| 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 | 24.5 | Very low | 26.4 | Very low | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | 0 | 81.8 | 0 | -141.6 | -177 | -85.4 | 0 | 0 | 110.2 | I1267 D1268 A1271 I1293 S1329 F1347 E1351 | M1-I1267 HydrophobicContact CB-CB 4.18Å; M1-I1267 HydrophobicContact CB-CG2 4.32Å; M1-I1267 HydrophobicContact CE-CG2 3.83Å; M1-I1267 HydrophobicContact CG-CB 3.24Å; M1-I1267 HydrophobicContact CG-CD1 4.41Å; M1-I1267 HydrophobicContact CG-CG1 4.35Å; M1-I1267 HydrophobicContact CG-CG2 3.21Å; M1-I1267 HydrophobicContact SD-CB 4.26Å; M1-I1267 HydrophobicContact SD-CG2 3.83Å; M1-D1268 VanDerWaalsContact C-OD2 3.31Å; M1-D1268 WeakPolarHBondContact CB-OD1 3.49Å; M1-D1268 HydrophobicContact CG-CB 4.4Å; M1-D1268 WeakPolarHBondContact CG-OD1 3.37Å; M1-D1268 VanDerWaalsContact O-CG 3.29Å; M1-D1268 VanDerWaalsContact SD-CA 3.56Å; M1-D1268 HydrophobicContact SD-CB 4.25Å; M1-D1268 VanDerWaalsContact SD-OD1 3.34Å; M1-A1271 HydrophobicContact CE-CB 4Å; M1-A1271 HydrophobicContact SD-CB 3.79Å; M1-I1293 HydrophobicContact CE-CD1 4.08Å; M1-S1329 WeakPolarHBondContact CE-OG 3.33Å; M1-F1347 HydrophobicContact CB-CD1 3.4Å; M1-F1347 VanDerWaalsContact CB-CD1 3.4Å; M1-F1347 HydrophobicContact CB-CE1 3.92Å; M1-F1347 HydrophobicContact CB-CG 4.03Å; M1-F1347 HydrophobicContact CE-CD1 4.04Å; M1-F1347 HydrophobicContact CE-CD2 4.06Å; M1-F1347 HydrophobicContact CE-CE1 3.49Å; M1-F1347 VanDerWaalsContact CE-CE1 3.49Å; M1-F1347 HydrophobicContact CE-CE2 3.46Å; M1-F1347 VanDerWaalsContact CE-CE2 3.46Å; M1-F1347 HydrophobicContact CE-CG 4.33Å; M1-F1347 HydrophobicContact CE-CZ 3.16Å; M1-F1347 HydrophobicContact CG-CD1 3.9Å; M1-F1347 HydrophobicContact CG-CE1 3.87Å; M1-F1347 HydrophobicContact SD-CD1 3.66Å; M1-F1347 HydrophobicContact SD-CE1 3Å; M1-F1347 WeakPolarHBondContact SD-CE1 3.39Å; M1-F1347 HydrophobicContact SD-CE2 4.17Å; M1-F1347 HydrophobicContact SD-CG 4.49Å; M1-F1347 HydrophobicContact SD-CZ 3.31Å; M1-F1347 WeakPolarHBondContact SD-CZ 3.22Å; M1-E1351 WeakPolarHBondContact CA-OE1 3.14Å; M1-E1351 PolarHBondContact N-OE1 2.91Å; M1-E1351 PolarHBondContact N-OE2 2.88Å; M1-E1351 WeakPolarHBondContact O-CB 3.45Å; M1-E1351 WeakPolarHBondContact O-CG 3.43Å; M1-E1351 VanDerWaalsContact O-OE1 3.06Å | |||
| 2 | T | 25.1 | Very low | 26.7 | Very low | 65 Ų | 65 | 35.8 Ų | 35.8 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | trans | -154.4 | 141.9 | 172 | 42.7 | 0 | 0 | 0 | 0 | 112.8 | D1268 Y1301 E1351 | T2-D1268 WeakPolarHBondContact CA-OD2 3.36Å; T2-Y1301 WeakPolarHBondContact O-CE2 3.4Å; T2-E1351 HydrophobicContact CG2-CB 4.05Å; T2-E1351 HydrophobicContact CG2-CG 3.53Å; T2-E1351 PolarHBondContact N-OE1 3.15Å; T2-E1351 PolarHBondContact OG1-OE1 3.21Å; T2-E1351 VanDerWaalsContact OG1-OE1 3.09Å | ||
| 3 | Q | 26.6 | Very low | 26.7 | Very low | 65 Ų | 65 | 36.7 Ų | 36.7 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | trans | 169.6 | 53.3 | 144 | 167.7 | -145.7 | -27.1 | 0 | 0 | 111.2 | D1265 S1266 G1299 Y1301 | Q3-D1265 CarbonylContact C-O 3.58Å; Q3-D1265 WeakPolarHBondContact CB-O 3.36Å; Q3-D1265 HydrophobicContact CG-CB 3.98Å; Q3-D1265 WeakPolarHBondContact CG-O 3.41Å; Q3-D1265 VanDerWaalsContact NE2-CB 3.27Å; Q3-D1265 PolarHBondContact NE2-O 3.17Å; Q3-D1265 PolarHBondContact NE2-OD1 2.69Å; Q3-D1265 VanDerWaalsContact NE2-OD1 3.1Å; Q3-D1265 CarbonylContact O-C 3.56Å; Q3-D1265 WeakPolarHBondContact O-CB 3.34Å; Q3-D1265 VanDerWaalsContact O-O 3.07Å; Q3-D1265 PolarHBondContact OE1-O 3.01Å; Q3-S1266 PolarHBondContact O-N 3.34Å; Q3-G1299 PolarHBondContact OE1-O 3.12Å; Q3-G1299 VanDerWaalsContact OE1-O 3.08Å; Q3-Y1301 HydrophobicContact CB-CE2 4.03Å; Q3-Y1301 VanDerWaalsContact OE1-CE2 3.25Å | ||
| 4 | Y | 29.4 | Very low | 26.8 | Very low | 54 Ų | 54 | 36.9 Ų | 36.9 | 21% | 0.212 | 25% | 0.25 | C | S | . | . | trans | -142.7 | 51 | 164.8 | -93.1 | -50.8 | 0 | 0 | 0 | 111.1 | F1264 D1265 S1269 | Y4-F1264 HydrophobicContact CE2-CB 4.05Å; Y4-F1264 HydrophobicContact CE2-CD1 4.27Å; Y4-D1265 HydrophobicContact CD1-CB 3.92Å; Y4-D1265 HydrophobicContact CD2-CB 4.23Å; Y4-D1265 HydrophobicContact CE1-CB 3.43Å; Y4-D1265 VanDerWaalsContact CE1-CB 3.43Å; Y4-D1265 WeakPolarHBondContact CE1-OD2 3.43Å; Y4-D1265 HydrophobicContact CE2-CB 3.83Å; Y4-D1265 HydrophobicContact CG-CB 4.27Å; Y4-D1265 VanDerWaalsContact CZ-OD2 3.24Å; Y4-D1265 PolarHBondContact OH-N 3.15Å; Y4-D1265 PolarHBondContact OH-OD2 2.81Å; Y4-S1269 WeakPolarHBondContact CD2-OG 3.29Å; Y4-S1269 VanDerWaalsContact CE2-OG 3.29Å; Y4-S1269 WeakPolarHBondContact CE2-OG 3.49Å | ||
| 5 | G | 25.3 | Very low | 26.9 | Very low | 29 Ų | 29 | 37.2 Ų | 37.2 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -123.3 | 37.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 6 | G | 25.2 | Very low | 26.9 | Very low | 43 Ų | 43 | 44.1 Ų | 44.1 | 44% | 0.443 | 27% | 0.27 | S | S | . | . | trans | 80.4 | 166.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | I8 | G6-I8 PolarHBondContact O-N 2.99Š| ||
| 7 | S | 25.2 | Very low | 26.8 | Very low | 40 Ų | 40 | 51.1 Ų | 51.1 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -72 | 82 | 170.5 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 8 | I | 24.1 | Very low | 26.7 | Very low | 41 Ų | 41 | 51.9 Ų | 51.9 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | trans | -154.6 | 123.5 | 161 | -92.6 | 108.4 | 0 | 0 | 0 | 111.3 | G6 F414 L420 | G6-I8 PolarHBondContact O-N 2.99Å; I8-F414 HydrophobicContact CD1-CD1 4.13Å; I8-F414 HydrophobicContact CD1-CE1 3.43Å; I8-F414 VanDerWaalsContact CD1-CE1 3.43Å; I8-F414 HydrophobicContact CD1-CE2 4.37Å; I8-F414 HydrophobicContact CD1-CZ 3.56Å; I8-F414 HydrophobicContact CG1-CD1 3.94Å; I8-F414 HydrophobicContact CG1-CE1 3.24Å; I8-F414 HydrophobicContact CG1-CZ 3.86Å; I8-L420 HydrophobicContact CB-CB 3.7Å; I8-L420 HydrophobicContact CB-CD2 4.41Å; I8-L420 HydrophobicContact CD1-CB 3.44Å; I8-L420 VanDerWaalsContact CD1-CB 3.44Å; I8-L420 HydrophobicContact CD1-CD1 3.5Å; I8-L420 VanDerWaalsContact CD1-CD1 3.5Å; I8-L420 HydrophobicContact CD1-CD2 3.97Å; I8-L420 HydrophobicContact CD1-CG 3.79Å; I8-L420 HydrophobicContact CG1-CB 3.68Å; I8-L420 HydrophobicContact CG2-CB 3.56Å; I8-L420 VanDerWaalsContact CG2-N 3.35Å | ||
| 9 | V | 28.4 | Very low | 26.7 | Very low | 75 Ų | 75 | 51.2 Ų | 51.2 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | -134.8 | 83.8 | 93.1 | -176.1 | 0 | 0 | 0 | 0 | 107 | G11 | V9-G11 PolarHBondContact O-N 3.13Š| |||
| 10 | Q | 28.5 | Very low | 26.7 | Very low | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | trans | -84.3 | 66.8 | 178.4 | -124.3 | 173.2 | 53.7 | 0 | 0 | 107.6 | V27 R398 V399 F414 G418 E1384 | Q10-V27 HydrophobicContact CG-CG1 4.2Å; Q10-R398 WeakPolarHBondContact O-CD 3.48Å; Q10-R398 PolarHBondContact O-NE 2.85Å; Q10-R398 PolarHBondContact O-NH2 3.46Å; Q10-R398 VanDerWaalsContact OE1-CB 3.27Å; Q10-V399 PolarHBondContact OE1-O 3.24Å; Q10-F414 HydrophobicContact CB-CD1 4.34Å; Q10-F414 HydrophobicContact CB-CE1 3.51Å; Q10-F414 HydrophobicContact CB-CZ 4.22Å; Q10-F414 HydrophobicContact CG-CE1 4.47Å; Q10-G418 CarbonylContact C-O 3.53Å; Q10-G418 CarbonylContact O-C 3.26Å; Q10-G418 WeakPolarHBondContact O-CA 3.29Å; Q10-E1384 PolarHBondContact NE2-OE1 3.25Å | ||
| 11 | G | 27.9 | Very low | 26.8 | Very low | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | trans | 47 | 126.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | V9 S26 R398 | V9-G11 PolarHBondContact O-N 3.13Å; G11-S26 WeakPolarHBondContact CA-OG 3.48Å; G11-S26 PolarHBondContact N-OG 3.16Å; G11-S26 VanDerWaalsContact N-OG 3.13Å; G11-R398 VanDerWaalsContact CA-NH2 3.3Å; G11-R398 PolarHBondContact O-NH2 3.13Å | ||
| 12 | S | 30.6 | Very low | 27 | Very low | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | trans | -75.1 | 157.3 | 160.8 | 117.7 | 0 | 0 | 0 | 0 | 113.7 | G14 S125 V417 | S12-G14 VanDerWaalsContact C-N 3.3Å; S12-G14 PolarHBondContact OG-N 3.09Å; S12-S125 VanDerWaalsContact CB-CA 3.41Å; S12-S125 WeakPolarHBondContact O-CB 3.41Å; S12-S125 PolarHBondContact O-OG 2.95Å; S12-S125 WeakPolarHBondContact OG-CA 3.49Å; S12-S125 VanDerWaalsContact OG-CB 3.28Å; S12-S125 WeakPolarHBondContact OG-CB 3.46Å; S12-S125 PolarHBondContact OG-N 3.31Å; S12-S125 PolarHBondContact OG-OG 2.86Å; S12-V417 WeakPolarHBondContact CA-O 3.36Å; S12-V417 VanDerWaalsContact CB-O 3.23Å; S12-V417 WeakPolarHBondContact CB-O 3.46Å; S12-V417 PolarHBondContact N-O 2.78Å | ||
| 13 | A | 26.9 | Very low | 27.2 | Very low | 47 Ų | 47 | 50.6 Ų | 50.6 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | S | Bend | 70.8 | -1 | 57.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | V417 | A13-V417 HydrophobicContact CB-CB 3.47Å; A13-V417 VanDerWaalsContact CB-CB 3.47Å; A13-V417 HydrophobicContact CB-CG1 3.48Å; A13-V417 VanDerWaalsContact CB-CG1 3.48Å | |
| 14 | G | 28.1 | Very low | 27.3 | Very low | 39 Ų | 39 | 48 Ų | 48 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | trans | -86.9 | -15.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S12 R16 S125 | S12-G14 VanDerWaalsContact C-N 3.3Å; S12-G14 PolarHBondContact OG-N 3.09Å; G14-R16 PolarHBondContact O-N 3Å; G14-S125 WeakPolarHBondContact CA-OG 3.48Å; G14-S125 PolarHBondContact N-OG 3.24Å | ||
| 15 | V | 28.5 | Very low | 27.6 | Very low | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -77.8 | 98.4 | 167.7 | 175.3 | 0 | 0 | 0 | 0 | 108 | I17 A19 A24 L396 | V15-I17 PolarHBondContact O-N 3.36Å; V15-A19 HydrophobicContact CG1-CB 3.84Å; V15-A24 HydrophobicContact CG2-CB 3.46Å; V15-A24 VanDerWaalsContact CG2-CB 3.46Å; V15-L396 HydrophobicContact CG1-CD1 4.46Å |
| 16 | R | 26.7 | Very low | 28.1 | Very low | 148 Ų | 148 | 44.4 Ų | 44.4 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | trans | -53.4 | 139.3 | 155.1 | -81.6 | -168.3 | -178.6 | 146.4 | 14.6 | 108 | G14 G18 A19 E113 | G14-R16 PolarHBondContact O-N 3Å; R16-G18 PolarHBondContact O-N 3.12Å; R16-G18 VanDerWaalsContact O-N 3.07Å; R16-A19 PolarHBondContact O-N 3.46Å; R16-E113 IonicContact CZ-OE1 2.96Å; R16-E113 IonicContact NH1-OE1 3.54Å; R16-E113 PolarHBondContact NH1-OE1 3.18Å; R16-E113 IonicContact NH2-OE1 3.73Å; R16-E113 PolarHBondContact NH2-OE1 3.48Å; R16-E113 IonicContact NH2-OE2 2.8Å | ||
| 17 | I | 25.5 | Very low | 28.7 | Very low | 162 Ų | 162 | 43.7 Ų | 43.7 | 83% | 0.831 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 118.6 | 168.7 | -59 | 172 | 0 | 0 | 0 | 106.9 | V15 | V15-I17 PolarHBondContact O-N 3.36Š|
| 18 | G | 24.7 | Very low | 29.1 | Very low | 67 Ų | 67 | 44.9 Ų | 44.9 | 69% | 0.691 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.3 | -0.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | R16 P20 | R16-G18 PolarHBondContact O-N 3.12Å; R16-G18 VanDerWaalsContact O-N 3.07Å; G18-P20 WeakPolarHBondContact O-CD 3.48Å; G18-P20 VanDerWaalsContact O-N 3.16Å |
| 19 | A | 27 | Very low | 29.2 | Very low | 38 Ų | 38 | 48.5 Ų | 48.5 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | trans | -65.5 | 111.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V15 R16 T21 | V15-A19 HydrophobicContact CG1-CB 3.84Å; R16-A19 PolarHBondContact O-N 3.46Å; A19-T21 PolarHBondContact O-N 3.18Å | ||
| 20 | P | 25.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 47.6 Ų | 47.6 | 70% | 0.701 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -0.7 | -162.7 | -22.5 | 35.2 | 0 | 0 | 0 | 116.5 | G18 K73 | G18-P20 WeakPolarHBondContact O-CD 3.48Å; G18-P20 VanDerWaalsContact O-N 3.16Å; P20-K73 PolarHBondContact O-NZ 3.38Å |
| 21 | T | 30.2 | Very low | 30 | Very low | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 1 | -170 | 84.6 | 0 | 0 | 0 | 0 | 116.2 | A19 V23 K73 T74 Y111 | A19-T21 PolarHBondContact O-N 3.18Å; T21-V23 VanDerWaalsContact O-CG2 3.31Å; T21-V23 WeakPolarHBondContact O-CG2 3.47Å; T21-V23 PolarHBondContact O-N 3.35Å; T21-K73 HydrophobicContact CG2-CB 3.87Å; T21-K73 HydrophobicContact CG2-CD 4.02Å; T21-K73 HydrophobicContact CG2-CG 4.31Å; T21-T74 HydrophobicContact CG2-CG2 4.33Å; T21-Y111 WeakPolarHBondContact CG2-OH 3.25Å; T21-Y111 WeakPolarHBondContact OG1-CE2 3.34Å; T21-Y111 PolarHBondContact OG1-OH 3.22Å |
| 22 | G | 27.5 | Very low | 31.1 | Very low | 21 Ų | 21 | 48.8 Ų | 48.8 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | trans | 19.8 | 82.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | A394 G395 | G22-A394 WeakPolarHBondContact O-CB 3.38Å; G22-G395 PolarHBondContact O-N 2.67Å; G22-G395 VanDerWaalsContact O-N 3.09Å | ||
| 23 | V | 30.3 | Very low | 32.3 | Very low | 15 Ų | 15 | 51.1 Ų | 51.1 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | trans | -133.9 | 39.1 | 166 | -152.6 | 0 | 0 | 0 | 0 | 112.7 | T21 C25 Y70 | T21-V23 VanDerWaalsContact O-CG2 3.31Å; T21-V23 WeakPolarHBondContact O-CG2 3.47Å; T21-V23 PolarHBondContact O-N 3.35Å; V23-C25 PolarHBondContact O-N 3.3Å; V23-C25 VanDerWaalsContact O-N 3.14Å; V23-Y70 HydrophobicContact CB-CE1 4.25Å; V23-Y70 HydrophobicContact CG1-CD1 4.05Å; V23-Y70 HydrophobicContact CG1-CE1 3.37Å; V23-Y70 HydrophobicContact CG2-CE1 3.75Å | ||
| 24 | A | 28.5 | Very low | 34 | Very low | 10 Ų | 10 | 49.5 Ų | 49.5 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | trans | -83.6 | 54 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V15 S26 G395 R398 | V15-A24 HydrophobicContact CG2-CB 3.46Å; V15-A24 VanDerWaalsContact CG2-CB 3.46Å; A24-S26 PolarHBondContact O-OG 2.96Å; A24-G395 VanDerWaalsContact C-CA 3.47Å; A24-G395 CarbonylContact C-O 3.59Å; A24-G395 VanDerWaalsContact C-O 3.26Å; A24-G395 CarbonylContact O-C 3.54Å; A24-G395 VanDerWaalsContact O-C 3.27Å; A24-R398 PolarHBondContact O-NH2 3.4Å | ||
| 25 | C | 36.1 | Very low | 35.6 | Very low | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | trans | -110.5 | 67.6 | 164.8 | -145.6 | 0 | 0 | 0 | 0 | 109.3 | V23 V27 L42 G395 R398 | V23-C25 PolarHBondContact O-N 3.3Å; V23-C25 VanDerWaalsContact O-N 3.14Å; C25-V27 PolarHBondContact O-N 3.46Å; C25-V27 WeakPolarHBondContact SG-CG2 3.19Å; C25-L42 HydrophobicContact CB-CD2 4.28Å; C25-G395 VanDerWaalsContact CA-O 3.27Å; C25-G395 WeakPolarHBondContact CA-O 3.36Å; C25-G395 WeakPolarHBondContact CB-O 3.3Å; C25-G395 PolarHBondContact N-O 2.95Å; C25-G395 PolarHBondContact SG-O 2.96Å; C25-R398 PolarHBondContact SG-NH1 3.19Å; C25-R398 VanDerWaalsContact SG-NH1 3.44Å | ||
| 26 | S | 35.1 | Very low | 37.3 | Very low | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | -8.5 | 72.6 | 106.6 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | G11 A24 | G11-S26 WeakPolarHBondContact CA-OG 3.48Å; G11-S26 PolarHBondContact N-OG 3.16Å; G11-S26 VanDerWaalsContact N-OG 3.13Å; A24-S26 PolarHBondContact O-OG 2.96Å | |||
| 27 | V | 37.9 | Very low | 39.4 | Very low | 28 Ų | 28 | 43.4 Ų | 43.4 | 17% | 0.17 | 30% | 0.296 | C | S | . | . | trans | -122.2 | 106.6 | 135.8 | -134.6 | 0 | 0 | 0 | 0 | 104.6 | Q10 C25 L41 | Q10-V27 HydrophobicContact CG-CG1 4.2Å; C25-V27 PolarHBondContact O-N 3.46Å; C25-V27 WeakPolarHBondContact SG-CG2 3.19Å; V27-L41 HydrophobicContact CG2-CD1 3.82Å | ||
| 28 | C | 32.7 | Very low | 42.1 | Very low | 64 Ų | 64 | 35.7 Ų | 35.7 | 43% | 0.432 | 26% | 0.256 | S | S | . | . | trans | -50.2 | 175.7 | -174.7 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | G30 G31 | C28-G30 PolarHBondContact O-N 2.84Å; C28-G31 PolarHBondContact O-N 3.39Å | ||
| 29 | P | 26.6 | Very low | 44.6 | Very low | 118 Ų | 118 | 32.9 Ų | 32.9 | 77% | 0.766 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | 118 | 152.2 | -22.9 | 34 | 0 | 0 | 0 | 108.6 | ||
| 30 | G | 32.5 | Very low | 47.3 | Very low | 56 Ų | 56 | 31 Ų | 31 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | 4.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | C28 | C28-G30 PolarHBondContact O-N 2.84Š|
| 31 | G | 40.8 | Very low | 49.8 | Very low | 8 Ų | 8 | 26.8 Ų | 26.8 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -62.4 | 159.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C28 T33 | C28-G31 PolarHBondContact O-N 3.39Å; G31-T33 WeakPolarHBondContact O-CG2 3.36Å; G31-T33 PolarHBondContact O-N 2.97Å |
| 32 | V | 52.4 | Low | 51.9 | Low | 21 Ų | 21 | 27.6 Ų | 27.6 | 13% | 0.127 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -52.6 | 102.7 | -175.3 | -175 | 0 | 0 | 0 | 0 | 110.4 | P40 L388 V399 | V32-P40 HydrophobicContact CG1-CG 4.23Å; V32-P40 VanDerWaalsContact O-CD 3.29Å; V32-P40 WeakPolarHBondContact O-CD 3.46Å; V32-L388 HydrophobicContact CG1-CD1 3.72Å; V32-V399 HydrophobicContact CG2-CG2 4.24Å |
| 33 | T | 54.3 | Low | 54.6 | Low | 53 Ų | 53 | 26.7 Ų | 26.7 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | trans | -113.8 | 128.9 | 176.4 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | G31 V38 | G31-T33 WeakPolarHBondContact O-CG2 3.36Å; G31-T33 PolarHBondContact O-N 2.97Å; T33-V38 CarbonylContact C-O 3.54Å; T33-V38 WeakPolarHBondContact CA-O 3.48Å | ||
| 34 | S | 63.1 | Low | 57 | Low | 13 Ų | 13 | 26 Ų | 26 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -103.3 | 145.9 | 169.3 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | H36 V38 Y367 Y369 I378 | S34-H36 PolarHBondContact O-N 3.34Å; S34-V38 PolarHBondContact N-O 3.35Å; S34-V38 PolarHBondContact O-N 3.36Å; S34-Y367 WeakPolarHBondContact OG-CD1 3.35Å; S34-Y369 WeakPolarHBondContact CB-OH 3.19Å; S34-Y369 PolarHBondContact O-OH 3.45Å; S34-Y369 PolarHBondContact OG-OH 3.33Å; S34-I378 VanDerWaalsContact OG-CG2 3.29Å; S34-I378 WeakPolarHBondContact OG-CG2 3.18Å |
| 35 | G | 60.7 | Low | 59.9 | Low | 10 Ų | 10 | 25.5 Ų | 25.5 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 4.4 | 179 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q359 Y367 | G35-Q359 PolarHBondContact O-NE2 3.26Å; G35-Y367 VanDerWaalsContact CA-CZ 3.46Å |
| 36 | H | 64.8 | Low | 61.8 | Low | 83 Ų | 83 | 26.8 Ų | 26.8 | 38% | 0.384 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 37 | 75.7 | -176.4 | -59.6 | 87.5 | 0 | 0 | 0 | 112 | S34 | S34-H36 PolarHBondContact O-N 3.34Š|
| 37 | P | 70.2 | Confident | 63.8 | Low | 8 Ų | 8 | 27.2 Ų | 27.2 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | -150.6 | 51.2 | 62.6 | 41.2 | -19.5 | 0 | 0 | 0 | 114.1 | K45 V46 L47 Y348 | P37-K45 HydrophobicContact CG-CD 4.42Å; P37-V46 WeakPolarHBondContact CB-O 3.45Å; P37-V46 PolarHBondContact O-N 3.47Å; P37-V46 VanDerWaalsContact O-O 3.14Å; P37-L47 HydrophobicContact CB-CD2 3.88Å; P37-L47 HydrophobicContact CG-CD2 3.93Å; P37-Y348 WeakPolarHBondContact CD-OH 3.48Å; P37-Y348 WeakPolarHBondContact CG-OH 3.36Å | |
| 38 | V | 82.5 | Confident | 64.9 | Low | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.2 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 110 | T33 S34 P40 Y348 V356 Q359 Y369 | T33-V38 CarbonylContact C-O 3.54Å; T33-V38 WeakPolarHBondContact CA-O 3.48Å; S34-V38 PolarHBondContact N-O 3.35Å; S34-V38 PolarHBondContact O-N 3.36Å; V38-P40 WeakPolarHBondContact O-CD 3.31Å; V38-Y348 HydrophobicContact CG2-CD1 4.12Å; V38-Y348 HydrophobicContact CG2-CE1 3.9Å; V38-V356 HydrophobicContact CG1-CB 3.98Å; V38-V356 HydrophobicContact CG1-CG1 4.05Å; V38-V356 HydrophobicContact CG1-CG2 4.37Å; V38-V356 HydrophobicContact CG2-CG1 3.93Å; V38-Q359 HydrophobicContact CG2-CB 4.25Å; V38-Y369 HydrophobicContact CB-CE2 4.18Å; V38-Y369 WeakPolarHBondContact CB-OH 3.05Å; V38-Y369 HydrophobicContact CG1-CD2 4.4Å; V38-Y369 HydrophobicContact CG1-CE1 4.06Å; V38-Y369 HydrophobicContact CG1-CE2 3.87Å; V38-Y369 HydrophobicContact CG2-CE2 4.23Å |
| 39 | N | 78.8 | Confident | 66.5 | Low | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 99.8 | 169.7 | -179.1 | -50.4 | 0 | 0 | 0 | 108.8 | L41 L42 G43 A44 V46 | N39-L41 VanDerWaalsContact C-N 3.31Å; N39-L41 PolarHBondContact O-N 2.94Å; N39-L41 WeakPolarHBondContact OD1-CB 3.42Å; N39-L41 PolarHBondContact OD1-N 3.26Å; N39-L41 VanDerWaalsContact OD1-N 3.07Å; N39-L42 PolarHBondContact O-N 3.38Å; N39-L42 PolarHBondContact OD1-N 3.42Å; N39-G43 WeakPolarHBondContact O-CA 3.25Å; N39-G43 PolarHBondContact O-N 2.76Å; N39-G43 VanDerWaalsContact O-N 3.08Å; N39-A44 PolarHBondContact N-O 2.96Å; N39-A44 PolarHBondContact O-N 3.09Å; N39-V46 HydrophobicContact CB-CG2 4.03Å |
| 40 | P | 82.9 | Confident | 68.7 | Low | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.8 | 176.3 | 15 | -32.5 | 0 | 0 | 0 | 114.6 | V32 V38 L42 G43 Y369 Y371 I376 I378 L388 | V32-P40 HydrophobicContact CG1-CG 4.23Å; V32-P40 VanDerWaalsContact O-CD 3.29Å; V32-P40 WeakPolarHBondContact O-CD 3.46Å; V38-P40 WeakPolarHBondContact O-CD 3.31Å; P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.17Å; P40-G43 PolarHBondContact O-N 2.9Å; P40-Y369 HydrophobicContact CB-CD1 4.37Å; P40-Y371 WeakPolarHBondContact O-CE1 3.35Å; P40-I376 HydrophobicContact CB-CD1 4.34Å; P40-I376 HydrophobicContact CB-CG2 3.97Å; P40-I378 HydrophobicContact CB-CD1 4.15Å; P40-I378 HydrophobicContact CG-CD1 3.9Å; P40-L388 HydrophobicContact CB-CD1 4.24Å; P40-L388 HydrophobicContact CG-CD1 3.88Å |
| 41 | L | 77.6 | Confident | 71.1 | Confident | 18 Ų | 18 | 23.1 Ų | 23.1 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -41.1 | -177.2 | -72.7 | 165.2 | 0 | 0 | 0 | 113.4 | V27 N39 G43 I376 T390 K397 V399 | V27-L41 HydrophobicContact CG2-CD1 3.82Å; N39-L41 VanDerWaalsContact C-N 3.31Å; N39-L41 PolarHBondContact O-N 2.94Å; N39-L41 WeakPolarHBondContact OD1-CB 3.42Å; N39-L41 PolarHBondContact OD1-N 3.26Å; N39-L41 VanDerWaalsContact OD1-N 3.07Å; L41-G43 VanDerWaalsContact C-N 3.3Å; L41-I376 HydrophobicContact CD2-CD1 4.03Å; L41-T390 HydrophobicContact CD2-CG2 3.73Å; L41-K397 HydrophobicContact CD2-CG 4.12Å; L41-V399 HydrophobicContact CD1-CG2 3.47Å; L41-V399 VanDerWaalsContact CD1-CG2 3.47Å; L41-V399 HydrophobicContact CD2-CG2 3.23Å; L41-V399 HydrophobicContact CG-CG2 3.56Å |
| 42 | L | 73.8 | Confident | 73.4 | Confident | 36 Ų | 36 | 24.4 Ų | 24.4 | 19% | 0.188 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.9 | 175.6 | -62.5 | 179.1 | 0 | 0 | 0 | 112.3 | C25 N39 P40 A44 V46 Y70 | C25-L42 HydrophobicContact CB-CD2 4.28Å; N39-L42 PolarHBondContact O-N 3.38Å; N39-L42 PolarHBondContact OD1-N 3.42Å; P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.17Å; L42-A44 HydrophobicContact CB-CB 3.63Å; L42-A44 HydrophobicContact CD1-CB 4.45Å; L42-A44 PolarHBondContact O-N 3.46Å; L42-V46 HydrophobicContact CD1-CG2 4.48Å; L42-Y70 HydrophobicContact CB-CD2 3.96Å; L42-Y70 HydrophobicContact CB-CE2 4.5Å; L42-Y70 HydrophobicContact CD2-CD2 4.12Å; L42-Y70 HydrophobicContact CD2-CE2 4.08Å |
| 43 | G | 84.4 | Confident | 75 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 25.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N39 P40 L41 R355 V356 Y371 | N39-G43 WeakPolarHBondContact O-CA 3.25Å; N39-G43 PolarHBondContact O-N 2.76Å; N39-G43 VanDerWaalsContact O-N 3.08Å; P40-G43 PolarHBondContact O-N 2.9Å; L41-G43 VanDerWaalsContact C-N 3.3Å; G43-R355 CarbonylContact O-C 3.49Å; G43-R355 WeakPolarHBondContact O-CA 3.33Å; G43-V356 PolarHBondContact O-N 3.21Å; G43-Y371 WeakPolarHBondContact CA-OH 3.28Å |
| 44 | A | 82.1 | Confident | 76.4 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N39 L42 V46 S69 | N39-A44 PolarHBondContact N-O 2.96Å; N39-A44 PolarHBondContact O-N 3.09Å; L42-A44 HydrophobicContact CB-CB 3.63Å; L42-A44 HydrophobicContact CD1-CB 4.45Å; L42-A44 PolarHBondContact O-N 3.46Å; A44-V46 HydrophobicContact CB-CG2 3.86Å; A44-V46 PolarHBondContact O-N 3.43Å; A44-S69 WeakPolarHBondContact CA-OG 3.31Å |
| 45 | K | 88.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 118.2 | 160.6 | -173.4 | -64.4 | -151.8 | 155.6 | 0 | 106.4 | P37 Y67 S69 M335 Y348 V356 | P37-K45 HydrophobicContact CG-CD 4.42Å; K45-Y67 HydrophobicContact CD-CD1 3.76Å; K45-Y67 HydrophobicContact CD-CE1 3.97Å; K45-S69 PolarHBondContact N-OG 2.85Å; K45-S69 PolarHBondContact O-N 3.23Å; K45-M335 WeakPolarHBondContact CE-SD 3.37Å; K45-M335 PolarHBondContact NZ-SD 2.94Å; K45-Y348 HydrophobicContact CD-CE2 4.37Å; K45-Y348 HydrophobicContact CG-CD1 4.05Å; K45-Y348 HydrophobicContact CG-CD2 3.97Å; K45-Y348 HydrophobicContact CG-CE1 3.7Å; K45-Y348 HydrophobicContact CG-CE2 3.62Å; K45-Y348 HydrophobicContact CG-CG 4.18Å; K45-Y348 VanDerWaalsContact CG-CZ 3.47Å; K45-V356 HydrophobicContact CB-CG2 3.94Å |
| 46 | V | 76.9 | Confident | 78.2 | Confident | 33 Ų | 33 | 25.6 Ų | 25.6 | 20% | 0.2 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 110.2 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | P37 N39 L42 A44 P48 Y67 | P37-V46 WeakPolarHBondContact CB-O 3.45Å; P37-V46 PolarHBondContact O-N 3.47Å; P37-V46 VanDerWaalsContact O-O 3.14Å; N39-V46 HydrophobicContact CB-CG2 4.03Å; L42-V46 HydrophobicContact CD1-CG2 4.48Å; A44-V46 HydrophobicContact CB-CG2 3.86Å; A44-V46 PolarHBondContact O-N 3.43Å; V46-P48 WeakPolarHBondContact O-CD 3.42Å; V46-Y67 CarbonylContact C-O 3.5Å; V46-Y67 VanDerWaalsContact CA-O 3.28Å; V46-Y67 WeakPolarHBondContact CA-O 3.41Å |
| 47 | L | 76.9 | Confident | 79 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.2 | 164 | -75.9 | 164.5 | 0 | 0 | 0 | 107.7 | P37 E50 T66 Y67 W85 F325 | P37-L47 HydrophobicContact CB-CD2 3.88Å; P37-L47 HydrophobicContact CG-CD2 3.93Å; L47-E50 WeakPolarHBondContact CD1-OE1 3.37Å; L47-E50 WeakPolarHBondContact CD2-OE1 3.46Å; L47-T66 WeakPolarHBondContact O-CG2 3.17Å; L47-Y67 PolarHBondContact N-O 3.26Å; L47-Y67 PolarHBondContact O-N 3.21Å; L47-W85 HydrophobicContact CD1-CH2 4.03Å; L47-F325 HydrophobicContact CD1-CE1 4.22Å |
| 48 | P | 60.6 | Low | 79.5 | Confident | 51 Ų | 51 | 23 Ų | 23 | 33% | 0.331 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 161.8 | 167.1 | 30.2 | -35 | 0 | 0 | 0 | 109.6 | V46 E50 N1297 | V46-P48 WeakPolarHBondContact O-CD 3.42Å; P48-E50 PolarHBondContact O-N 2.87Å; P48-N1297 WeakPolarHBondContact CG-O 3.43Å |
| 49 | G | 65.8 | Low | 79.7 | Confident | 40 Ų | 40 | 24.2 Ų | 24.2 | 41% | 0.412 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 110.6 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 50 | E | 73.6 | Confident | 80.2 | Confident | 13 Ų | 13 | 25.7 Ų | 25.7 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.8 | 177.2 | -58.9 | -178.6 | 157.6 | 0 | 0 | 109.6 | L47 P48 D52 S64 R65 R323 | L47-E50 WeakPolarHBondContact CD1-OE1 3.37Å; L47-E50 WeakPolarHBondContact CD2-OE1 3.46Å; P48-E50 PolarHBondContact O-N 2.87Å; E50-D52 PolarHBondContact O-N 2.91Å; E50-S64 CarbonylContact O-C 3.51Å; E50-S64 WeakPolarHBondContact O-CA 3.21Å; E50-R65 PolarHBondContact N-O 2.85Å; E50-R65 PolarHBondContact O-N 3.45Å; E50-R65 IonicContact OE2-CZ 2.86Å; E50-R65 IonicContact OE2-NH1 2.91Å; E50-R65 PolarHBondContact OE2-NH1 2.9Å; E50-R65 IonicContact OE2-NH2 2.85Å; E50-R65 PolarHBondContact OE2-NH2 3.27Å; E50-R323 IonicContact OE1-CZ 3.3Å; E50-R323 IonicContact OE1-NH1 3.12Å; E50-R323 PolarHBondContact OE1-NH1 2.75Å; E50-R323 IonicContact OE1-NH2 3.35Å; E50-R323 PolarHBondContact OE1-NH2 3.02Å; E50-R323 IonicContact OE2-CZ 3.6Å; E50-R323 IonicContact OE2-NH1 2.7Å; E50-R323 PolarHBondContact OE2-NH1 3.19Å; E50-R323 VanDerWaalsContact OE2-NH1 3.11Å; E50-R323 IonicContact OE2-NH2 2.97Å |
| 51 | T | 81.9 | Confident | 80.5 | Confident | 77 Ų | 77 | 26 Ų | 26 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116 | 178.2 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | A54 I62 S64 | T51-A54 HydrophobicContact CG2-CB 3.86Å; T51-I62 HydrophobicContact CG2-CG2 3.91Å; T51-S64 PolarHBondContact OG1-OG 3.03Å |
| 52 | D | 89.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 28.2 Ų | 28.2 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -33.2 | 173 | -60.3 | -29.6 | 0 | 0 | 0 | 112 | E50 L63 R65 V301 Y303 | E50-D52 PolarHBondContact O-N 2.91Å; D52-L63 HydrophobicContact CB-CD2 4.35Å; D52-L63 PolarHBondContact N-O 3.33Å; D52-R65 VanDerWaalsContact CG-NE 3.26Å; D52-R65 IonicContact OD1-CZ 3.35Å; D52-R65 VanDerWaalsContact OD1-CZ 3.29Å; D52-R65 IonicContact OD1-NE 3.88Å; D52-R65 PolarHBondContact OD1-NE 3.49Å; D52-R65 IonicContact OD1-NH2 2.75Å; D52-R65 PolarHBondContact OD1-NH2 2.88Å; D52-R65 WeakPolarHBondContact OD2-CD 3.43Å; D52-R65 WeakPolarHBondContact OD2-CG 3.47Å; D52-R65 IonicContact OD2-CZ 3.7Å; D52-R65 IonicContact OD2-NE 3.86Å; D52-R65 PolarHBondContact OD2-NE 3.25Å; D52-R65 IonicContact OD2-NH2 2.8Å; D52-V301 HydrophobicContact CB-CG2 3.89Å; D52-Y303 VanDerWaalsContact OD2-CE1 3.24Å; D52-Y303 WeakPolarHBondContact OD2-CE1 3.33Å; D52-Y303 PolarHBondContact OD2-OH 3.32Å |
| 53 | I | 87.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.4 | 175.3 | -60.8 | 170.1 | 0 | 0 | 0 | 109.1 | I62 L63 V283 L300 V301 | I53-I62 WeakPolarHBondContact O-CA 3.16Å; I53-L63 HydrophobicContact CB-CB 4.35Å; I53-L63 PolarHBondContact N-O 3.5Å; I53-L63 PolarHBondContact O-N 3.11Å; I53-V283 HydrophobicContact CD1-CB 3.58Å; I53-V283 HydrophobicContact CD1-CG1 3.77Å; I53-V283 HydrophobicContact CD1-CG2 3.97Å; I53-L300 HydrophobicContact CD1-CB 3.52Å; I53-L300 HydrophobicContact CD1-CD1 4.43Å; I53-L300 HydrophobicContact CG1-CB 3.97Å; I53-L300 HydrophobicContact CG2-CD1 4.05Å; I53-V301 HydrophobicContact CD1-CB 3.72Å; I53-V301 HydrophobicContact CD1-CG1 3.4Å; I53-V301 VanDerWaalsContact CD1-CG1 3.4Å; I53-V301 HydrophobicContact CG1-CB 3.86Å; I53-V301 HydrophobicContact CG1-CG1 4Å |
| 54 | A | 83.5 | Confident | 81.6 | Confident | 55 Ų | 55 | 27.4 Ų | 27.4 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | trans | -141.9 | 144.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T51 I62 | T51-A54 HydrophobicContact CG2-CB 3.86Å; A54-I62 HydrophobicContact CB-CG1 4.05Å; A54-I62 HydrophobicContact CB-CG2 4.34Å | ||
| 55 | L | 84.2 | Confident | 81.9 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | trans | -132.3 | 142.6 | 168.5 | -63.4 | 179.2 | 0 | 0 | 0 | 107.4 | P60 R232 F234 L285 L300 F546 | L55-P60 VanDerWaalsContact O-CB 3.26Å; L55-P60 WeakPolarHBondContact O-CB 3.43Å; L55-R232 PolarHBondContact O-NH2 3.49Å; L55-F234 HydrophobicContact CD1-CE1 3.88Å; L55-F234 HydrophobicContact CD1-CZ 4.06Å; L55-L285 HydrophobicContact CD1-CD2 4.3Å; L55-L300 HydrophobicContact CD1-CD1 4.2Å; L55-F546 HydrophobicContact CD2-CB 4.33Å; L55-F546 HydrophobicContact CD2-CD1 4.33Å | ||
| 56 | P | 77.1 | Confident | 81.7 | Confident | 45 Ų | 45 | 28.6 Ų | 28.6 | 29% | 0.292 | 19% | 0.187 | S | C | . | . | trans | -62.9 | 150.4 | -176.7 | 27.6 | -35.7 | 0 | 0 | 0 | 111.6 | R232 Y525 Q527 | P56-R232 PolarHBondContact O-NH1 2.97Å; P56-R232 PolarHBondContact O-NH2 3Å; P56-Y525 CarbonylContact C-O 3.53Å; P56-Y525 WeakPolarHBondContact O-CB 3.42Å; P56-Q527 HydrophobicContact CB-CG 4.2Å; P56-Q527 HydrophobicContact CG-CG 4.13Å | ||
| 57 | G | 81.3 | Confident | 82.2 | Confident | 17 Ų | 17 | 27 Ų | 27 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 153.9 | 160.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P60 Y525 | G57-P60 WeakPolarHBondContact O-CB 3.38Å; G57-P60 WeakPolarHBondContact O-CD 3.48Å; G57-P60 WeakPolarHBondContact O-CG 3.29Å; G57-Y525 VanDerWaalsContact CA-O 3.28Å; G57-Y525 WeakPolarHBondContact CA-O 3.35Å; G57-Y525 PolarHBondContact N-O 3.46Å; G57-Y525 VanDerWaalsContact N-O 3.15Å |
| 58 | P | 80.3 | Confident | 82.5 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 13% | 0.13 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -64.9 | 135.7 | 169.1 | 27.8 | -35.4 | 0 | 0 | 0 | 110.9 | G229 A230 R524 | P58-G229 CarbonylContact O-C 3.59Å; P58-G229 WeakPolarHBondContact O-CA 3.45Å; P58-G229 PolarHBondContact O-N 3.18Å; P58-A230 HydrophobicContact CG-CB 4.39Å; P58-R524 VanDerWaalsContact CD-O 3.3Å; P58-R524 WeakPolarHBondContact CD-O 3.24Å |
| 59 | L | 87.2 | Confident | 83.8 | Confident | 25 Ų | 25 | 25.2 Ų | 25.2 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 39.5 | 61.2 | -168.8 | -64.9 | 177 | 0 | 0 | 0 | 112.4 | P171 L201 D203 R207 Q209 G229 | L59-P171 HydrophobicContact CD2-CB 4.09Å; L59-P171 HydrophobicContact CD2-CG 4.34Å; L59-L201 HydrophobicContact CD1-CB 4.23Å; L59-L201 HydrophobicContact CD2-CB 4.33Å; L59-L201 HydrophobicContact CD2-CD1 4.42Å; L59-D203 HydrophobicContact CD1-CB 3.98Å; L59-D203 HydrophobicContact CD2-CB 4.2Å; L59-D203 HydrophobicContact CG-CB 4.12Å; L59-R207 WeakPolarHBondContact CD1-O 3.46Å; L59-Q209 HydrophobicContact CB-CB 4.2Å; L59-Q209 PolarHBondContact O-NE2 3.35Å; L59-G229 PolarHBondContact O-N 2.94Å; L59-G229 VanDerWaalsContact O-N 3.15Å |
| 60 | P | 88.4 | Confident | 84.4 | Confident | 39 Ų | 39 | 26.6 Ų | 26.6 | 25% | 0.253 | 16% | 0.16 | S | C | . | . | trans | -69 | 145.6 | -172.2 | 28.9 | -29.1 | 0 | 0 | 0 | 110 | L55 G57 I62 Q209 | L55-P60 VanDerWaalsContact O-CB 3.26Å; L55-P60 WeakPolarHBondContact O-CB 3.43Å; G57-P60 WeakPolarHBondContact O-CB 3.38Å; G57-P60 WeakPolarHBondContact O-CD 3.48Å; G57-P60 WeakPolarHBondContact O-CG 3.29Å; P60-I62 HydrophobicContact CB-CG1 4.32Å; P60-I62 HydrophobicContact CG-CD1 3.99Å; P60-I62 HydrophobicContact CG-CG1 4.01Å; P60-I62 PolarHBondContact O-N 3.41Å; P60-Q209 PolarHBondContact O-NE2 2.87Å | ||
| 61 | F | 89 | Confident | 84.5 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | trans | -73.9 | 96.9 | 169.9 | 176.2 | -125.5 | 0 | 0 | 0 | 109.3 | L63 F211 V226 D228 F234 L236 V283 | F61-L63 HydrophobicContact CE1-CB 4.4Å; F61-L63 HydrophobicContact CE1-CD1 4.48Å; F61-L63 HydrophobicContact CE2-CB 4.4Å; F61-L63 HydrophobicContact CE2-CD1 4.22Å; F61-L63 HydrophobicContact CZ-CB 4Å; F61-L63 HydrophobicContact CZ-CD1 3.6Å; F61-L63 HydrophobicContact CZ-CG 4.43Å; F61-F211 HydrophobicContact CE2-CE1 4.33Å; F61-V226 HydrophobicContact CB-CG1 4.19Å; F61-V226 HydrophobicContact CD1-CB 4.48Å; F61-V226 HydrophobicContact CD2-CB 4.13Å; F61-V226 HydrophobicContact CD2-CG1 3.75Å; F61-V226 HydrophobicContact CD2-CG2 4.06Å; F61-V226 HydrophobicContact CE1-CG2 4.47Å; F61-V226 HydrophobicContact CE2-CB 4.3Å; F61-V226 HydrophobicContact CE2-CG1 4.31Å; F61-V226 HydrophobicContact CE2-CG2 3.75Å; F61-V226 HydrophobicContact CG-CB 4.22Å; F61-V226 HydrophobicContact CG-CG1 3.95Å; F61-V226 HydrophobicContact CZ-CG2 3.95Å; F61-D228 HydrophobicContact CB-CB 4.09Å; F61-F234 HydrophobicContact CB-CD2 3.9Å; F61-F234 HydrophobicContact CB-CE2 3.68Å; F61-F234 HydrophobicContact CB-CZ 4.19Å; F61-F234 HydrophobicContact CD1-CB 3.99Å; F61-F234 AromaticContact CD1-CD1 3.81Å; F61-F234 HydrophobicContact CD1-CD1 3.81Å; F61-F234 AromaticContact CD1-CD2 3.65Å; F61-F234 HydrophobicContact CD1-CD2 3.65Å; F61-F234 HydrophobicContact CD1-CE1 4.17Å; F61-F234 HydrophobicContact CD1-CE2 4.06Å; F61-F234 AromaticContact CD1-CG 3.53Å; F61-F234 HydrophobicContact CD1-CG 3.53Å; F61-F234 HydrophobicContact CD1-CZ 4.29Å; F61-F234 HydrophobicContact CE1-CB 4.09Å; F61-F234 HydrophobicContact CE1-CD1 4.35Å; F61-F234 HydrophobicContact CE1-CG 4.09Å; F61-F234 HydrophobicContact CG-CD2 4.1Å; F61-F234 HydrophobicContact CG-CE2 4.32Å; F61-F234 HydrophobicContact CG-CG 4.41Å; F61-L236 HydrophobicContact CE1-CD1 4.37Å; F61-L236 HydrophobicContact CZ-CD1 4.21Å; F61-V283 HydrophobicContact CE1-CG1 4.09Å | ||
| 62 | I | 87.3 | Confident | 83.9 | Confident | 65 Ų | 65 | 27.6 Ų | 27.6 | 33% | 0.333 | 16% | 0.157 | S | C | . | . | trans | -98.1 | 120.5 | 171.9 | -58.1 | 177.4 | 0 | 0 | 0 | 107.8 | T51 I53 A54 P60 S64 | T51-I62 HydrophobicContact CG2-CG2 3.91Å; I53-I62 WeakPolarHBondContact O-CA 3.16Å; A54-I62 HydrophobicContact CB-CG1 4.05Å; A54-I62 HydrophobicContact CB-CG2 4.34Å; P60-I62 HydrophobicContact CB-CG1 4.32Å; P60-I62 HydrophobicContact CG-CD1 3.99Å; P60-I62 HydrophobicContact CG-CG1 4.01Å; P60-I62 PolarHBondContact O-N 3.41Å; I62-S64 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 63 | L | 88.4 | Confident | 83 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 95.4 | 172.1 | -167.9 | 123.1 | 0 | 0 | 0 | 109.4 | D52 I53 F61 M87 L280 Y303 | D52-L63 HydrophobicContact CB-CD2 4.35Å; D52-L63 PolarHBondContact N-O 3.33Å; I53-L63 HydrophobicContact CB-CB 4.35Å; I53-L63 PolarHBondContact N-O 3.5Å; I53-L63 PolarHBondContact O-N 3.11Å; F61-L63 HydrophobicContact CE1-CB 4.4Å; F61-L63 HydrophobicContact CE1-CD1 4.48Å; F61-L63 HydrophobicContact CE2-CB 4.4Å; F61-L63 HydrophobicContact CE2-CD1 4.22Å; F61-L63 HydrophobicContact CZ-CB 4Å; F61-L63 HydrophobicContact CZ-CD1 3.6Å; F61-L63 HydrophobicContact CZ-CG 4.43Å; L63-M87 HydrophobicContact CD1-SD 4.15Å; L63-L280 HydrophobicContact CD1-CD2 4.21Å; L63-Y303 HydrophobicContact CD2-CE2 4.49Å; L63-Y303 WeakPolarHBondContact CD2-OH 3.17Å |
| 64 | S | 84.7 | Confident | 82.4 | Confident | 19 Ų | 19 | 33.1 Ų | 33.1 | 13% | 0.133 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 146.6 | 171.9 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | E50 T51 I62 M87 P88 | E50-S64 CarbonylContact O-C 3.51Å; E50-S64 WeakPolarHBondContact O-CA 3.21Å; T51-S64 PolarHBondContact OG1-OG 3.03Å; I62-S64 WeakPolarHBondContact CG2-OG 3.37Å; S64-M87 WeakPolarHBondContact O-CA 3.44Å; S64-P88 VanDerWaalsContact O-CD 3.25Å; S64-P88 WeakPolarHBondContact O-CD 3.41Å |
| 65 | R | 88.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.3 | 177.4 | -58.6 | -174.4 | -76.9 | 86.1 | 22.5 | 110.6 | E50 D52 L81 W85 | E50-R65 PolarHBondContact N-O 2.85Å; E50-R65 PolarHBondContact O-N 3.45Å; E50-R65 IonicContact OE2-CZ 2.86Å; E50-R65 IonicContact OE2-NH1 2.91Å; E50-R65 PolarHBondContact OE2-NH1 2.9Å; E50-R65 IonicContact OE2-NH2 2.85Å; E50-R65 PolarHBondContact OE2-NH2 3.27Å; D52-R65 VanDerWaalsContact CG-NE 3.26Å; D52-R65 IonicContact OD1-CZ 3.35Å; D52-R65 VanDerWaalsContact OD1-CZ 3.29Å; D52-R65 IonicContact OD1-NE 3.88Å; D52-R65 PolarHBondContact OD1-NE 3.49Å; D52-R65 IonicContact OD1-NH2 2.75Å; D52-R65 PolarHBondContact OD1-NH2 2.88Å; D52-R65 WeakPolarHBondContact OD2-CD 3.43Å; D52-R65 WeakPolarHBondContact OD2-CG 3.47Å; D52-R65 IonicContact OD2-CZ 3.7Å; D52-R65 IonicContact OD2-NE 3.86Å; D52-R65 PolarHBondContact OD2-NE 3.25Å; D52-R65 IonicContact OD2-NH2 2.8Å; R65-L81 HydrophobicContact CB-CD1 4.3Å; R65-L81 HydrophobicContact CG-CD1 3.7Å; R65-L81 HydrophobicContact CG-CD2 4.42Å; R65-W85 HydrophobicContact CB-CE3 3.82Å; R65-W85 HydrophobicContact CB-CZ3 3.81Å |
| 66 | T | 82.8 | Confident | 81.8 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 14% | 0.141 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.7 | 170.4 | -48.8 | 0 | 0 | 0 | 0 | 109 | L47 W85 K86 N105 | L47-T66 WeakPolarHBondContact O-CG2 3.17Å; T66-W85 WeakPolarHBondContact O-CA 3.38Å; T66-K86 PolarHBondContact N-O 2.86Å; T66-K86 PolarHBondContact O-N 3.37Å; T66-N105 PolarHBondContact OG1-O 3.33Å |
| 67 | Y | 87.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.7 | 172.6 | 178 | -86.2 | 0 | 0 | 0 | 110.7 | K45 V46 L47 G84 W85 G333 R334 M335 | K45-Y67 HydrophobicContact CD-CD1 3.76Å; K45-Y67 HydrophobicContact CD-CE1 3.97Å; V46-Y67 CarbonylContact C-O 3.5Å; V46-Y67 VanDerWaalsContact CA-O 3.28Å; V46-Y67 WeakPolarHBondContact CA-O 3.41Å; L47-Y67 PolarHBondContact N-O 3.26Å; L47-Y67 PolarHBondContact O-N 3.21Å; Y67-G84 WeakPolarHBondContact CA-O 3.47Å; Y67-G84 WeakPolarHBondContact CD2-O 3.41Å; Y67-W85 AromaticContact CD2-CD1 3.98Å; Y67-W85 AromaticContact CD2-CD2 3.81Å; Y67-W85 HydrophobicContact CD2-CD2 3.81Å; Y67-W85 AromaticContact CD2-CE2 3.64Å; Y67-W85 HydrophobicContact CD2-CE3 4.37Å; Y67-W85 HydrophobicContact CD2-CG 4.05Å; Y67-W85 HydrophobicContact CD2-CZ2 4.11Å; Y67-W85 AromaticContact CD2-NE1 3.72Å; Y67-W85 HydrophobicContact CG-CD2 4.4Å; Y67-W85 HydrophobicContact CG-CZ2 4.44Å; Y67-G333 WeakPolarHBondContact CE2-O 3.28Å; Y67-G333 PolarHBondContact OH-O 2.99Å; Y67-R334 WeakPolarHBondContact OH-CA 3.42Å; Y67-M335 HydrophobicContact CD1-CE 4.17Å; Y67-M335 HydrophobicContact CD2-CE 3.74Å; Y67-M335 HydrophobicContact CE1-CB 3.89Å; Y67-M335 HydrophobicContact CE1-CE 4.35Å; Y67-M335 HydrophobicContact CE2-CB 4.09Å; Y67-M335 HydrophobicContact CE2-CE 3.96Å; Y67-M335 HydrophobicContact CG-CE 3.86Å; Y67-M335 WeakPolarHBondContact OH-CB 3.5Å; Y67-M335 PolarHBondContact OH-N 2.99Å |
| 68 | S | 84.1 | Confident | 82.6 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.9 | 166.9 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | Y70 G84 Y272 | S68-Y70 VanDerWaalsContact OG-CB 3.32Å; S68-Y70 WeakPolarHBondContact OG-CB 3.37Å; S68-Y70 PolarHBondContact OG-N 3.01Å; S68-G84 PolarHBondContact N-O 3.02Å; S68-G84 VanDerWaalsContact N-O 3.1Å; S68-Y272 WeakPolarHBondContact O-CE1 3.2Å |
| 69 | S | 87.3 | Confident | 83 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -81 | -0.5 | 169.4 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | A44 K45 | A44-S69 WeakPolarHBondContact CA-OG 3.31Å; K45-S69 PolarHBondContact N-OG 2.85Å; K45-S69 PolarHBondContact O-N 3.23Å | ||
| 70 | Y | 78.6 | Confident | 83.2 | Confident | 68 Ų | 68 | 28 Ų | 28 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | trans | -73.6 | 136.9 | -175.7 | -174.4 | -92.5 | 0 | 0 | 0 | 112.2 | V23 L42 S68 | V23-Y70 HydrophobicContact CB-CE1 4.25Å; V23-Y70 HydrophobicContact CG1-CD1 4.05Å; V23-Y70 HydrophobicContact CG1-CE1 3.37Å; V23-Y70 HydrophobicContact CG2-CE1 3.75Å; L42-Y70 HydrophobicContact CB-CD2 3.96Å; L42-Y70 HydrophobicContact CB-CE2 4.5Å; L42-Y70 HydrophobicContact CD2-CD2 4.12Å; L42-Y70 HydrophobicContact CD2-CE2 4.08Å; S68-Y70 VanDerWaalsContact OG-CB 3.32Å; S68-Y70 WeakPolarHBondContact OG-CB 3.37Å; S68-Y70 PolarHBondContact OG-N 3.01Å | ||
| 71 | R | 75.3 | Confident | 83.4 | Confident | 91 Ų | 91 | 26.1 Ų | 26.1 | 34% | 0.343 | 13% | 0.13 | S | C | . | . | trans | -99.9 | 97.3 | -177.4 | -60.5 | -175.3 | -65.5 | 172 | 3.4 | 111 | E271 D353 | R71-E271 HydrophobicContact CG-CB 4.42Å; R71-E271 IonicContact CZ-OE1 2.88Å; R71-E271 IonicContact NH1-OE1 3.41Å; R71-E271 PolarHBondContact NH1-OE1 3.4Å; R71-D353 PolarHBondContact NH2-O 2.59Å | ||
| 72 | T | 69.8 | Low | 83.5 | Confident | 21 Ų | 21 | 25.8 Ų | 25.8 | 13% | 0.129 | 13% | 0.128 | C | C | . | . | trans | -70.6 | 145.9 | 169 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | T74 P75 S109 | T72-T74 PolarHBondContact O-N 3.47Å; T72-T74 PolarHBondContact OG1-N 2.65Å; T72-P75 HydrophobicContact CG2-CB 4.01Å; T72-P75 WeakPolarHBondContact O-CD 3.42Å; T72-S109 PolarHBondContact OG1-OG 3.18Å | ||
| 73 | K | 71 | Confident | 83.7 | Confident | 150 Ų | 150 | 22.7 Ų | 22.7 | 65% | 0.652 | 11% | 0.113 | S | C | * | . | S | Bend | trans | -74 | -13.6 | 176.9 | -43.5 | -170.2 | -168.1 | 171.8 | 0 | 113.4 | P20 T21 P75 | P20-K73 PolarHBondContact O-NZ 3.38Å; T21-K73 HydrophobicContact CG2-CB 3.87Å; T21-K73 HydrophobicContact CG2-CD 4.02Å; T21-K73 HydrophobicContact CG2-CG 4.31Å; K73-P75 VanDerWaalsContact C-CD 3.43Å |
| 74 | T | 74.5 | Confident | 83.7 | Confident | 10 Ų | 10 | 23 Ų | 23 | 6% | 0.061 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -126.5 | 61.2 | 178.5 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | T21 T72 A76 I101 S109 Y111 | T21-T74 HydrophobicContact CG2-CG2 4.33Å; T72-T74 PolarHBondContact O-N 3.47Å; T72-T74 PolarHBondContact OG1-N 2.65Å; T74-A76 PolarHBondContact O-N 3Å; T74-I101 HydrophobicContact CG2-CD1 4.36Å; T74-S109 PolarHBondContact O-OG 3.43Å; T74-Y111 WeakPolarHBondContact CG2-OH 3.49Å; T74-Y111 PolarHBondContact OG1-OH 2.87Å |
| 75 | P | 77 | Confident | 84 | Confident | 23 Ų | 23 | 22.1 Ų | 22.1 | 15% | 0.149 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 131.2 | -176.1 | 28.4 | -33.9 | 0 | 0 | 0 | 110.8 | T72 K73 Y269 | T72-P75 HydrophobicContact CG2-CB 4.01Å; T72-P75 WeakPolarHBondContact O-CD 3.42Å; K73-P75 VanDerWaalsContact C-CD 3.43Å; P75-Y269 WeakPolarHBondContact CG-OH 3.4Å |
| 76 | A | 78.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 7% | 0.066 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 154.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.1 | T74 R92 | T74-A76 PolarHBondContact O-N 3Å; A76-R92 HydrophobicContact CB-CG 4.35Å |
| 77 | P | 85.6 | Confident | 84 | Confident | 25 Ų | 25 | 22.2 Ų | 22.2 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -49.5 | 148.8 | 167.9 | -25.6 | 34.1 | 0 | 0 | 0 | 112.2 | G79 K86 R274 | P77-G79 PolarHBondContact O-N 3.2Å; P77-K86 PolarHBondContact O-NZ 3.35Å; P77-R274 CarbonylContact C-O 3.57Å; P77-R274 WeakPolarHBondContact CA-O 3.42Å |
| 78 | V | 89.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 131.8 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 108.7 | P83 R274 D275 | V78-P83 HydrophobicContact CG1-CB 4.33Å; V78-P83 HydrophobicContact CG2-CB 4.12Å; V78-R274 PolarHBondContact N-O 2.66Å; V78-D275 HydrophobicContact CB-CB 4.09Å; V78-D275 HydrophobicContact CG2-CB 4.02Å |
| 79 | G | 87.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | -81.5 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P77 L81 G82 D90 | P77-G79 PolarHBondContact O-N 3.2Å; G79-L81 PolarHBondContact O-N 3.47Å; G79-G82 PolarHBondContact O-N 2.83Å; G79-D90 VanDerWaalsContact CA-OD1 3.22Å; G79-D90 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 80 | S | 91.6 | Very high | 83.5 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -6.3 | -179.5 | -24.3 | 0 | 0 | 0 | 0 | 113.5 | E222 R279 L280 | S80-E222 PolarHBondContact OG-OE2 2.76Å; S80-R279 CarbonylContact O-C 3.54Å; S80-R279 VanDerWaalsContact O-CA 3.23Å; S80-R279 WeakPolarHBondContact O-CA 3.36Å; S80-R279 WeakPolarHBondContact O-CD 3.32Å; S80-L280 PolarHBondContact O-N 3.17Å |
| 81 | L | 92.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.9 | 171 | -69.1 | 173.6 | 0 | 0 | 0 | 114.9 | R65 G79 W85 M87 L280 Y303 W305 | R65-L81 HydrophobicContact CB-CD1 4.3Å; R65-L81 HydrophobicContact CG-CD1 3.7Å; R65-L81 HydrophobicContact CG-CD2 4.42Å; G79-L81 PolarHBondContact O-N 3.47Å; L81-W85 HydrophobicContact CB-CB 3.67Å; L81-W85 HydrophobicContact CB-CG 4.45Å; L81-M87 HydrophobicContact CD1-CB 3.75Å; L81-M87 HydrophobicContact CD1-CG 4.03Å; L81-M87 HydrophobicContact CD1-SD 4.38Å; L81-L280 HydrophobicContact CD2-CD2 4.49Å; L81-Y303 HydrophobicContact CD2-CE1 4.42Å; L81-W305 VanDerWaalsContact C-CH2 3.46Å; L81-W305 HydrophobicContact CD2-CH2 4.43Å; L81-W305 VanDerWaalsContact O-CH2 3.26Å; L81-W305 WeakPolarHBondContact O-CH2 3.34Å; L81-W305 VanDerWaalsContact O-CZ3 3.25Å; L81-W305 WeakPolarHBondContact O-CZ3 3.47Å |
| 82 | G | 92.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | 82.8 | 175.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | G79 W85 | G79-G82 PolarHBondContact O-N 2.83Å; G82-W85 PolarHBondContact O-N 3.43Å | ||
| 83 | P | 91.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 139.1 | -168.7 | 26.8 | -34.7 | 0 | 0 | 0 | 112.2 | V78 W85 T270 Y272 E310 | V78-P83 HydrophobicContact CG1-CB 4.33Å; V78-P83 HydrophobicContact CG2-CB 4.12Å; P83-W85 PolarHBondContact O-N 2.65Å; P83-T270 HydrophobicContact CB-CG2 4.34Å; P83-Y272 HydrophobicContact CB-CD2 3.95Å; P83-Y272 HydrophobicContact CB-CG 4.36Å; P83-E310 HydrophobicContact CG-CG 4.13Å |
| 84 | G | 88 | Confident | 86.5 | Confident | 9 Ų | 9 | 10.2 Ų | 10.2 | 9% | 0.093 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -15.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y67 S68 | Y67-G84 WeakPolarHBondContact CA-O 3.47Å; Y67-G84 WeakPolarHBondContact CD2-O 3.41Å; S68-G84 PolarHBondContact N-O 3.02Å; S68-G84 VanDerWaalsContact N-O 3.1Å |
| 85 | W | 90.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 151.8 | 176.7 | -67.4 | 96.2 | 0 | 0 | 0 | 112.7 | L47 R65 T66 Y67 L81 G82 P83 L311 F325 Y327 M335 | L47-W85 HydrophobicContact CD1-CH2 4.03Å; R65-W85 HydrophobicContact CB-CE3 3.82Å; R65-W85 HydrophobicContact CB-CZ3 3.81Å; T66-W85 WeakPolarHBondContact O-CA 3.38Å; Y67-W85 AromaticContact CD2-CD1 3.98Å; Y67-W85 AromaticContact CD2-CD2 3.81Å; Y67-W85 HydrophobicContact CD2-CD2 3.81Å; Y67-W85 AromaticContact CD2-CE2 3.64Å; Y67-W85 HydrophobicContact CD2-CE3 4.37Å; Y67-W85 HydrophobicContact CD2-CG 4.05Å; Y67-W85 HydrophobicContact CD2-CZ2 4.11Å; Y67-W85 AromaticContact CD2-NE1 3.72Å; Y67-W85 HydrophobicContact CG-CD2 4.4Å; Y67-W85 HydrophobicContact CG-CZ2 4.44Å; L81-W85 HydrophobicContact CB-CB 3.67Å; L81-W85 HydrophobicContact CB-CG 4.45Å; G82-W85 PolarHBondContact O-N 3.43Å; P83-W85 PolarHBondContact O-N 2.65Å; W85-L311 HydrophobicContact CD2-CD2 4.09Å; W85-L311 HydrophobicContact CH2-CD2 4.46Å; W85-L311 HydrophobicContact CZ2-CD2 3.97Å; W85-F325 HydrophobicContact CH2-CD1 4.2Å; W85-F325 AromaticContact CH2-CE1 3.61Å; W85-F325 HydrophobicContact CH2-CE1 3.61Å; W85-F325 HydrophobicContact CH2-CE2 4.02Å; W85-F325 AromaticContact CH2-CZ 3.5Å; W85-F325 HydrophobicContact CH2-CZ 3.5Å; W85-F325 VanDerWaalsContact CH2-CZ 3.5Å; W85-F325 AromaticContact CZ2-CD1 3.82Å; W85-F325 HydrophobicContact CZ2-CD1 3.82Å; W85-F325 AromaticContact CZ2-CD2 3.91Å; W85-F325 HydrophobicContact CZ2-CD2 3.91Å; W85-F325 AromaticContact CZ2-CE1 3.69Å; W85-F325 HydrophobicContact CZ2-CE1 3.69Å; W85-F325 AromaticContact CZ2-CE2 3.76Å; W85-F325 HydrophobicContact CZ2-CE2 3.76Å; W85-F325 AromaticContact CZ2-CG 3.94Å; W85-F325 HydrophobicContact CZ2-CG 3.94Å; W85-F325 AromaticContact CZ2-CZ 3.66Å; W85-F325 HydrophobicContact CZ2-CZ 3.66Å; W85-Y327 AromaticContact NE1-CZ 3.97Å; W85-Y327 PolarHBondContact NE1-OH 3.16Å; W85-M335 HydrophobicContact CH2-CE 4.01Å; W85-M335 HydrophobicContact CZ2-CE 3.33Å |
| 86 | K | 85.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 16.5 Ų | 16.5 | 10% | 0.1 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 150.4 | 173 | -63.5 | -65.6 | 168.9 | -170.4 | 0 | 111 | T66 P77 D90 N105 | T66-K86 PolarHBondContact N-O 2.86Å; T66-K86 PolarHBondContact O-N 3.37Å; P77-K86 PolarHBondContact O-NZ 3.35Å; K86-D90 WeakPolarHBondContact CA-OD2 3.4Å; K86-D90 HydrophobicContact CD-CB 4.04Å; K86-N105 WeakPolarHBondContact CB-O 3.4Å |
| 87 | M | 86.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | trans | -123.9 | 163.8 | 168.2 | 52.2 | 174.7 | 179.4 | 0 | 0 | 110.6 | L63 S64 L81 A89 D90 | L63-M87 HydrophobicContact CD1-SD 4.15Å; S64-M87 WeakPolarHBondContact O-CA 3.44Å; L81-M87 HydrophobicContact CD1-CB 3.75Å; L81-M87 HydrophobicContact CD1-CG 4.03Å; L81-M87 HydrophobicContact CD1-SD 4.38Å; M87-A89 HydrophobicContact CE-CB 4.42Å; M87-A89 PolarHBondContact O-N 3.29Å; M87-A89 HydrophobicContact SD-CB 4.48Å; M87-D90 WeakPolarHBondContact CG-OD2 3.39Å; M87-D90 PolarHBondContact N-OD2 2.94Å; M87-D90 WeakPolarHBondContact O-CB 3.4Å; M87-D90 PolarHBondContact O-N 3.09Å | ||
| 88 | P | 79.3 | Confident | 87 | Confident | 38 Ų | 38 | 28.8 Ų | 28.8 | 25% | 0.247 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -47.1 | -34.4 | 175.6 | -32.2 | 36.6 | 0 | 0 | 0 | 114.7 | S64 D90 I91 L198 | S64-P88 VanDerWaalsContact O-CD 3.25Å; S64-P88 WeakPolarHBondContact O-CD 3.41Å; P88-D90 VanDerWaalsContact C-N 3.33Å; P88-D90 PolarHBondContact O-N 3.36Å; P88-I91 WeakPolarHBondContact O-CD1 3.37Å; P88-I91 VanDerWaalsContact O-CG1 3.26Å; P88-I91 WeakPolarHBondContact O-CG1 3.35Å; P88-L198 WeakPolarHBondContact O-CD2 3.41Å |
| 89 | A | 82.4 | Confident | 86.8 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -82.3 | -2.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | M87 I91 F211 R213 I223 | M87-A89 HydrophobicContact CE-CB 4.42Å; M87-A89 PolarHBondContact O-N 3.29Å; M87-A89 HydrophobicContact SD-CB 4.48Å; A89-I91 VanDerWaalsContact C-N 3.32Å; A89-F211 HydrophobicContact CB-CD1 3.71Å; A89-F211 HydrophobicContact CB-CE1 3.48Å; A89-F211 VanDerWaalsContact CB-CE1 3.48Å; A89-F211 HydrophobicContact CB-CG 4.49Å; A89-F211 HydrophobicContact CB-CZ 4.07Å; A89-R213 PolarHBondContact O-NH2 2.8Å; A89-I223 HydrophobicContact CB-CD1 3.28Å |
| 90 | D | 85.3 | Confident | 86.8 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -80.1 | -11.5 | 174.3 | -82.4 | -50.6 | 0 | 0 | 0 | 113.9 | G79 K86 M87 P88 R92 | G79-D90 VanDerWaalsContact CA-OD1 3.22Å; G79-D90 WeakPolarHBondContact CA-OD1 3.33Å; K86-D90 WeakPolarHBondContact CA-OD2 3.4Å; K86-D90 HydrophobicContact CD-CB 4.04Å; M87-D90 WeakPolarHBondContact CG-OD2 3.39Å; M87-D90 PolarHBondContact N-OD2 2.94Å; M87-D90 WeakPolarHBondContact O-CB 3.4Å; M87-D90 PolarHBondContact O-N 3.09Å; P88-D90 VanDerWaalsContact C-N 3.33Å; P88-D90 PolarHBondContact O-N 3.36Å; D90-R92 PolarHBondContact O-N 2.65Å; D90-R92 PolarHBondContact O-NE 3.21Å; D90-R92 IonicContact OD1-NH2 3.35Å; D90-R92 PolarHBondContact OD1-NH2 3.26Å |
| 91 | I | 86.9 | Confident | 86.6 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.062 | 16% | 0.159 | C | C | . | . | trans | -54.5 | 129.1 | -178.5 | -63.1 | 171.8 | 0 | 0 | 0 | 109.7 | P88 A89 L102 S103 N105 L175 L198 | P88-I91 WeakPolarHBondContact O-CD1 3.37Å; P88-I91 VanDerWaalsContact O-CG1 3.26Å; P88-I91 WeakPolarHBondContact O-CG1 3.35Å; A89-I91 VanDerWaalsContact C-N 3.32Å; I91-L102 HydrophobicContact CG2-CD1 3.91Å; I91-S103 VanDerWaalsContact CA-O 3.31Å; I91-S103 WeakPolarHBondContact CA-O 3.38Å; I91-N105 HydrophobicContact CD1-CB 4.15Å; I91-N105 HydrophobicContact CG1-CB 3.99Å; I91-L175 HydrophobicContact CG2-CD2 4.03Å; I91-L198 HydrophobicContact CB-CB 4.29Å; I91-L198 HydrophobicContact CD1-CD2 4.47Å; I91-L198 PolarHBondContact O-N 3Å | ||
| 92 | R | 90.1 | Very high | 86.3 | Confident | 31 Ų | 31 | 31 Ų | 31 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 143.8 | -177.7 | 67.2 | -172.3 | 77.4 | -170.1 | 5.7 | 113.1 | A76 D90 S103 R196 V197 | A76-R92 HydrophobicContact CB-CG 4.35Å; D90-R92 PolarHBondContact O-N 2.65Å; D90-R92 PolarHBondContact O-NE 3.21Å; D90-R92 IonicContact OD1-NH2 3.35Å; D90-R92 PolarHBondContact OD1-NH2 3.26Å; R92-S103 PolarHBondContact N-O 2.93Å; R92-S103 PolarHBondContact O-N 3.09Å; R92-R196 CarbonylContact C-O 3.59Å; R92-R196 WeakPolarHBondContact CA-O 3.47Å; R92-R196 VanDerWaalsContact CB-O 3.26Å; R92-R196 WeakPolarHBondContact CB-O 3.39Å; R92-V197 HydrophobicContact CB-CG1 4.1Å |
| 93 | L | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.3 | 170.1 | -159.8 | 67.4 | 0 | 0 | 0 | 109.4 | L95 L100 I101 L102 L130 Y162 L175 Y195 R196 | L93-L95 HydrophobicContact CB-CD1 4.38Å; L93-L95 HydrophobicContact CD2-CD1 4.07Å; L93-L95 HydrophobicContact CG-CD1 4.17Å; L93-L100 HydrophobicContact CD1-CB 4.06Å; L93-L100 HydrophobicContact CD2-CB 4.48Å; L93-L100 HydrophobicContact CD2-CD1 4.37Å; L93-L100 HydrophobicContact CD2-CD2 4.23Å; L93-L100 HydrophobicContact CG-CB 4.33Å; L93-I101 CarbonylContact C-O 3.47Å; L93-I101 WeakPolarHBondContact CA-O 3.21Å; L93-L102 HydrophobicContact CD1-CB 3.8Å; L93-L102 HydrophobicContact CD1-CD1 4.15Å; L93-L130 HydrophobicContact CD1-CD1 4.2Å; L93-L130 HydrophobicContact CD1-CD2 3.75Å; L93-L130 HydrophobicContact CD2-CD1 4.39Å; L93-L130 HydrophobicContact CD2-CD2 4.28Å; L93-Y162 HydrophobicContact CD2-CD1 3.58Å; L93-Y162 HydrophobicContact CD2-CD2 3.89Å; L93-Y162 HydrophobicContact CD2-CE1 3.98Å; L93-Y162 HydrophobicContact CD2-CE2 4.25Å; L93-Y162 HydrophobicContact CD2-CG 3.52Å; L93-L175 HydrophobicContact CB-CD1 4.37Å; L93-Y195 CarbonylContact O-C 3.58Å; L93-Y195 WeakPolarHBondContact O-CA 3.49Å; L93-R196 HydrophobicContact CB-CB 4.12Å; L93-R196 PolarHBondContact N-O 3.19Å; L93-R196 PolarHBondContact O-N 2.91Å |
| 94 | Q | 89.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.1 | 166.1 | -35.6 | -175.1 | 8.7 | 0 | 0 | 108 | L100 I101 S103 Y195 | Q94-L100 WeakPolarHBondContact O-CA 3.29Å; Q94-I101 HydrophobicContact CB-CB 4.07Å; Q94-I101 HydrophobicContact CG-CB 4.12Å; Q94-I101 WeakPolarHBondContact CG-O 3.21Å; Q94-I101 PolarHBondContact N-O 2.89Å; Q94-I101 PolarHBondContact O-N 2.8Å; Q94-S103 PolarHBondContact NE2-OG 3.05Å; Q94-Y195 HydrophobicContact CB-CD1 4.02Å; Q94-Y195 HydrophobicContact CB-CE1 3.94Å; Q94-Y195 HydrophobicContact CG-CD1 3.9Å; Q94-Y195 HydrophobicContact CG-CE1 3.68Å |
| 95 | L | 88.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.7 | 174.8 | -77.3 | 67.4 | 0 | 0 | 0 | 108 | L93 L100 Y162 P194 R196 | L93-L95 HydrophobicContact CB-CD1 4.38Å; L93-L95 HydrophobicContact CD2-CD1 4.07Å; L93-L95 HydrophobicContact CG-CD1 4.17Å; L95-L100 HydrophobicContact CB-CD2 4.42Å; L95-L100 HydrophobicContact CD1-CD2 4.34Å; L95-L100 HydrophobicContact CG-CD2 3.77Å; L95-Y162 HydrophobicContact CD2-CE2 4.25Å; L95-P194 PolarHBondContact N-O 2.83Å; L95-R196 HydrophobicContact CD1-CG 3.89Å |
| 96 | R | 84 | Confident | 83 | Confident | 121 Ų | 121 | 35.6 Ų | 35.6 | 46% | 0.457 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.5 | 169.4 | -58.2 | -174 | -179.7 | -160.6 | 0.7 | 108.8 | N98 T99 | R96-N98 VanDerWaalsContact C-N 3.26Å; R96-N98 PolarHBondContact O-N 3.33Å; R96-T99 PolarHBondContact N-O 2.81Å; R96-T99 PolarHBondContact O-N 2.93Å; R96-T99 VanDerWaalsContact O-O 3.06Å |
| 97 | D | 76.9 | Confident | 82.1 | Confident | 156 Ų | 156 | 35.7 Ų | 35.7 | 83% | 0.834 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -41.4 | -48.2 | -167.8 | -51.6 | -25.4 | 0 | 0 | 0 | 114.3 | ||
| 98 | N | 78 | Confident | 81.3 | Confident | 136 Ų | 136 | 38.9 Ų | 38.9 | 73% | 0.727 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120 | 7.1 | 179.1 | -64.8 | -8.5 | 0 | 0 | 0 | 114.7 | R96 | R96-N98 VanDerWaalsContact C-N 3.26Å; R96-N98 PolarHBondContact O-N 3.33Å |
| 99 | T | 83.6 | Confident | 81 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142.3 | -175.2 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | R96 | R96-T99 PolarHBondContact N-O 2.81Å; R96-T99 PolarHBondContact O-N 2.93Å; R96-T99 VanDerWaalsContact O-O 3.06Å |
| 100 | L | 88.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.6 | 171.1 | -57.6 | 175.6 | 0 | 0 | 0 | 109 | L93 Q94 L95 F112 E113 L115 L130 Y162 | L93-L100 HydrophobicContact CD1-CB 4.06Å; L93-L100 HydrophobicContact CD2-CB 4.48Å; L93-L100 HydrophobicContact CD2-CD1 4.37Å; L93-L100 HydrophobicContact CD2-CD2 4.23Å; L93-L100 HydrophobicContact CG-CB 4.33Å; Q94-L100 WeakPolarHBondContact O-CA 3.29Å; L95-L100 HydrophobicContact CB-CD2 4.42Å; L95-L100 HydrophobicContact CD1-CD2 4.34Å; L95-L100 HydrophobicContact CG-CD2 3.77Å; L100-F112 HydrophobicContact CB-CB 4.17Å; L100-F112 PolarHBondContact N-O 3.35Å; L100-F112 PolarHBondContact O-N 2.95Å; L100-E113 WeakPolarHBondContact CD1-O 3.38Å; L100-E113 WeakPolarHBondContact CG-O 3.36Å; L100-L115 HydrophobicContact CD1-CB 4.29Å; L100-L115 HydrophobicContact CD1-CD1 4.14Å; L100-L115 HydrophobicContact CD1-CG 3.94Å; L100-L130 HydrophobicContact CB-CD2 4.34Å; L100-L130 HydrophobicContact CD1-CD2 3.91Å; L100-Y162 HydrophobicContact CD1-CD1 4.28Å; L100-Y162 HydrophobicContact CD1-CE1 3.61Å; L100-Y162 HydrophobicContact CD2-CE1 4.36Å |
| 101 | I | 87.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 101.6 | -179.8 | -48.1 | 178.5 | 0 | 0 | 0 | 109.5 | T74 L93 Q94 S103 L110 Y111 | T74-I101 HydrophobicContact CG2-CD1 4.36Å; L93-I101 CarbonylContact C-O 3.47Å; L93-I101 WeakPolarHBondContact CA-O 3.21Å; Q94-I101 HydrophobicContact CB-CB 4.07Å; Q94-I101 HydrophobicContact CG-CB 4.12Å; Q94-I101 WeakPolarHBondContact CG-O 3.21Å; Q94-I101 PolarHBondContact N-O 2.89Å; Q94-I101 PolarHBondContact O-N 2.8Å; I101-S103 PolarHBondContact O-N 3.24Å; I101-L110 CarbonylContact C-O 3.41Å; I101-L110 WeakPolarHBondContact CA-O 3.23Å; I101-Y111 HydrophobicContact CD1-CD1 4.14Å; I101-Y111 HydrophobicContact CD1-CE1 3.47Å; I101-Y111 VanDerWaalsContact CD1-CE1 3.47Å; I101-Y111 HydrophobicContact CG1-CD1 3.81Å; I101-Y111 HydrophobicContact CG1-CE1 3.68Å; I101-Y111 HydrophobicContact CG2-CE1 4.41Å; I101-Y111 HydrophobicContact CG2-CE2 4.42Å |
| 102 | L | 86.9 | Confident | 80 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114.8 | 174.9 | -176.8 | 67.1 | 0 | 0 | 0 | 109.5 | I91 L93 L110 F112 L128 A164 L175 | I91-L102 HydrophobicContact CG2-CD1 3.91Å; L93-L102 HydrophobicContact CD1-CB 3.8Å; L93-L102 HydrophobicContact CD1-CD1 4.15Å; L102-L110 HydrophobicContact CB-CB 4.33Å; L102-L110 HydrophobicContact CD2-CD1 4.46Å; L102-L110 PolarHBondContact N-O 2.98Å; L102-L110 PolarHBondContact O-N 3.39Å; L102-F112 HydrophobicContact CB-CD2 4.46Å; L102-F112 HydrophobicContact CB-CE2 4.12Å; L102-F112 HydrophobicContact CD2-CE2 4.42Å; L102-L128 HydrophobicContact CD2-CD2 3.55Å; L102-A164 HydrophobicContact CD2-CB 4.47Å; L102-L175 HydrophobicContact CD1-CD1 3.7Å |
| 103 | S | 83.6 | Confident | 79.6 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.8 | 171.1 | -52 | 0 | 0 | 0 | 0 | 109.1 | I91 R92 Q94 I101 R108 | I91-S103 VanDerWaalsContact CA-O 3.31Å; I91-S103 WeakPolarHBondContact CA-O 3.38Å; R92-S103 PolarHBondContact N-O 2.93Å; R92-S103 PolarHBondContact O-N 3.09Å; Q94-S103 PolarHBondContact NE2-OG 3.05Å; I101-S103 PolarHBondContact O-N 3.24Å; S103-R108 VanDerWaalsContact CA-O 3.25Å; S103-R108 WeakPolarHBondContact CA-O 3.31Å |
| 104 | D | 74.7 | Confident | 79.4 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -92.2 | -178.9 | -174.5 | 80.9 | -2.6 | 0 | 0 | 0 | 114 | G106 G107 R108 | D104-G106 PolarHBondContact O-N 3.2Å; D104-G106 VanDerWaalsContact OD1-CA 3.32Å; D104-G106 WeakPolarHBondContact OD1-CA 3.46Å; D104-G106 PolarHBondContact OD1-N 3.1Å; D104-G107 PolarHBondContact O-N 2.86Å; D104-G107 VanDerWaalsContact O-N 3.1Å; D104-G107 PolarHBondContact OD1-N 2.84Å; D104-R108 PolarHBondContact N-O 3.48Å; D104-R108 WeakPolarHBondContact OD1-CB 3.49Å; D104-R108 PolarHBondContact OD1-N 3.48Å; D104-R108 IonicContact OD1-NE 3.37Å; D104-R108 IonicContact OD2-CZ 3.63Å; D104-R108 IonicContact OD2-NE 2.79Å; D104-R108 PolarHBondContact OD2-NE 3.47Å; D104-R108 IonicContact OD2-NH2 2.68Å; D104-R108 PolarHBondContact OD2-NH2 2.83Å | ||
| 105 | N | 71.3 | Confident | 79.4 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.1 | 178.4 | 68 | -17.4 | 0 | 0 | 0 | 114.3 | T66 K86 I91 | T66-N105 PolarHBondContact OG1-O 3.33Å; K86-N105 WeakPolarHBondContact CB-O 3.4Å; I91-N105 HydrophobicContact CD1-CB 4.15Å; I91-N105 HydrophobicContact CG1-CB 3.99Å |
| 106 | G | 63.3 | Low | 79.4 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -9.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D104 | D104-G106 PolarHBondContact O-N 3.2Å; D104-G106 VanDerWaalsContact OD1-CA 3.32Å; D104-G106 WeakPolarHBondContact OD1-CA 3.46Å; D104-G106 PolarHBondContact OD1-N 3.1Å |
| 107 | G | 65.4 | Low | 79.6 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 84.6 | 11.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | D104 | D104-G107 PolarHBondContact O-N 2.86Å; D104-G107 VanDerWaalsContact O-N 3.1Å; D104-G107 PolarHBondContact OD1-N 2.84Å |
| 108 | R | 69.8 | Low | 80 | Confident | 70 Ų | 70 | 43 Ų | 43 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | trans | -74.4 | 152.7 | 174.9 | -52.7 | -175.4 | -63 | 147.6 | 10.1 | 109.7 | S103 D104 E126 | S103-R108 VanDerWaalsContact CA-O 3.25Å; S103-R108 WeakPolarHBondContact CA-O 3.31Å; D104-R108 PolarHBondContact N-O 3.48Å; D104-R108 WeakPolarHBondContact OD1-CB 3.49Å; D104-R108 PolarHBondContact OD1-N 3.48Å; D104-R108 IonicContact OD1-NE 3.37Å; D104-R108 IonicContact OD2-CZ 3.63Å; D104-R108 IonicContact OD2-NE 2.79Å; D104-R108 PolarHBondContact OD2-NE 3.47Å; D104-R108 IonicContact OD2-NH2 2.68Å; D104-R108 PolarHBondContact OD2-NH2 2.83Å; R108-E126 IonicContact CZ-OE2 2.74Å; R108-E126 IonicContact NH1-OE1 2.8Å; R108-E126 PolarHBondContact NH1-OE1 3.17Å; R108-E126 IonicContact NH1-OE2 2.71Å; R108-E126 PolarHBondContact NH1-OE2 3.39Å; R108-E126 IonicContact NH2-OE2 2.63Å; R108-E126 PolarHBondContact NH2-OE2 3.06Å | ||
| 109 | S | 73.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 108.9 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | T72 T74 | T72-S109 PolarHBondContact OG1-OG 3.18Å; T74-S109 PolarHBondContact O-OG 3.43Å |
| 110 | L | 72.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.4 | 179.4 | -54.2 | 176.7 | 0 | 0 | 0 | 109.3 | I101 L102 F112 E126 L128 | I101-L110 CarbonylContact C-O 3.41Å; I101-L110 WeakPolarHBondContact CA-O 3.23Å; L102-L110 HydrophobicContact CB-CB 4.33Å; L102-L110 HydrophobicContact CD2-CD1 4.46Å; L102-L110 PolarHBondContact N-O 2.98Å; L102-L110 PolarHBondContact O-N 3.39Å; L110-F112 HydrophobicContact CB-CE2 4.01Å; L110-E126 HydrophobicContact CD1-CB 4.37Å; L110-E126 HydrophobicContact CD1-CG 3.82Å; L110-E126 HydrophobicContact CD2-CG 3.62Å; L110-E126 HydrophobicContact CG-CG 4.33Å; L110-L128 HydrophobicContact CD1-CD2 3.68Å |
| 111 | Y | 77.5 | Confident | 80.8 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 29% | 0.286 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.5 | -176.2 | -73 | -101.2 | 0 | 0 | 0 | 110.8 | T21 T74 I101 | T21-Y111 WeakPolarHBondContact CG2-OH 3.25Å; T21-Y111 WeakPolarHBondContact OG1-CE2 3.34Å; T21-Y111 PolarHBondContact OG1-OH 3.22Å; T74-Y111 WeakPolarHBondContact CG2-OH 3.49Å; T74-Y111 PolarHBondContact OG1-OH 2.87Å; I101-Y111 HydrophobicContact CD1-CD1 4.14Å; I101-Y111 HydrophobicContact CD1-CE1 3.47Å; I101-Y111 VanDerWaalsContact CD1-CE1 3.47Å; I101-Y111 HydrophobicContact CG1-CD1 3.81Å; I101-Y111 HydrophobicContact CG1-CE1 3.68Å; I101-Y111 HydrophobicContact CG2-CE1 4.41Å; I101-Y111 HydrophobicContact CG2-CE2 4.42Å |
| 112 | F | 82.1 | Confident | 80.4 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156 | 174.6 | -65.6 | -99.8 | 0 | 0 | 0 | 109.1 | L100 L102 L110 G121 L128 L130 | L100-F112 HydrophobicContact CB-CB 4.17Å; L100-F112 PolarHBondContact N-O 3.35Å; L100-F112 PolarHBondContact O-N 2.95Å; L102-F112 HydrophobicContact CB-CD2 4.46Å; L102-F112 HydrophobicContact CB-CE2 4.12Å; L102-F112 HydrophobicContact CD2-CE2 4.42Å; L110-F112 HydrophobicContact CB-CE2 4.01Å; F112-G121 WeakPolarHBondContact CE1-O 3.37Å; F112-L128 HydrophobicContact CZ-CD2 4.17Å; F112-L130 HydrophobicContact CB-CD2 4.04Å; F112-L130 HydrophobicContact CD1-CB 3.97Å; F112-L130 HydrophobicContact CD1-CD2 4.21Å; F112-L130 HydrophobicContact CD2-CD2 3.94Å; F112-L130 HydrophobicContact CE1-CB 3.79Å; F112-L130 HydrophobicContact CE2-CB 4.46Å; F112-L130 HydrophobicContact CE2-CD2 4.43Å; F112-L130 HydrophobicContact CG-CB 4.39Å; F112-L130 HydrophobicContact CG-CD2 3.82Å; F112-L130 HydrophobicContact CZ-CB 4.05Å |
| 113 | E | 83.5 | Confident | 79.5 | Confident | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 167.6 | 169.4 | -61.2 | -171.1 | 140.4 | 0 | 0 | 110.6 | R16 L100 | R16-E113 IonicContact CZ-OE1 2.96Å; R16-E113 IonicContact NH1-OE1 3.54Å; R16-E113 PolarHBondContact NH1-OE1 3.18Å; R16-E113 IonicContact NH2-OE1 3.73Å; R16-E113 PolarHBondContact NH2-OE1 3.48Å; R16-E113 IonicContact NH2-OE2 2.8Å; L100-E113 WeakPolarHBondContact CD1-O 3.38Å; L100-E113 WeakPolarHBondContact CG-O 3.36Å |
| 114 | H | 86.2 | Confident | 78.3 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 129.5 | 173.8 | 174.2 | -78.3 | 0 | 0 | 0 | 110.8 | ||
| 115 | L | 90.1 | Very high | 77.2 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 130.1 | 178.3 | -57.4 | 174.2 | 0 | 0 | 0 | 111.6 | L100 E119 L130 R132 Y162 | L100-L115 HydrophobicContact CD1-CB 4.29Å; L100-L115 HydrophobicContact CD1-CD1 4.14Å; L100-L115 HydrophobicContact CD1-CG 3.94Å; L115-E119 HydrophobicContact CB-CB 4.27Å; L115-E119 HydrophobicContact CD2-CB 4.23Å; L115-L130 HydrophobicContact CD1-CB 4.44Å; L115-L130 HydrophobicContact CD1-CD2 4.14Å; L115-L130 HydrophobicContact CD1-CG 4.02Å; L115-L130 WeakPolarHBondContact CD1-O 3.5Å; L115-R132 HydrophobicContact CB-CB 4.1Å; L115-R132 WeakPolarHBondContact O-CD 3.43Å; L115-R132 PolarHBondContact O-NH1 2.68Å; L115-Y162 HydrophobicContact CB-CE1 4.48Å |
| 116 | F | 88.5 | Confident | 76.6 | Confident | 130 Ų | 130 | 50 Ų | 50 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 162.2 | 165.6 | -64.5 | -81.8 | 0 | 0 | 0 | 111.3 | G118 E119 | F116-G118 PolarHBondContact O-N 2.66Å; F116-E119 HydrophobicContact CB-CG 4.12Å; F116-E119 WeakPolarHBondContact CB-OE2 3.39Å; F116-E119 WeakPolarHBondContact CD2-OE1 3.01Å; F116-E119 WeakPolarHBondContact CD2-OE2 3.41Å; F116-E119 PolarHBondContact N-OE2 3.49Å; F116-E119 WeakPolarHBondContact O-CB 3.42Å; F116-E119 PolarHBondContact O-N 2.87Å; F116-E119 VanDerWaalsContact O-N 3.08Å |
| 117 | P | 87.5 | Confident | 76.8 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 126.4 | 179.5 | -25.2 | 35.9 | 0 | 0 | 0 | 112.2 | G133 P159 | P117-G133 VanDerWaalsContact CA-O 3.27Å; P117-G133 WeakPolarHBondContact CA-O 3.37Å; P117-G133 WeakPolarHBondContact CB-O 3.11Å; P117-P159 HydrophobicContact CB-CB 3.94Å; P117-P159 HydrophobicContact CG-CB 3.96Å |
| 118 | G | 86 | Confident | 77.4 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -8.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | F116 R132 G133 | F116-G118 PolarHBondContact O-N 2.66Å; G118-R132 WeakPolarHBondContact CA-O 3.46Å; G118-R132 PolarHBondContact N-O 3.42Å; G118-G133 PolarHBondContact N-O 3.4Å |
| 119 | E | 90.9 | Very high | 78.2 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | trans | -85.1 | 152.6 | 177 | -65.5 | -178.4 | 165.1 | 0 | 0 | 112.7 | L115 F116 R132 | L115-E119 HydrophobicContact CB-CB 4.27Å; L115-E119 HydrophobicContact CD2-CB 4.23Å; F116-E119 HydrophobicContact CB-CG 4.12Å; F116-E119 WeakPolarHBondContact CB-OE2 3.39Å; F116-E119 WeakPolarHBondContact CD2-OE1 3.01Å; F116-E119 WeakPolarHBondContact CD2-OE2 3.41Å; F116-E119 PolarHBondContact N-OE2 3.49Å; F116-E119 WeakPolarHBondContact O-CB 3.42Å; F116-E119 PolarHBondContact O-N 2.87Å; F116-E119 VanDerWaalsContact O-N 3.08Å; E119-R132 PolarHBondContact O-N 3.32Å | ||
| 120 | D | 88.8 | Confident | 79.1 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 156.6 | 168 | 77.2 | -62.9 | 0 | 0 | 0 | 113 | L130 V131 H142 | D120-L130 CarbonylContact C-O 2.71Å; D120-L130 VanDerWaalsContact CA-O 3.29Å; D120-L130 WeakPolarHBondContact CA-O 3.48Å; D120-V131 HydrophobicContact CB-CB 4.25Å; D120-V131 HydrophobicContact CB-CG1 4.13Å; D120-V131 HydrophobicContact CB-CG2 3.78Å; D120-H142 IonicContact OD1-NE2 2.89Å; D120-H142 IonicContact OD2-NE2 3.29Å |
| 121 | G | 85.7 | Confident | 80.1 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 127.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F112 L130 | F112-G121 WeakPolarHBondContact CE1-O 3.37Å; G121-L130 PolarHBondContact N-O 3.05Å; G121-L130 PolarHBondContact O-N 2.92Å |
| 122 | Y | 79.6 | Confident | 80.8 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.5 | -178.7 | -178.4 | -124.6 | 0 | 0 | 0 | 112.4 | R124 S127 W129 | Y122-R124 HydrophobicContact CD1-CG 3.71Å; Y122-R124 HydrophobicContact CE1-CB 4.29Å; Y122-R124 HydrophobicContact CE1-CG 3.73Å; Y122-R124 PolarHBondContact O-N 2.96Å; Y122-S127 VanDerWaalsContact CE2-C 3.45Å; Y122-W129 HydrophobicContact CD2-CB 4.46Å; Y122-W129 AromaticContact CD2-CD1 3.55Å; Y122-W129 AromaticContact CD2-CD2 3.4Å; Y122-W129 HydrophobicContact CD2-CD2 3.4Å; Y122-W129 AromaticContact CD2-CE2 3.3Å; Y122-W129 HydrophobicContact CD2-CE3 4.02Å; Y122-W129 AromaticContact CD2-CG 3.58Å; Y122-W129 HydrophobicContact CD2-CG 3.58Å; Y122-W129 HydrophobicContact CD2-CH2 4.39Å; Y122-W129 AromaticContact CD2-CZ2 3.85Å; Y122-W129 HydrophobicContact CD2-CZ2 3.85Å; Y122-W129 HydrophobicContact CD2-CZ3 4.46Å; Y122-W129 AromaticContact CD2-NE1 3.39Å; Y122-W129 AromaticContact CE2-CD2 3.54Å; Y122-W129 HydrophobicContact CE2-CD2 3.54Å; Y122-W129 AromaticContact CE2-CE2 3.38Å; Y122-W129 AromaticContact CE2-CE3 3.72Å; Y122-W129 HydrophobicContact CE2-CE3 3.72Å; Y122-W129 HydrophobicContact CE2-CG 4.22Å; Y122-W129 AromaticContact CE2-CH2 3.62Å; Y122-W129 HydrophobicContact CE2-CH2 3.62Å; Y122-W129 AromaticContact CE2-CZ2 3.45Å; Y122-W129 HydrophobicContact CE2-CZ2 3.45Å; Y122-W129 VanDerWaalsContact CE2-CZ2 3.45Å; Y122-W129 AromaticContact CE2-CZ3 3.75Å; Y122-W129 HydrophobicContact CE2-CZ3 3.75Å; Y122-W129 AromaticContact CE2-NE1 3.96Å; Y122-W129 AromaticContact CG-CD1 3.97Å; Y122-W129 HydrophobicContact CG-CD2 4.44Å; Y122-W129 HydrophobicContact CG-CG 4.42Å; Y122-W129 AromaticContact CG-NE1 3.72Å; Y122-W129 AromaticContact CZ-CZ2 3.84Å |
| 123 | S | 69.4 | Low | 81.3 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 99.4 | 166.7 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | S125 E126 S127 L128 | S123-S125 PolarHBondContact O-N 3.3Å; S123-S125 PolarHBondContact OG-OG 3.35Å; S123-E126 PolarHBondContact O-N 2.65Å; S123-S127 WeakPolarHBondContact O-CA 3.47Å; S123-S127 PolarHBondContact O-N 3.21Å; S123-S127 VanDerWaalsContact O-N 3.13Å; S123-L128 PolarHBondContact N-O 3.18Å; S123-L128 PolarHBondContact O-N 3.48Å |
| 124 | R | 57.3 | Low | 81.6 | Confident | 148 Ų | 148 | 40.4 Ų | 40.4 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.9 | 173.2 | -60.4 | -174.5 | -175.4 | -164 | 3.2 | 113.4 | Y122 | Y122-R124 HydrophobicContact CD1-CG 3.71Å; Y122-R124 HydrophobicContact CE1-CB 4.29Å; Y122-R124 HydrophobicContact CE1-CG 3.73Å; Y122-R124 PolarHBondContact O-N 2.96Å |
| 125 | S | 51.4 | Low | 81.8 | Confident | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -37.3 | -174.3 | -20.3 | 0 | 0 | 0 | 0 | 113.4 | S12 G14 S123 | S12-S125 VanDerWaalsContact CB-CA 3.41Å; S12-S125 WeakPolarHBondContact O-CB 3.41Å; S12-S125 PolarHBondContact O-OG 2.95Å; S12-S125 WeakPolarHBondContact OG-CA 3.49Å; S12-S125 VanDerWaalsContact OG-CB 3.28Å; S12-S125 WeakPolarHBondContact OG-CB 3.46Å; S12-S125 PolarHBondContact OG-N 3.31Å; S12-S125 PolarHBondContact OG-OG 2.86Å; G14-S125 WeakPolarHBondContact CA-OG 3.48Å; G14-S125 PolarHBondContact N-OG 3.24Å; S123-S125 PolarHBondContact O-N 3.3Å; S123-S125 PolarHBondContact OG-OG 3.35Å |
| 126 | E | 59.3 | Low | 81.7 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 16% | 0.159 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 4.9 | -175.1 | -52.3 | -63.6 | 148.7 | 0 | 0 | 109.9 | R108 L110 S123 L128 | R108-E126 IonicContact CZ-OE2 2.74Å; R108-E126 IonicContact NH1-OE1 2.8Å; R108-E126 PolarHBondContact NH1-OE1 3.17Å; R108-E126 IonicContact NH1-OE2 2.71Å; R108-E126 PolarHBondContact NH1-OE2 3.39Å; R108-E126 IonicContact NH2-OE2 2.63Å; R108-E126 PolarHBondContact NH2-OE2 3.06Å; L110-E126 HydrophobicContact CD1-CB 4.37Å; L110-E126 HydrophobicContact CD1-CG 3.82Å; L110-E126 HydrophobicContact CD2-CG 3.62Å; L110-E126 HydrophobicContact CG-CG 4.33Å; S123-E126 PolarHBondContact O-N 2.65Å; E126-L128 HydrophobicContact CB-CB 3.73Å; E126-L128 PolarHBondContact O-N 3.05Å |
| 127 | S | 66.4 | Low | 81.7 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 42.9 | -164.9 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | Y122 S123 N166 | Y122-S127 VanDerWaalsContact CE2-C 3.45Å; S123-S127 WeakPolarHBondContact O-CA 3.47Å; S123-S127 PolarHBondContact O-N 3.21Å; S123-S127 VanDerWaalsContact O-N 3.13Å; S127-N166 CarbonylContact O-C 3.51Å; S127-N166 WeakPolarHBondContact O-CA 3.32Å |
| 128 | L | 78 | Confident | 81.7 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.4 | -163.8 | -172.2 | 73.7 | 0 | 0 | 0 | 111.9 | L102 L110 F112 S123 E126 T165 N166 W173 | L102-L128 HydrophobicContact CD2-CD2 3.55Å; L110-L128 HydrophobicContact CD1-CD2 3.68Å; F112-L128 HydrophobicContact CZ-CD2 4.17Å; S123-L128 PolarHBondContact N-O 3.18Å; S123-L128 PolarHBondContact O-N 3.48Å; E126-L128 HydrophobicContact CB-CB 3.73Å; E126-L128 PolarHBondContact O-N 3.05Å; L128-T165 WeakPolarHBondContact CD1-O 3.44Å; L128-N166 HydrophobicContact CD1-CB 3.91Å; L128-W173 HydrophobicContact CD1-CE3 4.23Å; L128-W173 HydrophobicContact CD1-CH2 3.63Å; L128-W173 HydrophobicContact CD1-CZ3 3.38Å; L128-W173 HydrophobicContact CD2-CZ3 4.35Å |
| 129 | W | 88.3 | Confident | 81.4 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 4% | 0.038 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139.9 | 167.7 | -65.9 | -92.5 | 0 | 0 | 0 | 110.5 | Y122 L144 A164 T165 P168 | Y122-W129 HydrophobicContact CD2-CB 4.46Å; Y122-W129 AromaticContact CD2-CD1 3.55Å; Y122-W129 AromaticContact CD2-CD2 3.4Å; Y122-W129 HydrophobicContact CD2-CD2 3.4Å; Y122-W129 AromaticContact CD2-CE2 3.3Å; Y122-W129 HydrophobicContact CD2-CE3 4.02Å; Y122-W129 AromaticContact CD2-CG 3.58Å; Y122-W129 HydrophobicContact CD2-CG 3.58Å; Y122-W129 HydrophobicContact CD2-CH2 4.39Å; Y122-W129 AromaticContact CD2-CZ2 3.85Å; Y122-W129 HydrophobicContact CD2-CZ2 3.85Å; Y122-W129 HydrophobicContact CD2-CZ3 4.46Å; Y122-W129 AromaticContact CD2-NE1 3.39Å; Y122-W129 AromaticContact CE2-CD2 3.54Å; Y122-W129 HydrophobicContact CE2-CD2 3.54Å; Y122-W129 AromaticContact CE2-CE2 3.38Å; Y122-W129 AromaticContact CE2-CE3 3.72Å; Y122-W129 HydrophobicContact CE2-CE3 3.72Å; Y122-W129 HydrophobicContact CE2-CG 4.22Å; Y122-W129 AromaticContact CE2-CH2 3.62Å; Y122-W129 HydrophobicContact CE2-CH2 3.62Å; Y122-W129 AromaticContact CE2-CZ2 3.45Å; Y122-W129 HydrophobicContact CE2-CZ2 3.45Å; Y122-W129 VanDerWaalsContact CE2-CZ2 3.45Å; Y122-W129 AromaticContact CE2-CZ3 3.75Å; Y122-W129 HydrophobicContact CE2-CZ3 3.75Å; Y122-W129 AromaticContact CE2-NE1 3.96Å; Y122-W129 AromaticContact CG-CD1 3.97Å; Y122-W129 HydrophobicContact CG-CD2 4.44Å; Y122-W129 HydrophobicContact CG-CG 4.42Å; Y122-W129 AromaticContact CG-NE1 3.72Å; Y122-W129 AromaticContact CZ-CZ2 3.84Å; W129-L144 HydrophobicContact CB-CD1 3.76Å; W129-L144 HydrophobicContact CD2-CD1 4.27Å; W129-L144 HydrophobicContact CD2-CD2 3.9Å; W129-L144 HydrophobicContact CD2-CG 4.49Å; W129-L144 HydrophobicContact CE3-CD2 4.21Å; W129-L144 HydrophobicContact CG-CD1 3.62Å; W129-L144 HydrophobicContact CG-CD2 4.14Å; W129-L144 HydrophobicContact CG-CG 4.29Å; W129-A164 CarbonylContact O-C 3.6Å; W129-A164 WeakPolarHBondContact O-CA 3.25Å; W129-T165 HydrophobicContact CB-CG2 4.32Å; W129-T165 HydrophobicContact CE3-CG2 4.3Å; W129-T165 PolarHBondContact N-O 2.75Å; W129-T165 PolarHBondContact O-N 3.31Å; W129-P168 HydrophobicContact CH2-CG 3.92Å; W129-P168 HydrophobicContact CZ3-CG 4.34Å |
| 130 | L | 92.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.8 | 164.9 | 179.4 | 71.5 | 0 | 0 | 0 | 107.1 | L93 L100 F112 L115 D120 G121 L163 A164 L175 | L93-L130 HydrophobicContact CD1-CD1 4.2Å; L93-L130 HydrophobicContact CD1-CD2 3.75Å; L93-L130 HydrophobicContact CD2-CD1 4.39Å; L93-L130 HydrophobicContact CD2-CD2 4.28Å; L100-L130 HydrophobicContact CB-CD2 4.34Å; L100-L130 HydrophobicContact CD1-CD2 3.91Å; F112-L130 HydrophobicContact CB-CD2 4.04Å; F112-L130 HydrophobicContact CD1-CB 3.97Å; F112-L130 HydrophobicContact CD1-CD2 4.21Å; F112-L130 HydrophobicContact CD2-CD2 3.94Å; F112-L130 HydrophobicContact CE1-CB 3.79Å; F112-L130 HydrophobicContact CE2-CB 4.46Å; F112-L130 HydrophobicContact CE2-CD2 4.43Å; F112-L130 HydrophobicContact CG-CB 4.39Å; F112-L130 HydrophobicContact CG-CD2 3.82Å; F112-L130 HydrophobicContact CZ-CB 4.05Å; L115-L130 HydrophobicContact CD1-CB 4.44Å; L115-L130 HydrophobicContact CD1-CD2 4.14Å; L115-L130 HydrophobicContact CD1-CG 4.02Å; L115-L130 WeakPolarHBondContact CD1-O 3.5Å; D120-L130 CarbonylContact C-O 2.71Å; D120-L130 VanDerWaalsContact CA-O 3.29Å; D120-L130 WeakPolarHBondContact CA-O 3.48Å; G121-L130 PolarHBondContact N-O 3.05Å; G121-L130 PolarHBondContact O-N 2.92Å; L130-L163 CarbonylContact C-O 3.58Å; L130-L163 WeakPolarHBondContact CA-O 3.34Å; L130-A164 HydrophobicContact CD1-CB 4.16Å; L130-L175 HydrophobicContact CD1-CD1 4.07Å |
| 131 | V | 93.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.6 | -178.3 | -165.3 | 0 | 0 | 0 | 0 | 109.4 | D120 L144 W148 Y162 L163 W172 | D120-V131 HydrophobicContact CB-CB 4.25Å; D120-V131 HydrophobicContact CB-CG1 4.13Å; D120-V131 HydrophobicContact CB-CG2 3.78Å; V131-L144 HydrophobicContact CG2-CD1 3.76Å; V131-W148 HydrophobicContact CB-CZ3 4.03Å; V131-W148 HydrophobicContact CG1-CE3 4.29Å; V131-W148 HydrophobicContact CG1-CH2 3.9Å; V131-W148 HydrophobicContact CG1-CZ3 3.47Å; V131-W148 VanDerWaalsContact CG1-CZ3 3.47Å; V131-Y162 CarbonylContact O-C 3.53Å; V131-Y162 WeakPolarHBondContact O-CA 3.4Å; V131-L163 PolarHBondContact N-O 2.94Å; V131-L163 PolarHBondContact O-N 2.76Å; V131-W172 HydrophobicContact CB-CZ3 4.49Å; V131-W172 HydrophobicContact CG2-CH2 3.72Å; V131-W172 HydrophobicContact CG2-CZ3 3.78Å |
| 132 | R | 92.9 | Very high | 80.2 | Confident | 39 Ų | 39 | 54 Ų | 54 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.8 | 170.3 | -170.4 | 175.3 | 175 | 173.7 | -0.6 | 110.4 | L115 G118 E119 P159 Y162 | L115-R132 HydrophobicContact CB-CB 4.1Å; L115-R132 WeakPolarHBondContact O-CD 3.43Å; L115-R132 PolarHBondContact O-NH1 2.68Å; G118-R132 WeakPolarHBondContact CA-O 3.46Å; G118-R132 PolarHBondContact N-O 3.42Å; E119-R132 PolarHBondContact O-N 3.32Å; R132-P159 PolarHBondContact NE-O 2.76Å; R132-P159 PolarHBondContact NH2-O 2.87Å; R132-Y162 HydrophobicContact CB-CD1 4.04Å; R132-Y162 HydrophobicContact CB-CE1 3.96Å; R132-Y162 HydrophobicContact CG-CD1 4.16Å; R132-Y162 HydrophobicContact CG-CE1 3.87Å; R132-Y162 HydrophobicContact CG-CE2 4.49Å |
| 133 | G | 91.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -62.5 | 172.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P117 G118 S158 P159 R161 | P117-G133 VanDerWaalsContact CA-O 3.27Å; P117-G133 WeakPolarHBondContact CA-O 3.37Å; P117-G133 WeakPolarHBondContact CB-O 3.11Å; G118-G133 PolarHBondContact N-O 3.4Å; G133-S158 CarbonylContact C-O 3.57Å; G133-S158 VanDerWaalsContact CA-O 3.3Å; G133-S158 WeakPolarHBondContact CA-O 3.29Å; G133-P159 WeakPolarHBondContact O-CA 3.39Å; G133-R161 PolarHBondContact N-O 3.22Å | ||
| 134 | G | 90 | Very high | 81.2 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | trans | 125.2 | 0.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | R156 L157 | G134-R156 PolarHBondContact N-O 2.95Å; G134-L157 WeakPolarHBondContact CA-O 3.18Å | ||
| 135 | V | 90.9 | Very high | 82.7 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 26% | 0.261 | 26% | 0.255 | S | S | . | . | trans | -128.9 | 137.4 | -179.4 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | L138 W148 R156 | V135-L138 HydrophobicContact CG2-CD2 3.97Å; V135-W148 HydrophobicContact CG2-CZ2 3.73Å; V135-W148 PolarHBondContact O-NE1 3.45Å; V135-R156 PolarHBondContact N-O 3.4Å | ||
| 136 | L | 89.1 | Confident | 84.2 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -66.1 | -42.6 | -179 | -171.3 | 72.3 | 0 | 0 | 0 | 111.5 | E153 R156 L157 | L136-E153 VanDerWaalsContact CD1-CD 3.42Å; L136-E153 HydrophobicContact CD1-CG 3.87Å; L136-E153 WeakPolarHBondContact CD1-OE2 3.5Å; L136-R156 WeakPolarHBondContact O-CD 3.14Å; L136-R156 PolarHBondContact O-NH1 2.89Å; L136-L157 HydrophobicContact CB-CD2 3.93Å; L136-L157 HydrophobicContact CD1-CD1 4.14Å; L136-L157 HydrophobicContact CD1-CD2 3.88Å; L136-L157 HydrophobicContact CD1-CG 4.17Å |
| 137 | R | 88 | Confident | 85.6 | Confident | 172 Ų | 172 | 48.1 Ų | 48.1 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | trans | -139.6 | 143.5 | -179 | -61 | -165.5 | 172.9 | 177.9 | -2 | 109.6 | ||||
| 138 | L | 86.2 | Confident | 86.7 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | trans | -79.5 | 160.5 | 158.1 | -57.7 | 178.1 | 0 | 0 | 0 | 108.8 | V135 H142 L144 W148 | V135-L138 HydrophobicContact CG2-CD2 3.97Å; L138-H142 HydrophobicContact CB-CB 4.15Å; L138-H142 WeakPolarHBondContact CD1-ND1 3.39Å; L138-L144 HydrophobicContact CD1-CB 4.09Å; L138-W148 HydrophobicContact CD1-CB 3.7Å; L138-W148 HydrophobicContact CD1-CD2 3.84Å; L138-W148 HydrophobicContact CD1-CE3 4.03Å; L138-W148 HydrophobicContact CD1-CG 3.72Å; L138-W148 HydrophobicContact CD2-CD2 4.42Å; L138-W148 HydrophobicContact CG-CB 4.06Å; L138-W148 HydrophobicContact CG-CD2 3.85Å; L138-W148 HydrophobicContact CG-CE3 4.44Å; L138-W148 HydrophobicContact CG-CG 3.67Å | ||
| 139 | D | 81.4 | Confident | 87.2 | Confident | 122 Ų | 122 | 49 Ų | 49 | 65% | 0.652 | 26% | 0.263 | S | S | * | . | trans | -58.7 | 147 | 172.8 | -177 | -100.6 | 0 | 0 | 0 | 111.6 | G141 H142 A145 | D139-G141 PolarHBondContact O-N 2.9Å; D139-G141 WeakPolarHBondContact OD1-CA 3.43Å; D139-G141 PolarHBondContact OD1-N 3.35Å; D139-H142 WeakPolarHBondContact O-CB 3.3Å; D139-H142 PolarHBondContact O-N 2.89Å; D139-A145 WeakPolarHBondContact O-CB 3.36Å | ||
| 140 | E | 76.7 | Confident | 86.9 | Confident | 177 Ų | 177 | 50 Ų | 50 | 83% | 0.827 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | -176.5 | -68 | -177 | 176 | 0 | 0 | 112.9 | H142 | E140-H142 VanDerWaalsContact C-N 3.3Š|
| 141 | G | 77.9 | Confident | 86.7 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 71% | 0.711 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D139 | D139-G141 PolarHBondContact O-N 2.9Å; D139-G141 WeakPolarHBondContact OD1-CA 3.43Å; D139-G141 PolarHBondContact OD1-N 3.35Å |
| 142 | H | 84.1 | Confident | 86.4 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -75.3 | 131.4 | -178.2 | -167 | -96.9 | 0 | 0 | 0 | 111.8 | D120 L138 D139 E140 L144 A145 | D120-H142 IonicContact OD1-NE2 2.89Å; D120-H142 IonicContact OD2-NE2 3.29Å; L138-H142 HydrophobicContact CB-CB 4.15Å; L138-H142 WeakPolarHBondContact CD1-ND1 3.39Å; D139-H142 WeakPolarHBondContact O-CB 3.3Å; D139-H142 PolarHBondContact O-N 2.89Å; E140-H142 VanDerWaalsContact C-N 3.3Å; H142-L144 PolarHBondContact ND1-N 2.94Å; H142-L144 PolarHBondContact O-N 3.27Å; H142-A145 HydrophobicContact CB-CB 4.37Å; H142-A145 WeakPolarHBondContact O-CB 3.46Å; H142-A145 PolarHBondContact O-N 3.02Å |
| 143 | R | 82.6 | Confident | 86.2 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 28% | 0.275 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.4 | -176.5 | -73.5 | -175.5 | 174.5 | -174.3 | -5 | 115 | ||
| 144 | L | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 4.4 | 178.2 | -52.2 | 178.3 | 0 | 0 | 0 | 113.4 | W129 V131 L138 H142 A146 L147 W148 T165 W172 | W129-L144 HydrophobicContact CB-CD1 3.76Å; W129-L144 HydrophobicContact CD2-CD1 4.27Å; W129-L144 HydrophobicContact CD2-CD2 3.9Å; W129-L144 HydrophobicContact CD2-CG 4.49Å; W129-L144 HydrophobicContact CE3-CD2 4.21Å; W129-L144 HydrophobicContact CG-CD1 3.62Å; W129-L144 HydrophobicContact CG-CD2 4.14Å; W129-L144 HydrophobicContact CG-CG 4.29Å; V131-L144 HydrophobicContact CG2-CD1 3.76Å; L138-L144 HydrophobicContact CD1-CB 4.09Å; H142-L144 PolarHBondContact ND1-N 2.94Å; H142-L144 PolarHBondContact O-N 3.27Å; L144-A146 PolarHBondContact O-N 3.11Å; L144-L147 PolarHBondContact O-N 2.95Å; L144-W148 VanDerWaalsContact O-CB 3.26Å; L144-W148 WeakPolarHBondContact O-CB 3.25Å; L144-W148 PolarHBondContact O-N 2.9Å; L144-T165 HydrophobicContact CD2-CG2 4.11Å; L144-W172 HydrophobicContact CB-CH2 4.23Å; L144-W172 HydrophobicContact CB-CZ2 4.35Å; L144-W172 HydrophobicContact CD1-CH2 3.73Å; L144-W172 HydrophobicContact CD1-CZ3 4.44Å; L144-W172 HydrophobicContact CG-CH2 4.43Å |
| 145 | A | 87.5 | Confident | 85.6 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.9 | -51.5 | -171 | 0 | 0 | 0 | 0 | 0 | 112.9 | D139 H142 L147 W148 Q149 | D139-A145 WeakPolarHBondContact O-CB 3.36Å; H142-A145 HydrophobicContact CB-CB 4.37Å; H142-A145 WeakPolarHBondContact O-CB 3.46Å; H142-A145 PolarHBondContact O-N 3.02Å; A145-L147 PolarHBondContact O-N 2.85Å; A145-W148 WeakPolarHBondContact O-CB 3.33Å; A145-W148 PolarHBondContact O-N 2.9Å; A145-W148 VanDerWaalsContact O-N 3.17Å; A145-Q149 WeakPolarHBondContact O-CG 3.28Å; A145-Q149 PolarHBondContact O-N 2.74Å |
| 146 | A | 83.1 | Confident | 85.5 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L144 W148 Q149 A150 | L144-A146 PolarHBondContact O-N 3.11Å; A146-W148 VanDerWaalsContact C-N 3.31Å; A146-W148 PolarHBondContact O-N 2.9Å; A146-Q149 PolarHBondContact O-N 3.45Å; A146-A150 PolarHBondContact O-N 3.03Å |
| 147 | L | 88.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 178 | -165.5 | 72.4 | 0 | 0 | 0 | 112.8 | L144 A145 A150 T165 P168 Q169 G170 W172 R204 | L144-L147 PolarHBondContact O-N 2.95Å; A145-L147 PolarHBondContact O-N 2.85Å; L147-A150 PolarHBondContact O-N 3.23Å; L147-T165 HydrophobicContact CD2-CG2 4.09Å; L147-P168 WeakPolarHBondContact CB-O 3.23Å; L147-Q169 VanDerWaalsContact CD1-C 3.44Å; L147-Q169 WeakPolarHBondContact CD1-O 3.31Å; L147-G170 VanDerWaalsContact CD2-CA 3.48Å; L147-W172 HydrophobicContact CB-CZ2 4.42Å; L147-W172 HydrophobicContact CD2-CD2 4.08Å; L147-W172 HydrophobicContact CD2-CG 4.39Å; L147-W172 HydrophobicContact CD2-CZ2 3.94Å; L147-W172 HydrophobicContact CG-CZ2 4.24Å; L147-W172 PolarHBondContact O-NE1 2.82Å; L147-R204 HydrophobicContact CD1-CB 3.74Å |
| 148 | W | 90.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 173.4 | -172.9 | -95.2 | 0 | 0 | 0 | 110.9 | V131 V135 L138 L144 A145 A146 A150 L151 R156 L163 W172 | V131-W148 HydrophobicContact CB-CZ3 4.03Å; V131-W148 HydrophobicContact CG1-CE3 4.29Å; V131-W148 HydrophobicContact CG1-CH2 3.9Å; V131-W148 HydrophobicContact CG1-CZ3 3.47Å; V131-W148 VanDerWaalsContact CG1-CZ3 3.47Å; V135-W148 HydrophobicContact CG2-CZ2 3.73Å; V135-W148 PolarHBondContact O-NE1 3.45Å; L138-W148 HydrophobicContact CD1-CB 3.7Å; L138-W148 HydrophobicContact CD1-CD2 3.84Å; L138-W148 HydrophobicContact CD1-CE3 4.03Å; L138-W148 HydrophobicContact CD1-CG 3.72Å; L138-W148 HydrophobicContact CD2-CD2 4.42Å; L138-W148 HydrophobicContact CG-CB 4.06Å; L138-W148 HydrophobicContact CG-CD2 3.85Å; L138-W148 HydrophobicContact CG-CE3 4.44Å; L138-W148 HydrophobicContact CG-CG 3.67Å; L144-W148 VanDerWaalsContact O-CB 3.26Å; L144-W148 WeakPolarHBondContact O-CB 3.25Å; L144-W148 PolarHBondContact O-N 2.9Å; A145-W148 WeakPolarHBondContact O-CB 3.33Å; A145-W148 PolarHBondContact O-N 2.9Å; A145-W148 VanDerWaalsContact O-N 3.17Å; A146-W148 VanDerWaalsContact C-N 3.31Å; A146-W148 PolarHBondContact O-N 2.9Å; W148-A150 PolarHBondContact O-N 3.38Å; W148-L151 HydrophobicContact CD2-CD1 4.27Å; W148-L151 HydrophobicContact CE3-CD1 3.96Å; W148-L151 HydrophobicContact CZ3-CD1 4.37Å; W148-L151 VanDerWaalsContact O-CB 3.29Å; W148-L151 WeakPolarHBondContact O-CB 3.45Å; W148-L151 PolarHBondContact O-N 2.99Å; W148-R156 HydrophobicContact CD2-CG 4.39Å; W148-R156 HydrophobicContact CZ2-CB 4.07Å; W148-R156 HydrophobicContact CZ2-CG 4.24Å; W148-R156 WeakPolarHBondContact O-CD 3.49Å; W148-L163 HydrophobicContact CH2-CD1 4.28Å; W148-L163 HydrophobicContact CZ3-CD1 4.13Å; W148-W172 HydrophobicContact CE3-CH2 4.15Å; W148-W172 AromaticContact CE3-CZ2 3.87Å; W148-W172 HydrophobicContact CE3-CZ2 3.87Å |
| 149 | Q | 87.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 53.1 Ų | 53.1 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -24.7 | 177.7 | -56.6 | -51.8 | -18.8 | 0 | 0 | 113.1 | A145 A146 L151 | A145-Q149 WeakPolarHBondContact O-CG 3.28Å; A145-Q149 PolarHBondContact O-N 2.74Å; A146-Q149 PolarHBondContact O-N 3.45Å; Q149-L151 PolarHBondContact O-N 3.3Å |
| 150 | A | 83.2 | Confident | 85.6 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A146 L147 W148 | A146-A150 PolarHBondContact O-N 3.03Å; L147-A150 PolarHBondContact O-N 3.23Å; W148-A150 PolarHBondContact O-N 3.38Å |
| 151 | L | 88.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -79 | 137.3 | 173.8 | -68.8 | 162.5 | 0 | 0 | 0 | 112 | W148 Q149 L155 R156 L163 W172 L174 V202 | W148-L151 HydrophobicContact CD2-CD1 4.27Å; W148-L151 HydrophobicContact CE3-CD1 3.96Å; W148-L151 HydrophobicContact CZ3-CD1 4.37Å; W148-L151 VanDerWaalsContact O-CB 3.29Å; W148-L151 WeakPolarHBondContact O-CB 3.45Å; W148-L151 PolarHBondContact O-N 2.99Å; Q149-L151 PolarHBondContact O-N 3.3Å; L151-L155 HydrophobicContact CD2-CD1 4.07Å; L151-R156 HydrophobicContact CB-CG 3.76Å; L151-R156 HydrophobicContact CD1-CG 4.27Å; L151-R156 PolarHBondContact O-NE 3.37Å; L151-L163 HydrophobicContact CD1-CD2 3.35Å; L151-L163 HydrophobicContact CD2-CD2 3.91Å; L151-L163 HydrophobicContact CG-CD2 4.29Å; L151-W172 HydrophobicContact CD1-CD2 4.33Å; L151-W172 HydrophobicContact CD1-CG 4.24Å; L151-W172 HydrophobicContact CD1-CZ2 4.44Å; L151-W172 HydrophobicContact CD2-CB 4.22Å; L151-W172 VanDerWaalsContact CD2-CD1 3.41Å; L151-W172 HydrophobicContact CD2-CG 3.93Å; L151-W172 VanDerWaalsContact CG-CD1 3.48Å; L151-W172 HydrophobicContact CG-CG 4.28Å; L151-L174 HydrophobicContact CD2-CD2 4.25Å; L151-V202 HydrophobicContact CD2-CB 4.07Å; L151-V202 HydrophobicContact CD2-CG1 4.27Å; L151-V202 HydrophobicContact CD2-CG2 4.08Å |
| 152 | P | 85 | Confident | 86.9 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | trans | -47.9 | 141.1 | 162.9 | -28.1 | 33.2 | 0 | 0 | 0 | 112.8 | E154 L155 R156 | P152-E154 VanDerWaalsContact C-N 3.3Å; P152-E154 PolarHBondContact O-N 3.04Å; P152-L155 HydrophobicContact CB-CD1 4.46Å; P152-L155 HydrophobicContact CB-CG 4.26Å; P152-L155 HydrophobicContact CG-CD1 4.27Å; P152-L155 WeakPolarHBondContact O-CB 3.35Å; P152-L155 PolarHBondContact O-N 3.02Å; P152-R156 PolarHBondContact O-N 2.86Å | ||
| 153 | E | 88.5 | Confident | 87.4 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.5 | -40.8 | -172.7 | -170.4 | 141.9 | 125.3 | 0 | 0 | 113.8 | L136 L155 R156 L157 | L136-E153 VanDerWaalsContact CD1-CD 3.42Å; L136-E153 HydrophobicContact CD1-CG 3.87Å; L136-E153 WeakPolarHBondContact CD1-OE2 3.5Å; E153-L155 PolarHBondContact O-N 2.9Å; E153-R156 VanDerWaalsContact CA-NH2 3.3Å; E153-R156 VanDerWaalsContact CB-NH2 3.35Å; E153-R156 PolarHBondContact O-N 2.84Å; E153-R156 VanDerWaalsContact O-N 3.08Å; E153-R156 IonicContact OE2-CZ 2.94Å; E153-R156 IonicContact OE2-NH1 2.83Å; E153-R156 PolarHBondContact OE2-NH1 3.13Å; E153-R156 IonicContact OE2-NH2 3.1Å; E153-R156 PolarHBondContact OE2-NH2 3.07Å; E153-L157 HydrophobicContact CG-CD1 3.66Å; E153-L157 HydrophobicContact CG-CG 4.13Å; E153-L157 PolarHBondContact O-N 3.01Å |
| 154 | E | 83.3 | Confident | 87.8 | Confident | 157 Ų | 157 | 33.2 Ų | 33.2 | 73% | 0.734 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -57.2 | -31 | 176 | -61.6 | 162.8 | -153.2 | 0 | 0 | 112.7 | P152 | P152-E154 VanDerWaalsContact C-N 3.3Å; P152-E154 PolarHBondContact O-N 3.04Å |
| 155 | L | 85.6 | Confident | 87.9 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -79.1 | -38.5 | 176.2 | -57.4 | -173.7 | 0 | 0 | 0 | 111.9 | L151 P152 E153 L174 V202 | L151-L155 HydrophobicContact CD2-CD1 4.07Å; P152-L155 HydrophobicContact CB-CD1 4.46Å; P152-L155 HydrophobicContact CB-CG 4.26Å; P152-L155 HydrophobicContact CG-CD1 4.27Å; P152-L155 WeakPolarHBondContact O-CB 3.35Å; P152-L155 PolarHBondContact O-N 3.02Å; E153-L155 PolarHBondContact O-N 2.9Å; L155-L174 HydrophobicContact CD1-CD1 3.69Å; L155-L174 HydrophobicContact CD1-CD2 4.08Å; L155-L174 HydrophobicContact CD2-CD1 4.39Å; L155-V202 HydrophobicContact CD1-CG2 4.15Å |
| 156 | R | 90.1 | Very high | 87.5 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 178.8 | -67.8 | -173.7 | -91.2 | 111.4 | 0.4 | 112 | G134 V135 L136 W148 L151 P152 E153 | G134-R156 PolarHBondContact N-O 2.95Å; V135-R156 PolarHBondContact N-O 3.4Å; L136-R156 WeakPolarHBondContact O-CD 3.14Å; L136-R156 PolarHBondContact O-NH1 2.89Å; W148-R156 HydrophobicContact CD2-CG 4.39Å; W148-R156 HydrophobicContact CZ2-CB 4.07Å; W148-R156 HydrophobicContact CZ2-CG 4.24Å; W148-R156 WeakPolarHBondContact O-CD 3.49Å; L151-R156 HydrophobicContact CB-CG 3.76Å; L151-R156 HydrophobicContact CD1-CG 4.27Å; L151-R156 PolarHBondContact O-NE 3.37Å; P152-R156 PolarHBondContact O-N 2.86Å; E153-R156 VanDerWaalsContact CA-NH2 3.3Å; E153-R156 VanDerWaalsContact CB-NH2 3.35Å; E153-R156 PolarHBondContact O-N 2.84Å; E153-R156 VanDerWaalsContact O-N 3.08Å; E153-R156 IonicContact OE2-CZ 2.94Å; E153-R156 IonicContact OE2-NH1 2.83Å; E153-R156 PolarHBondContact OE2-NH1 3.13Å; E153-R156 IonicContact OE2-NH2 3.1Å; E153-R156 PolarHBondContact OE2-NH2 3.07Å |
| 157 | L | 89.6 | Confident | 87.3 | Confident | 65 Ų | 65 | 35.5 Ų | 35.5 | 34% | 0.34 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -79.2 | -16.1 | -173.6 | -69 | 178.3 | 0 | 0 | 0 | 114.8 | G134 L136 E153 P159 | G134-L157 WeakPolarHBondContact CA-O 3.18Å; L136-L157 HydrophobicContact CB-CD2 3.93Å; L136-L157 HydrophobicContact CD1-CD1 4.14Å; L136-L157 HydrophobicContact CD1-CD2 3.88Å; L136-L157 HydrophobicContact CD1-CG 4.17Å; E153-L157 HydrophobicContact CG-CD1 3.66Å; E153-L157 HydrophobicContact CG-CG 4.13Å; E153-L157 PolarHBondContact O-N 3.01Å; L157-P159 VanDerWaalsContact O-CD 3.22Å; L157-P159 WeakPolarHBondContact O-CD 3.36Å |
| 158 | S | 87 | Confident | 87.1 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -78.2 | 111.7 | -176 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | G133 H160 R161 | G133-S158 CarbonylContact C-O 3.57Å; G133-S158 VanDerWaalsContact CA-O 3.3Å; G133-S158 WeakPolarHBondContact CA-O 3.29Å; S158-H160 PolarHBondContact O-N 2.93Å; S158-R161 PolarHBondContact O-N 2.85Å | ||
| 159 | P | 85.8 | Confident | 86.7 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 0.8 | 179.4 | 34.1 | -37.8 | 0 | 0 | 0 | 113.9 | P117 R132 G133 L157 | P117-P159 HydrophobicContact CB-CB 3.94Å; P117-P159 HydrophobicContact CG-CB 3.96Å; R132-P159 PolarHBondContact NE-O 2.76Å; R132-P159 PolarHBondContact NH2-O 2.87Å; G133-P159 WeakPolarHBondContact O-CA 3.39Å; L157-P159 VanDerWaalsContact O-CD 3.22Å; L157-P159 WeakPolarHBondContact O-CD 3.36Å |
| 160 | H | 84.4 | Confident | 86.3 | Confident | 29 Ų | 29 | 34.8 Ų | 34.8 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -13.5 | -178.1 | -58 | -52.2 | 0 | 0 | 0 | 113.5 | S158 R196 | S158-H160 PolarHBondContact O-N 2.93Å; H160-R196 PolarHBondContact O-NE 2.73Å |
| 161 | R | 88.4 | Confident | 86.6 | Confident | 47 Ų | 47 | 35.2 Ų | 35.2 | 18% | 0.177 | 18% | 0.184 | C | C | . | . | trans | -90.8 | 142.6 | 173.4 | -66.6 | -178.9 | -175.5 | -95.6 | 3.3 | 110.7 | G133 S158 V181 | G133-R161 PolarHBondContact N-O 3.22Å; S158-R161 PolarHBondContact O-N 2.85Å; R161-V181 HydrophobicContact CG-CG1 3.81Å | ||
| 162 | Y | 93 | Very high | 86.8 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.1 | 162.6 | -67.5 | -103.7 | 0 | 0 | 0 | 108 | L93 L95 L100 L115 V131 R132 L175 R196 | L93-Y162 HydrophobicContact CD2-CD1 3.58Å; L93-Y162 HydrophobicContact CD2-CD2 3.89Å; L93-Y162 HydrophobicContact CD2-CE1 3.98Å; L93-Y162 HydrophobicContact CD2-CE2 4.25Å; L93-Y162 HydrophobicContact CD2-CG 3.52Å; L95-Y162 HydrophobicContact CD2-CE2 4.25Å; L100-Y162 HydrophobicContact CD1-CD1 4.28Å; L100-Y162 HydrophobicContact CD1-CE1 3.61Å; L100-Y162 HydrophobicContact CD2-CE1 4.36Å; L115-Y162 HydrophobicContact CB-CE1 4.48Å; V131-Y162 CarbonylContact O-C 3.53Å; V131-Y162 WeakPolarHBondContact O-CA 3.4Å; R132-Y162 HydrophobicContact CB-CD1 4.04Å; R132-Y162 HydrophobicContact CB-CE1 3.96Å; R132-Y162 HydrophobicContact CG-CD1 4.16Å; R132-Y162 HydrophobicContact CG-CE1 3.87Å; R132-Y162 HydrophobicContact CG-CE2 4.49Å; Y162-L175 PolarHBondContact N-O 3.28Å; Y162-L175 WeakPolarHBondContact O-CA 3.38Å; Y162-L175 WeakPolarHBondContact O-CB 3.23Å; Y162-L175 PolarHBondContact O-N 2.81Å; Y162-R196 HydrophobicContact CD2-CG 3.89Å; Y162-R196 HydrophobicContact CE2-CG 4.27Å |
| 163 | L | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138.3 | 179.2 | -58.8 | 92 | 0 | 0 | 0 | 107.7 | L130 V131 W148 L151 W172 W173 L174 | L130-L163 CarbonylContact C-O 3.58Å; L130-L163 WeakPolarHBondContact CA-O 3.34Å; V131-L163 PolarHBondContact N-O 2.94Å; V131-L163 PolarHBondContact O-N 2.76Å; W148-L163 HydrophobicContact CH2-CD1 4.28Å; W148-L163 HydrophobicContact CZ3-CD1 4.13Å; L151-L163 HydrophobicContact CD1-CD2 3.35Å; L151-L163 HydrophobicContact CD2-CD2 3.91Å; L151-L163 HydrophobicContact CG-CD2 4.29Å; L163-W172 HydrophobicContact CB-CD2 4.3Å; L163-W172 HydrophobicContact CB-CE3 3.64Å; L163-W172 HydrophobicContact CB-CZ3 3.96Å; L163-W172 HydrophobicContact CD2-CB 4.49Å; L163-W172 HydrophobicContact CD2-CD2 4.18Å; L163-W172 HydrophobicContact CD2-CE3 4.36Å; L163-W172 HydrophobicContact CD2-CG 4.28Å; L163-W173 WeakPolarHBondContact CA-O 3.15Å; L163-L174 HydrophobicContact CD2-CD2 3.63Å; L163-L174 HydrophobicContact CG-CD2 4.09Å |
| 164 | A | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L102 W129 L130 W172 W173 L175 | L102-A164 HydrophobicContact CD2-CB 4.47Å; W129-A164 CarbonylContact O-C 3.6Å; W129-A164 WeakPolarHBondContact O-CA 3.25Å; L130-A164 HydrophobicContact CD1-CB 4.16Å; A164-W172 CarbonylContact O-C 3.34Å; A164-W173 HydrophobicContact CB-CB 4.29Å; A164-W173 HydrophobicContact CB-CD2 4.42Å; A164-W173 HydrophobicContact CB-CE3 3.76Å; A164-W173 HydrophobicContact CB-CZ3 4.47Å; A164-W173 PolarHBondContact N-O 2.8Å; A164-W173 WeakPolarHBondContact O-CB 3.33Å; A164-W173 PolarHBondContact O-N 2.87Å; A164-L175 HydrophobicContact CB-CD1 4.33Å |
| 165 | T | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.1 | 171 | -167.1 | 0 | 0 | 0 | 0 | 110.4 | L128 W129 L144 L147 S167 G170 P171 W172 | L128-T165 WeakPolarHBondContact CD1-O 3.44Å; W129-T165 HydrophobicContact CB-CG2 4.32Å; W129-T165 HydrophobicContact CE3-CG2 4.3Å; W129-T165 PolarHBondContact N-O 2.75Å; W129-T165 PolarHBondContact O-N 3.31Å; L144-T165 HydrophobicContact CD2-CG2 4.11Å; L147-T165 HydrophobicContact CD2-CG2 4.09Å; T165-S167 WeakPolarHBondContact CG2-O 3.32Å; T165-S167 PolarHBondContact OG1-O 2.76Å; T165-G170 WeakPolarHBondContact OG1-CA 3.25Å; T165-P171 WeakPolarHBondContact CB-O 3.33Å; T165-P171 PolarHBondContact OG1-O 2.95Å; T165-W172 HydrophobicContact CG2-CE3 3.87Å; T165-W172 HydrophobicContact CG2-CH2 4.08Å; T165-W172 HydrophobicContact CG2-CZ3 3.6Å |
| 166 | N | 78.9 | Confident | 87.9 | Confident | 80 Ų | 80 | 22.3 Ų | 22.3 | 43% | 0.428 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -101.5 | 8.9 | 176.9 | 67.5 | -32 | 0 | 0 | 0 | 113.2 | S127 L128 W173 | S127-N166 CarbonylContact O-C 3.51Å; S127-N166 WeakPolarHBondContact O-CA 3.32Å; L128-N166 HydrophobicContact CD1-CB 3.91Å; N166-W173 HydrophobicContact CB-CH2 4.37Å |
| 167 | S | 80.1 | Confident | 87.5 | Confident | 27 Ų | 27 | 23 Ų | 23 | 19% | 0.189 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -152.1 | 140.8 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | T165 Q169 G170 | T165-S167 WeakPolarHBondContact CG2-O 3.32Å; T165-S167 PolarHBondContact OG1-O 2.76Å; S167-Q169 PolarHBondContact O-N 3.13Å; S167-Q169 PolarHBondContact OG-N 3.49Å; S167-Q169 VanDerWaalsContact OG-N 3.1Å; S167-G170 PolarHBondContact O-N 3.48Å |
| 168 | P | 82.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -14.7 | 166.7 | -25.7 | 36.6 | 0 | 0 | 0 | 114.5 | W129 L147 H460 | W129-P168 HydrophobicContact CH2-CG 3.92Å; W129-P168 HydrophobicContact CZ3-CG 4.34Å; L147-P168 WeakPolarHBondContact CB-O 3.23Å; P168-H460 HydrophobicContact CB-CB 4.36Å |
| 169 | Q | 82.4 | Confident | 85.4 | Confident | 50 Ų | 50 | 27.6 Ų | 27.6 | 23% | 0.234 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -0.2 | 176.3 | -65.7 | 163.9 | 73.3 | 0 | 0 | 113.4 | L147 S167 H460 | L147-Q169 VanDerWaalsContact CD1-C 3.44Å; L147-Q169 WeakPolarHBondContact CD1-O 3.31Å; S167-Q169 PolarHBondContact O-N 3.13Å; S167-Q169 PolarHBondContact OG-N 3.49Å; S167-Q169 VanDerWaalsContact OG-N 3.1Å; Q169-H460 HydrophobicContact CG-CB 4.34Å; Q169-H460 PolarHBondContact NE2-O 3.09Å |
| 170 | G | 80.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | trans | 82.4 | -165.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L147 T165 S167 | L147-G170 VanDerWaalsContact CD2-CA 3.48Å; T165-G170 WeakPolarHBondContact OG1-CA 3.25Å; S167-G170 PolarHBondContact O-N 3.48Å | ||
| 171 | P | 89 | Confident | 83.6 | Confident | 37 Ų | 37 | 32.7 Ų | 32.7 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | cis | -71.8 | 163.3 | 0.8 | 30.8 | -36 | 0 | 0 | 0 | 113.2 | L59 T165 V202 | L59-P171 HydrophobicContact CD2-CB 4.09Å; L59-P171 HydrophobicContact CD2-CG 4.34Å; T165-P171 WeakPolarHBondContact CB-O 3.33Å; T165-P171 PolarHBondContact OG1-O 2.95Å; P171-V202 CarbonylContact C-O 3.52Å; P171-V202 VanDerWaalsContact CA-O 3.29Å; P171-V202 WeakPolarHBondContact CA-O 3.45Å; P171-V202 VanDerWaalsContact CB-O 3.29Å; P171-V202 WeakPolarHBondContact CB-O 3.22Å | ||
| 172 | W | 92.7 | Very high | 82.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 137.3 | 163.3 | -74.4 | 117.3 | 0 | 0 | 0 | 111.1 | V131 L144 L147 W148 L151 L163 A164 T165 L174 L201 V202 | V131-W172 HydrophobicContact CB-CZ3 4.49Å; V131-W172 HydrophobicContact CG2-CH2 3.72Å; V131-W172 HydrophobicContact CG2-CZ3 3.78Å; L144-W172 HydrophobicContact CB-CH2 4.23Å; L144-W172 HydrophobicContact CB-CZ2 4.35Å; L144-W172 HydrophobicContact CD1-CH2 3.73Å; L144-W172 HydrophobicContact CD1-CZ3 4.44Å; L144-W172 HydrophobicContact CG-CH2 4.43Å; L147-W172 HydrophobicContact CB-CZ2 4.42Å; L147-W172 HydrophobicContact CD2-CD2 4.08Å; L147-W172 HydrophobicContact CD2-CG 4.39Å; L147-W172 HydrophobicContact CD2-CZ2 3.94Å; L147-W172 HydrophobicContact CG-CZ2 4.24Å; L147-W172 PolarHBondContact O-NE1 2.82Å; W148-W172 HydrophobicContact CE3-CH2 4.15Å; W148-W172 AromaticContact CE3-CZ2 3.87Å; W148-W172 HydrophobicContact CE3-CZ2 3.87Å; L151-W172 HydrophobicContact CD1-CD2 4.33Å; L151-W172 HydrophobicContact CD1-CG 4.24Å; L151-W172 HydrophobicContact CD1-CZ2 4.44Å; L151-W172 HydrophobicContact CD2-CB 4.22Å; L151-W172 VanDerWaalsContact CD2-CD1 3.41Å; L151-W172 HydrophobicContact CD2-CG 3.93Å; L151-W172 VanDerWaalsContact CG-CD1 3.48Å; L151-W172 HydrophobicContact CG-CG 4.28Å; L163-W172 HydrophobicContact CB-CD2 4.3Å; L163-W172 HydrophobicContact CB-CE3 3.64Å; L163-W172 HydrophobicContact CB-CZ3 3.96Å; L163-W172 HydrophobicContact CD2-CB 4.49Å; L163-W172 HydrophobicContact CD2-CD2 4.18Å; L163-W172 HydrophobicContact CD2-CE3 4.36Å; L163-W172 HydrophobicContact CD2-CG 4.28Å; A164-W172 CarbonylContact O-C 3.34Å; T165-W172 HydrophobicContact CG2-CE3 3.87Å; T165-W172 HydrophobicContact CG2-CH2 4.08Å; T165-W172 HydrophobicContact CG2-CZ3 3.6Å; W172-L174 HydrophobicContact CB-CD2 4.42Å; W172-L201 CarbonylContact O-C 3.51Å; W172-L201 WeakPolarHBondContact O-CA 3.41Å; W172-V202 HydrophobicContact CB-CB 4.41Å; W172-V202 PolarHBondContact N-O 2.84Å; W172-V202 PolarHBondContact O-N 3Å |
| 173 | W | 92.8 | Very high | 81.3 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.3 | 171.6 | -52.6 | -16.5 | 0 | 0 | 0 | 108.6 | L128 L163 A164 N166 L175 L198 L201 | L128-W173 HydrophobicContact CD1-CE3 4.23Å; L128-W173 HydrophobicContact CD1-CH2 3.63Å; L128-W173 HydrophobicContact CD1-CZ3 3.38Å; L128-W173 HydrophobicContact CD2-CZ3 4.35Å; L163-W173 WeakPolarHBondContact CA-O 3.15Å; A164-W173 HydrophobicContact CB-CB 4.29Å; A164-W173 HydrophobicContact CB-CD2 4.42Å; A164-W173 HydrophobicContact CB-CE3 3.76Å; A164-W173 HydrophobicContact CB-CZ3 4.47Å; A164-W173 PolarHBondContact N-O 2.8Å; A164-W173 WeakPolarHBondContact O-CB 3.33Å; A164-W173 PolarHBondContact O-N 2.87Å; N166-W173 HydrophobicContact CB-CH2 4.37Å; W173-L175 PolarHBondContact O-N 3.28Å; W173-L198 HydrophobicContact CB-CD1 3.8Å; W173-L201 HydrophobicContact CB-CD2 4.42Å; W173-L201 VanDerWaalsContact CD1-CD2 3.44Å; W173-L201 HydrophobicContact CG-CD2 4.14Å |
| 174 | L | 92.6 | Very high | 80 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.8 | -174.3 | -56.3 | -176.9 | 0 | 0 | 0 | 111.3 | L151 L155 L163 W172 T199 G200 V202 | L151-L174 HydrophobicContact CD2-CD2 4.25Å; L155-L174 HydrophobicContact CD1-CD1 3.69Å; L155-L174 HydrophobicContact CD1-CD2 4.08Å; L155-L174 HydrophobicContact CD2-CD1 4.39Å; L163-L174 HydrophobicContact CD2-CD2 3.63Å; L163-L174 HydrophobicContact CG-CD2 4.09Å; W172-L174 HydrophobicContact CB-CD2 4.42Å; L174-T199 PolarHBondContact O-N 2.9Å; L174-T199 PolarHBondContact O-OG1 2.87Å; L174-G200 PolarHBondContact N-O 2.82Å; L174-V202 HydrophobicContact CD1-CG2 3.67Å; L174-V202 HydrophobicContact CD2-CG2 4.09Å; L174-V202 HydrophobicContact CG-CG2 3.98Å |
| 175 | L | 92 | Very high | 79 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 103.5 | -179.6 | -58.9 | 169 | 0 | 0 | 0 | 109.9 | I91 L93 L102 L130 Y162 A164 W173 R196 V197 L198 | I91-L175 HydrophobicContact CG2-CD2 4.03Å; L93-L175 HydrophobicContact CB-CD1 4.37Å; L102-L175 HydrophobicContact CD1-CD1 3.7Å; L130-L175 HydrophobicContact CD1-CD1 4.07Å; Y162-L175 PolarHBondContact N-O 3.28Å; Y162-L175 WeakPolarHBondContact O-CA 3.38Å; Y162-L175 WeakPolarHBondContact O-CB 3.23Å; Y162-L175 PolarHBondContact O-N 2.81Å; A164-L175 HydrophobicContact CB-CD1 4.33Å; W173-L175 PolarHBondContact O-N 3.28Å; L175-R196 HydrophobicContact CB-CB 4.04Å; L175-V197 CarbonylContact C-O 3.29Å; L175-V197 WeakPolarHBondContact CA-O 3.25Å; L175-L198 HydrophobicContact CD2-CB 4.38Å; L175-L198 HydrophobicContact CD2-CD1 4.22Å |
| 176 | G | 88.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -174.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R196 V197 | G176-R196 CarbonylContact O-C 3.49Å; G176-R196 WeakPolarHBondContact O-CA 3.46Å; G176-R196 WeakPolarHBondContact O-CB 3.37Å; G176-V197 PolarHBondContact N-O 2.97Å; G176-V197 PolarHBondContact O-N 2.84Å |
| 177 | W | 80.7 | Confident | 77.7 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 13% | 0.129 | 27% | 0.271 | C | S | . | . | trans | -72 | 157.5 | 171.8 | -75.2 | 49.9 | 0 | 0 | 0 | 111 | R180 P182 L188 L192 P193 | W177-R180 WeakPolarHBondContact CB-O 3.5Å; W177-P182 HydrophobicContact CD2-CG 3.95Å; W177-P182 HydrophobicContact CE3-CG 4.27Å; W177-P182 HydrophobicContact CG-CG 4.4Å; W177-P182 HydrophobicContact CH2-CG 4.4Å; W177-P182 HydrophobicContact CZ2-CG 4.08Å; W177-P182 HydrophobicContact CZ3-CG 4.48Å; W177-L188 HydrophobicContact CH2-CB 4.37Å; W177-L188 HydrophobicContact CH2-CD1 4.02Å; W177-L188 HydrophobicContact CH2-CD2 3.82Å; W177-L188 HydrophobicContact CH2-CG 4.28Å; W177-L188 HydrophobicContact CZ2-CD1 3.72Å; W177-L188 HydrophobicContact CZ2-CD2 4.31Å; W177-L188 HydrophobicContact CZ2-CG 4.47Å; W177-L188 HydrophobicContact CZ3-CD2 4.22Å; W177-L192 HydrophobicContact CH2-CB 4.3Å; W177-L192 HydrophobicContact CH2-CD2 3.81Å; W177-L192 HydrophobicContact CZ2-CB 4.12Å; W177-L192 HydrophobicContact CZ2-CD2 3.9Å; W177-L192 HydrophobicContact CZ2-CG 4.4Å; W177-P193 HydrophobicContact CD2-CG 4.09Å; W177-P193 HydrophobicContact CE3-CG 3.62Å; W177-P193 HydrophobicContact CH2-CG 4.07Å; W177-P193 HydrophobicContact CZ2-CG 4.49Å; W177-P193 HydrophobicContact CZ3-CG 3.62Å | ||
| 178 | C | 69.4 | Low | 77.2 | Confident | 37 Ų | 37 | 52 Ų | 52 | 25% | 0.25 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -72.8 | -37.8 | -174.4 | -55 | 0 | 0 | 0 | 0 | 114.3 | V197 R213 | C178-V197 HydrophobicContact CB-CG2 4.34Å; C178-R213 VanDerWaalsContact O-CB 3.31Å; C178-R213 WeakPolarHBondContact O-CB 3.07Å; C178-R213 WeakPolarHBondContact O-CD 3.44Å |
| 179 | E | 64.3 | Low | 76.5 | Confident | 128 Ų | 128 | 57 Ų | 57 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -102.7 | -43.4 | -169.4 | -65 | 165.4 | -170.1 | 0 | 0 | 112.6 | ||
| 180 | R | 68.9 | Low | 75.8 | Confident | 136 Ų | 136 | 59 Ų | 59 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | trans | -156.6 | 136 | -180 | 173.4 | 174.9 | 171.6 | -114.3 | -18.7 | 108.2 | W177 P182 E186 | W177-R180 WeakPolarHBondContact CB-O 3.5Å; R180-P182 WeakPolarHBondContact O-CD 3.2Å; R180-E186 IonicContact CZ-OE1 3.5Å; R180-E186 IonicContact CZ-OE2 3.48Å; R180-E186 VanDerWaalsContact CZ-OE2 3.26Å; R180-E186 IonicContact NH1-OE1 3.9Å; R180-E186 PolarHBondContact NH1-OE1 2.88Å; R180-E186 IonicContact NH1-OE2 3.19Å; R180-E186 PolarHBondContact NH1-OE2 2.8Å; R180-E186 IonicContact NH2-OE1 3.79Å; R180-E186 IonicContact NH2-OE2 3.19Å; R180-E186 PolarHBondContact NH2-OE2 2.9Å | ||
| 181 | V | 62.6 | Low | 75.1 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 126 | 168.9 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | R161 | R161-V181 HydrophobicContact CG-CG1 3.81Š|
| 182 | P | 67.3 | Low | 74.3 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 149 | 176.5 | -25.2 | 37.2 | 0 | 0 | 0 | 113 | W177 R180 E186 L188 | W177-P182 HydrophobicContact CD2-CG 3.95Å; W177-P182 HydrophobicContact CE3-CG 4.27Å; W177-P182 HydrophobicContact CG-CG 4.4Å; W177-P182 HydrophobicContact CH2-CG 4.4Å; W177-P182 HydrophobicContact CZ2-CG 4.08Å; W177-P182 HydrophobicContact CZ3-CG 4.48Å; R180-P182 WeakPolarHBondContact O-CD 3.2Å; P182-E186 WeakPolarHBondContact CA-OE2 3.44Å; P182-E186 HydrophobicContact CB-CB 4.18Å; P182-L188 HydrophobicContact CB-CD1 3.67Å; P182-L188 HydrophobicContact CB-CD2 3.72Å; P182-L188 HydrophobicContact CB-CG 4.06Å; P182-L188 HydrophobicContact CG-CD1 3.51Å; P182-L188 HydrophobicContact CG-CD2 3.4Å; P182-L188 VanDerWaalsContact CG-CD2 3.4Å; P182-L188 HydrophobicContact CG-CG 4Å |
| 183 | E | 67.1 | Low | 73.4 | Confident | 120 Ų | 120 | 68.2 Ų | 68.2 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 159 | 168.8 | -62.3 | -54.4 | 149.6 | 0 | 0 | 110.7 | D185 E186 | E183-D185 PolarHBondContact O-N 2.84Å; E183-D185 VanDerWaalsContact O-N 3.16Å; E183-E186 HydrophobicContact CB-CB 4.33Å; E183-E186 PolarHBondContact N-OE2 3.41Å; E183-E186 WeakPolarHBondContact O-CB 3.35Å; E183-E186 PolarHBondContact O-N 3.15Å; E183-E186 VanDerWaalsContact O-N 3.17Å |
| 184 | A | 64.8 | Low | 72.8 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 185 | D | 71.1 | Confident | 72.4 | Confident | 157 Ų | 157 | 72.6 Ų | 72.6 | 84% | 0.84 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 4.3 | -175.7 | -50.2 | -25.7 | 0 | 0 | 0 | 113.2 | E183 V187 | E183-D185 PolarHBondContact O-N 2.84Å; E183-D185 VanDerWaalsContact O-N 3.16Å; D185-V187 PolarHBondContact O-N 3.5Å |
| 186 | E | 71.5 | Confident | 72.3 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | trans | -80.2 | 120.9 | -169.4 | -173.5 | 167.3 | -176.7 | 0 | 0 | 113.1 | R180 P182 E183 L188 | R180-E186 IonicContact CZ-OE1 3.5Å; R180-E186 IonicContact CZ-OE2 3.48Å; R180-E186 VanDerWaalsContact CZ-OE2 3.26Å; R180-E186 IonicContact NH1-OE1 3.9Å; R180-E186 PolarHBondContact NH1-OE1 2.88Å; R180-E186 IonicContact NH1-OE2 3.19Å; R180-E186 PolarHBondContact NH1-OE2 2.8Å; R180-E186 IonicContact NH2-OE1 3.79Å; R180-E186 IonicContact NH2-OE2 3.19Å; R180-E186 PolarHBondContact NH2-OE2 2.9Å; P182-E186 WeakPolarHBondContact CA-OE2 3.44Å; P182-E186 HydrophobicContact CB-CB 4.18Å; E183-E186 HydrophobicContact CB-CB 4.33Å; E183-E186 PolarHBondContact N-OE2 3.41Å; E183-E186 WeakPolarHBondContact O-CB 3.35Å; E183-E186 PolarHBondContact O-N 3.15Å; E183-E186 VanDerWaalsContact O-N 3.17Å; E186-L188 HydrophobicContact CG-CD2 4.21Å; E186-L188 HydrophobicContact CG-CG 4.42Å; E186-L188 PolarHBondContact O-N 2.84Å; E186-L188 VanDerWaalsContact O-N 3.09Å | ||
| 187 | V | 71 | Confident | 72.4 | Confident | 144 Ų | 144 | 73 Ų | 73 | 87% | 0.873 | 41% | 0.408 | S | S | * | . | trans | -76.3 | 99.1 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | D185 | D185-V187 PolarHBondContact O-N 3.5Š| ||
| 188 | L | 70 | Confident | 72.9 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 138.8 | -174.4 | -67.4 | 157.3 | 0 | 0 | 0 | 113.1 | W177 P182 E186 A190 L192 | W177-L188 HydrophobicContact CH2-CB 4.37Å; W177-L188 HydrophobicContact CH2-CD1 4.02Å; W177-L188 HydrophobicContact CH2-CD2 3.82Å; W177-L188 HydrophobicContact CH2-CG 4.28Å; W177-L188 HydrophobicContact CZ2-CD1 3.72Å; W177-L188 HydrophobicContact CZ2-CD2 4.31Å; W177-L188 HydrophobicContact CZ2-CG 4.47Å; W177-L188 HydrophobicContact CZ3-CD2 4.22Å; P182-L188 HydrophobicContact CB-CD1 3.67Å; P182-L188 HydrophobicContact CB-CD2 3.72Å; P182-L188 HydrophobicContact CB-CG 4.06Å; P182-L188 HydrophobicContact CG-CD1 3.51Å; P182-L188 HydrophobicContact CG-CD2 3.4Å; P182-L188 VanDerWaalsContact CG-CD2 3.4Å; P182-L188 HydrophobicContact CG-CG 4Å; E186-L188 HydrophobicContact CG-CD2 4.21Å; E186-L188 HydrophobicContact CG-CG 4.42Å; E186-L188 PolarHBondContact O-N 2.84Å; E186-L188 VanDerWaalsContact O-N 3.09Å; L188-A190 PolarHBondContact O-N 3.26Å; L188-L192 HydrophobicContact CB-CD2 3.68Å; L188-L192 HydrophobicContact CD1-CD2 4.36Å |
| 189 | P | 68.3 | Low | 73.9 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 69% | 0.688 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 132.1 | 173 | 28.7 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 190 | A | 67.6 | Low | 75.1 | Confident | 92 Ų | 92 | 64.7 Ų | 64.7 | 76% | 0.76 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -83.3 | 147 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L188 | L188-A190 PolarHBondContact O-N 3.26Š|
| 191 | P | 66.4 | Low | 76.2 | Confident | 125 Ų | 125 | 59.6 Ų | 59.6 | 81% | 0.812 | 35% | 0.352 | S | S | * | . | S | Bend | cis | -79.1 | 141.8 | 0.6 | 32.4 | -34.8 | 0 | 0 | 0 | 113 | ||
| 192 | L | 71.5 | Confident | 77.6 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 40% | 0.398 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 153.8 | 173.2 | -49.9 | -178.3 | 0 | 0 | 0 | 110.3 | W177 L188 | W177-L192 HydrophobicContact CH2-CB 4.3Å; W177-L192 HydrophobicContact CH2-CD2 3.81Å; W177-L192 HydrophobicContact CZ2-CB 4.12Å; W177-L192 HydrophobicContact CZ2-CD2 3.9Å; W177-L192 HydrophobicContact CZ2-CG 4.4Å; L188-L192 HydrophobicContact CB-CD2 3.68Å; L188-L192 HydrophobicContact CD1-CD2 4.36Å |
| 193 | P | 73.2 | Confident | 78.7 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 131.5 | 175.2 | -26.4 | 35.5 | 0 | 0 | 0 | 111.5 | W177 Y195 R196 | W177-P193 HydrophobicContact CD2-CG 4.09Å; W177-P193 HydrophobicContact CE3-CG 3.62Å; W177-P193 HydrophobicContact CH2-CG 4.07Å; W177-P193 HydrophobicContact CZ2-CG 4.49Å; W177-P193 HydrophobicContact CZ3-CG 3.62Å; P193-Y195 PolarHBondContact O-N 2.73Å; P193-R196 PolarHBondContact O-NH1 2.86Å |
| 194 | P | 79.6 | Confident | 79.6 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -74.6 | 8.8 | -177.7 | 30.4 | -35.6 | 0 | 0 | 0 | 113.5 | L95 | L95-P194 PolarHBondContact N-O 2.83Š|
| 195 | Y | 86.2 | Confident | 80.6 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.5 | 178.5 | -57.8 | -77.7 | 0 | 0 | 0 | 111.5 | L93 Q94 P193 | L93-Y195 CarbonylContact O-C 3.58Å; L93-Y195 WeakPolarHBondContact O-CA 3.49Å; Q94-Y195 HydrophobicContact CB-CD1 4.02Å; Q94-Y195 HydrophobicContact CB-CE1 3.94Å; Q94-Y195 HydrophobicContact CG-CD1 3.9Å; Q94-Y195 HydrophobicContact CG-CE1 3.68Å; P193-Y195 PolarHBondContact O-N 2.73Å |
| 196 | R | 89.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.7 | 156.7 | -58.5 | -70.9 | 176.9 | -79.7 | -6.6 | 108.1 | R92 L93 L95 H160 Y162 L175 G176 P193 | R92-R196 CarbonylContact C-O 3.59Å; R92-R196 WeakPolarHBondContact CA-O 3.47Å; R92-R196 VanDerWaalsContact CB-O 3.26Å; R92-R196 WeakPolarHBondContact CB-O 3.39Å; L93-R196 HydrophobicContact CB-CB 4.12Å; L93-R196 PolarHBondContact N-O 3.19Å; L93-R196 PolarHBondContact O-N 2.91Å; L95-R196 HydrophobicContact CD1-CG 3.89Å; H160-R196 PolarHBondContact O-NE 2.73Å; Y162-R196 HydrophobicContact CD2-CG 3.89Å; Y162-R196 HydrophobicContact CE2-CG 4.27Å; L175-R196 HydrophobicContact CB-CB 4.04Å; G176-R196 CarbonylContact O-C 3.49Å; G176-R196 WeakPolarHBondContact O-CA 3.46Å; G176-R196 WeakPolarHBondContact O-CB 3.37Å; P193-R196 PolarHBondContact O-NH1 2.86Å |
| 197 | V | 89.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155.6 | -175.4 | -67 | 0 | 0 | 0 | 0 | 110.2 | R92 L175 G176 C178 T199 R213 | R92-V197 HydrophobicContact CB-CG1 4.1Å; L175-V197 CarbonylContact C-O 3.29Å; L175-V197 WeakPolarHBondContact CA-O 3.25Å; G176-V197 PolarHBondContact N-O 2.97Å; G176-V197 PolarHBondContact O-N 2.84Å; C178-V197 HydrophobicContact CB-CG2 4.34Å; V197-T199 PolarHBondContact O-N 2.92Å; V197-R213 VanDerWaalsContact CG2-NE 3.34Å |
| 198 | L | 90.8 | Very high | 82.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 122.8 | 173.4 | -165.5 | 68.1 | 0 | 0 | 0 | 110 | P88 I91 W173 L175 G200 L201 F211 R213 | P88-L198 WeakPolarHBondContact O-CD2 3.41Å; I91-L198 HydrophobicContact CB-CB 4.29Å; I91-L198 HydrophobicContact CD1-CD2 4.47Å; I91-L198 PolarHBondContact O-N 3Å; W173-L198 HydrophobicContact CB-CD1 3.8Å; L175-L198 HydrophobicContact CD2-CB 4.38Å; L175-L198 HydrophobicContact CD2-CD1 4.22Å; L198-G200 WeakPolarHBondContact CD1-O 3.34Å; L198-L201 HydrophobicContact CD1-CD2 4.38Å; L198-L201 HydrophobicContact CD2-CD2 4.41Å; L198-F211 HydrophobicContact CD2-CD2 4.11Å; L198-F211 HydrophobicContact CD2-CE2 3.48Å; L198-F211 VanDerWaalsContact CD2-CE2 3.48Å; L198-F211 HydrophobicContact CD2-CZ 4.04Å; L198-F211 HydrophobicContact CG-CD2 4Å; L198-F211 HydrophobicContact CG-CE2 3.83Å; L198-R213 PolarHBondContact O-NE 2.89Å; L198-R213 PolarHBondContact O-NH2 3.43Å |
| 199 | T | 90.3 | Very high | 83.9 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -20.2 | 179.5 | 53.8 | 0 | 0 | 0 | 0 | 112 | L174 V197 F211 | L174-T199 PolarHBondContact O-N 2.9Å; L174-T199 PolarHBondContact O-OG1 2.87Å; V197-T199 PolarHBondContact O-N 2.92Å; T199-F211 PolarHBondContact O-N 3.35Å |
| 200 | G | 90.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L174 L198 Q209 | L174-G200 PolarHBondContact N-O 2.82Å; L198-G200 WeakPolarHBondContact CD1-O 3.34Å; G200-Q209 CarbonylContact C-O 3.4Å; G200-Q209 WeakPolarHBondContact CA-O 3.15Å |
| 201 | L | 92.5 | Very high | 86.2 | Confident | 29 Ų | 29 | 36.4 Ų | 36.4 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.2 | 167.8 | -50.2 | 173.4 | 0 | 0 | 0 | 108.8 | L59 W172 W173 L198 T208 Q209 | L59-L201 HydrophobicContact CD1-CB 4.23Å; L59-L201 HydrophobicContact CD2-CB 4.33Å; L59-L201 HydrophobicContact CD2-CD1 4.42Å; W172-L201 CarbonylContact O-C 3.51Å; W172-L201 WeakPolarHBondContact O-CA 3.41Å; W173-L201 HydrophobicContact CB-CD2 4.42Å; W173-L201 VanDerWaalsContact CD1-CD2 3.44Å; W173-L201 HydrophobicContact CG-CD2 4.14Å; L198-L201 HydrophobicContact CD1-CD2 4.38Å; L198-L201 HydrophobicContact CD2-CD2 4.41Å; L201-T208 CarbonylContact O-C 3.53Å; L201-T208 VanDerWaalsContact O-CA 3.32Å; L201-T208 WeakPolarHBondContact O-CA 3.14Å; L201-Q209 HydrophobicContact CB-CB 4.1Å; L201-Q209 HydrophobicContact CD1-CB 4.4Å; L201-Q209 HydrophobicContact CG-CB 4.34Å; L201-Q209 PolarHBondContact N-O 2.93Å; L201-Q209 PolarHBondContact O-N 2.95Å |
| 202 | V | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 127.7 | 170.6 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | L151 L155 P171 W172 L174 R207 T208 | L151-V202 HydrophobicContact CD2-CB 4.07Å; L151-V202 HydrophobicContact CD2-CG1 4.27Å; L151-V202 HydrophobicContact CD2-CG2 4.08Å; L155-V202 HydrophobicContact CD1-CG2 4.15Å; P171-V202 CarbonylContact C-O 3.52Å; P171-V202 VanDerWaalsContact CA-O 3.29Å; P171-V202 WeakPolarHBondContact CA-O 3.45Å; P171-V202 VanDerWaalsContact CB-O 3.29Å; P171-V202 WeakPolarHBondContact CB-O 3.22Å; W172-V202 HydrophobicContact CB-CB 4.41Å; W172-V202 PolarHBondContact N-O 2.84Å; W172-V202 PolarHBondContact O-N 3Å; L174-V202 HydrophobicContact CD1-CG2 3.67Å; L174-V202 HydrophobicContact CD2-CG2 4.09Å; L174-V202 HydrophobicContact CG-CG2 3.98Å; V202-R207 WeakPolarHBondContact CA-O 3.35Å; V202-T208 HydrophobicContact CG1-CG2 4.27Å; V202-T208 HydrophobicContact CG2-CG2 4.17Å |
| 203 | D | 88.8 | Confident | 88.2 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | -90.2 | 170.9 | 174.3 | 71 | 16.6 | 0 | 0 | 0 | 112 | L59 F205 G206 R207 | L59-D203 HydrophobicContact CD1-CB 3.98Å; L59-D203 HydrophobicContact CD2-CB 4.2Å; L59-D203 HydrophobicContact CG-CB 4.12Å; D203-F205 PolarHBondContact O-N 2.88Å; D203-F205 WeakPolarHBondContact OD1-CA 3.13Å; D203-F205 WeakPolarHBondContact OD1-CB 3.21Å; D203-F205 PolarHBondContact OD1-N 3.35Å; D203-G206 PolarHBondContact O-N 3.29Å; D203-G206 PolarHBondContact OD1-N 2.89Å; D203-R207 PolarHBondContact N-O 3.32Å; D203-R207 VanDerWaalsContact N-O 3.11Å; D203-R207 WeakPolarHBondContact OD1-CB 3.43Å; D203-R207 PolarHBondContact OD1-N 2.95Å; D203-R207 IonicContact OD1-NE 3.23Å; D203-R207 IonicContact OD2-CZ 2.81Å; D203-R207 IonicContact OD2-NE 3.16Å; D203-R207 PolarHBondContact OD2-NE 2.81Å; D203-R207 IonicContact OD2-NH2 3.4Å; D203-R207 PolarHBondContact OD2-NH2 2.83Å | ||
| 204 | R | 87 | Confident | 88.9 | Confident | 61 Ų | 61 | 34.4 Ų | 34.4 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.8 | 178.1 | 69.2 | -166.1 | -175.5 | 174.3 | 7 | 114.8 | L147 S481 G482 | L147-R204 HydrophobicContact CD1-CB 3.74Å; R204-S481 WeakPolarHBondContact CD-O 3.38Å; R204-S481 PolarHBondContact NE-O 3.17Å; R204-S481 PolarHBondContact NH1-O 2.62Å; R204-G482 VanDerWaalsContact CZ-O 3.27Å; R204-G482 PolarHBondContact NH1-O 3.3Å; R204-G482 PolarHBondContact NH2-O 2.98Å |
| 205 | F | 85.5 | Confident | 88.9 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.1 | 177 | -54.1 | -72.7 | 0 | 0 | 0 | 112.3 | D203 R207 R483 P502 H503 D505 | D203-F205 PolarHBondContact O-N 2.88Å; D203-F205 WeakPolarHBondContact OD1-CA 3.13Å; D203-F205 WeakPolarHBondContact OD1-CB 3.21Å; D203-F205 PolarHBondContact OD1-N 3.35Å; F205-R207 VanDerWaalsContact C-N 3.33Å; F205-R207 HydrophobicContact CB-CG 4.41Å; F205-R483 HydrophobicContact CE1-CG 4.03Å; F205-R483 HydrophobicContact CZ-CG 3.86Å; F205-P502 WeakPolarHBondContact CD1-O 3.39Å; F205-H503 HydrophobicContact CB-CB 4.5Å; F205-H503 PolarHBondContact O-ND1 2.96Å; F205-D505 HydrophobicContact CD2-CB 4.12Å; F205-D505 HydrophobicContact CE2-CB 3.48Å; F205-D505 VanDerWaalsContact CE2-CB 3.48Å; F205-D505 HydrophobicContact CZ-CB 3.74Å |
| 206 | G | 83 | Confident | 88.7 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | trans | 80.2 | 8.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D203 | D203-G206 PolarHBondContact O-N 3.29Å; D203-G206 PolarHBondContact OD1-N 2.89Å | ||
| 207 | R | 86.6 | Confident | 88.5 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 18% | 0.181 | 22% | 0.219 | C | C | . | . | trans | -76 | 141.9 | 176.9 | -57.4 | 175.2 | -64 | -168.3 | 12.5 | 108.6 | L59 V202 D203 F205 D505 | L59-R207 WeakPolarHBondContact CD1-O 3.46Å; V202-R207 WeakPolarHBondContact CA-O 3.35Å; D203-R207 PolarHBondContact N-O 3.32Å; D203-R207 VanDerWaalsContact N-O 3.11Å; D203-R207 WeakPolarHBondContact OD1-CB 3.43Å; D203-R207 PolarHBondContact OD1-N 2.95Å; D203-R207 IonicContact OD1-NE 3.23Å; D203-R207 IonicContact OD2-CZ 2.81Å; D203-R207 IonicContact OD2-NE 3.16Å; D203-R207 PolarHBondContact OD2-NE 2.81Å; D203-R207 IonicContact OD2-NH2 3.4Å; D203-R207 PolarHBondContact OD2-NH2 2.83Å; F205-R207 VanDerWaalsContact C-N 3.33Å; F205-R207 HydrophobicContact CB-CG 4.41Å; R207-D505 IonicContact CZ-OD1 2.68Å; R207-D505 IonicContact CZ-OD2 3.77Å; R207-D505 IonicContact NH1-OD1 3.25Å; R207-D505 PolarHBondContact NH1-OD1 2.87Å; R207-D505 IonicContact NH1-OD2 2.78Å; R207-D505 PolarHBondContact NH1-OD2 3.42Å; R207-D505 VanDerWaalsContact NH2-CG 3.32Å; R207-D505 IonicContact NH2-OD1 3.92Å; R207-D505 IonicContact NH2-OD2 2.81Å; R207-D505 PolarHBondContact NH2-OD2 3.06Å | ||
| 208 | T | 90.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.7 | -169.8 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | L201 V202 | L201-T208 CarbonylContact O-C 3.53Å; L201-T208 VanDerWaalsContact O-CA 3.32Å; L201-T208 WeakPolarHBondContact O-CA 3.14Å; V202-T208 HydrophobicContact CG1-CG2 4.27Å; V202-T208 HydrophobicContact CG2-CG2 4.17Å |
| 209 | Q | 93.3 | Very high | 88.3 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.2 | 159.6 | 178.7 | 177.1 | 108.1 | 0 | 0 | 108.4 | L59 P60 G200 L201 V226 T227 | L59-Q209 HydrophobicContact CB-CB 4.2Å; L59-Q209 PolarHBondContact O-NE2 3.35Å; P60-Q209 PolarHBondContact O-NE2 2.87Å; G200-Q209 CarbonylContact C-O 3.4Å; G200-Q209 WeakPolarHBondContact CA-O 3.15Å; L201-Q209 HydrophobicContact CB-CB 4.1Å; L201-Q209 HydrophobicContact CD1-CB 4.4Å; L201-Q209 HydrophobicContact CG-CB 4.34Å; L201-Q209 PolarHBondContact N-O 2.93Å; L201-Q209 PolarHBondContact O-N 2.95Å; Q209-V226 HydrophobicContact CG-CG1 4.03Å; Q209-T227 CarbonylContact C-O 3.6Å; Q209-T227 VanDerWaalsContact CA-O 3.28Å; Q209-T227 WeakPolarHBondContact CA-O 3.5Å; Q209-T227 WeakPolarHBondContact CG-O 3.5Å |
| 210 | T | 92.9 | Very high | 88 | Confident | 49 Ų | 49 | 45.3 Ų | 45.3 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.9 | -176.2 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | V226 T227 | T210-V226 CarbonylContact O-C 3.57Å; T210-V226 VanDerWaalsContact O-CA 3.28Å; T210-V226 WeakPolarHBondContact O-CA 3.34Å; T210-V226 WeakPolarHBondContact O-CG1 3.41Å; T210-T227 PolarHBondContact N-O 2.98Å; T210-T227 PolarHBondContact O-N 2.9Å |
| 211 | F | 91.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.2 | 174.1 | -62.8 | -82.5 | 0 | 0 | 0 | 109.8 | F61 A89 L198 T199 I223 V226 | F61-F211 HydrophobicContact CE2-CE1 4.33Å; A89-F211 HydrophobicContact CB-CD1 3.71Å; A89-F211 HydrophobicContact CB-CE1 3.48Å; A89-F211 VanDerWaalsContact CB-CE1 3.48Å; A89-F211 HydrophobicContact CB-CG 4.49Å; A89-F211 HydrophobicContact CB-CZ 4.07Å; L198-F211 HydrophobicContact CD2-CD2 4.11Å; L198-F211 HydrophobicContact CD2-CE2 3.48Å; L198-F211 VanDerWaalsContact CD2-CE2 3.48Å; L198-F211 HydrophobicContact CD2-CZ 4.04Å; L198-F211 HydrophobicContact CG-CD2 4Å; L198-F211 HydrophobicContact CG-CE2 3.83Å; T199-F211 PolarHBondContact O-N 3.35Å; F211-I223 HydrophobicContact CB-CD1 4.3Å; F211-I223 HydrophobicContact CB-CG2 4.36Å; F211-I223 HydrophobicContact CD1-CD1 4.03Å; F211-I223 HydrophobicContact CD1-CG2 4.37Å; F211-I223 HydrophobicContact CG-CD1 4.4Å; F211-V226 HydrophobicContact CD1-CG1 4.2Å; F211-V226 HydrophobicContact CD1-CG2 3.57Å; F211-V226 HydrophobicContact CE1-CG1 4.18Å; F211-V226 HydrophobicContact CE1-CG2 3.93Å |
| 212 | H | 91.5 | Very high | 87.4 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.8 | 178.9 | -56.9 | -73.4 | 0 | 0 | 0 | 109.9 | I223 T224 G225 T227 | H212-I223 WeakPolarHBondContact O-CA 3.27Å; H212-I223 WeakPolarHBondContact O-CG2 3.45Å; H212-T224 PolarHBondContact O-N 2.86Å; H212-G225 PolarHBondContact N-O 3.44Å; H212-G225 PolarHBondContact O-N 2.81Å; H212-T227 PolarHBondContact NE2-OG1 3.46Å |
| 213 | R | 89 | Confident | 87.4 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.1 | -179.2 | -68.2 | 176.3 | -177.2 | -85.8 | -4.7 | 111.1 | A89 C178 V197 L198 A215 G221 E222 I223 | A89-R213 PolarHBondContact O-NH2 2.8Å; C178-R213 VanDerWaalsContact O-CB 3.31Å; C178-R213 WeakPolarHBondContact O-CB 3.07Å; C178-R213 WeakPolarHBondContact O-CD 3.44Å; V197-R213 VanDerWaalsContact CG2-NE 3.34Å; L198-R213 PolarHBondContact O-NE 2.89Å; L198-R213 PolarHBondContact O-NH2 3.43Å; R213-A215 PolarHBondContact O-N 3.26Å; R213-G221 WeakPolarHBondContact CD-O 3.33Å; R213-G221 PolarHBondContact NH1-O 2.88Å; R213-E222 CarbonylContact C-O 3.57Å; R213-E222 WeakPolarHBondContact CA-O 3.27Å; R213-I223 HydrophobicContact CG-CG1 3.99Å |
| 214 | E | 87.9 | Confident | 87.6 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | trans | -69.1 | 128.4 | 178.1 | -163.4 | 67.6 | -147.6 | 0 | 0 | 110.3 | A216 F219 S220 G221 E222 T224 | E214-A216 WeakPolarHBondContact CG-O 3.35Å; E214-F219 HydrophobicContact CB-CB 4.16Å; E214-F219 WeakPolarHBondContact CB-O 3.2Å; E214-F219 HydrophobicContact CG-CB 4.21Å; E214-S220 WeakPolarHBondContact O-CA 3.36Å; E214-G221 PolarHBondContact O-N 3.15Å; E214-E222 PolarHBondContact N-O 3.5Å; E214-T224 HydrophobicContact CB-CG2 4.02Å; E214-T224 WeakPolarHBondContact OE2-CG2 3.14Å; E214-T224 PolarHBondContact OE2-OG1 3.44Å | ||
| 215 | A | 79.4 | Confident | 87.9 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 49% | 0.488 | 27% | 0.269 | S | S | . | . | trans | -81.3 | -25.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | R213 S220 | R213-A215 PolarHBondContact O-N 3.26Å; A215-S220 PolarHBondContact O-OG 2.76Å | ||
| 216 | A | 80.5 | Confident | 88.4 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 56% | 0.562 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -156.5 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E214 | E214-A216 WeakPolarHBondContact CG-O 3.35Š|
| 217 | G | 85.9 | Confident | 89 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 88.8 | -163.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F219 S220 | G217-F219 PolarHBondContact O-N 3.15Å; G217-F219 VanDerWaalsContact O-N 3.11Å; G217-S220 WeakPolarHBondContact O-CB 3.36Å; G217-S220 PolarHBondContact O-N 3.18Å |
| 218 | E | 85.8 | Confident | 89.3 | Confident | 133 Ų | 133 | 40.6 Ų | 40.6 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | -170.8 | -61.2 | -168 | 158.7 | 0 | 0 | 114.4 | T240 Q243 I278 | E218-T240 HydrophobicContact CB-CG2 4.03Å; E218-Q243 PolarHBondContact OE2-NE2 3.11Å; E218-I278 WeakPolarHBondContact O-CD1 3.27Å |
| 219 | F | 89.6 | Confident | 89.4 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 11.3 | -179 | -55.9 | -57.1 | 0 | 0 | 0 | 114.1 | E214 G217 G221 E222 L238 T240 I278 | E214-F219 HydrophobicContact CB-CB 4.16Å; E214-F219 WeakPolarHBondContact CB-O 3.2Å; E214-F219 HydrophobicContact CG-CB 4.21Å; G217-F219 PolarHBondContact O-N 3.15Å; G217-F219 VanDerWaalsContact O-N 3.11Å; F219-G221 PolarHBondContact O-N 2.72Å; F219-E222 VanDerWaalsContact O-CB 3.3Å; F219-E222 WeakPolarHBondContact O-CB 3.27Å; F219-E222 PolarHBondContact O-N 3.27Å; F219-L238 HydrophobicContact CB-CD1 4.24Å; F219-L238 HydrophobicContact CD1-CB 3.83Å; F219-L238 HydrophobicContact CD1-CD1 4.2Å; F219-L238 HydrophobicContact CE1-CB 3.73Å; F219-L238 HydrophobicContact CG-CB 4.33Å; F219-L238 HydrophobicContact CG-CD1 4.29Å; F219-L238 HydrophobicContact CZ-CB 4.15Å; F219-L238 WeakPolarHBondContact CZ-O 3.38Å; F219-T240 HydrophobicContact CD1-CG2 4.24Å; F219-T240 HydrophobicContact CE1-CG2 3.56Å; F219-T240 HydrophobicContact CZ-CG2 4.1Å; F219-I278 HydrophobicContact CD1-CD1 4.26Å; F219-I278 HydrophobicContact CD1-CG1 4.45Å; F219-I278 HydrophobicContact CD1-CG2 3.78Å; F219-I278 HydrophobicContact CE1-CG2 4.09Å |
| 220 | S | 85.5 | Confident | 89.2 | Confident | 51 Ų | 51 | 38 Ų | 38 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 122 | -175 | -160 | 0 | 0 | 0 | 0 | 113.2 | E214 A215 G217 | E214-S220 WeakPolarHBondContact O-CA 3.36Å; A215-S220 PolarHBondContact O-OG 2.76Å; G217-S220 WeakPolarHBondContact O-CB 3.36Å; G217-S220 PolarHBondContact O-N 3.18Å |
| 221 | G | 81.7 | Confident | 89.2 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -11 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R213 E214 F219 | R213-G221 WeakPolarHBondContact CD-O 3.33Å; R213-G221 PolarHBondContact NH1-O 2.88Å; E214-G221 PolarHBondContact O-N 3.15Å; F219-G221 PolarHBondContact O-N 2.72Å |
| 222 | E | 88.5 | Confident | 89.4 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -81.7 | 157.7 | 174.4 | -62.5 | -76 | 139.7 | 0 | 0 | 111.7 | S80 R213 E214 F219 L238 N276 I278 | S80-E222 PolarHBondContact OG-OE2 2.76Å; R213-E222 CarbonylContact C-O 3.57Å; R213-E222 WeakPolarHBondContact CA-O 3.27Å; E214-E222 PolarHBondContact N-O 3.5Å; F219-E222 VanDerWaalsContact O-CB 3.3Å; F219-E222 WeakPolarHBondContact O-CB 3.27Å; F219-E222 PolarHBondContact O-N 3.27Å; E222-L238 HydrophobicContact CB-CD1 3.41Å; E222-L238 VanDerWaalsContact CB-CD1 3.41Å; E222-L238 HydrophobicContact CG-CD1 4.28Å; E222-N276 PolarHBondContact OE1-ND2 3.07Å; E222-I278 HydrophobicContact CG-CB 4.36Å; E222-I278 HydrophobicContact CG-CD1 3.72Å; E222-I278 HydrophobicContact CG-CG2 4.04Å |
| 223 | I | 90.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.1 | -177 | -53.3 | 174.4 | 0 | 0 | 0 | 109.9 | A89 F211 H212 R213 G225 V226 L236 | A89-I223 HydrophobicContact CB-CD1 3.28Å; F211-I223 HydrophobicContact CB-CD1 4.3Å; F211-I223 HydrophobicContact CB-CG2 4.36Å; F211-I223 HydrophobicContact CD1-CD1 4.03Å; F211-I223 HydrophobicContact CD1-CG2 4.37Å; F211-I223 HydrophobicContact CG-CD1 4.4Å; H212-I223 WeakPolarHBondContact O-CA 3.27Å; H212-I223 WeakPolarHBondContact O-CG2 3.45Å; R213-I223 HydrophobicContact CG-CG1 3.99Å; I223-G225 VanDerWaalsContact CG2-O 3.31Å; I223-G225 WeakPolarHBondContact CG2-O 2.94Å; I223-V226 HydrophobicContact CG2-CG2 4.21Å; I223-L236 HydrophobicContact CB-CD2 4.36Å; I223-L236 HydrophobicContact CG2-CD2 4.01Å; I223-L236 WeakPolarHBondContact O-CB 3.36Å |
| 224 | T | 93.6 | Very high | 90 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -10 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | H212 E214 L236 L238 | H212-T224 PolarHBondContact O-N 2.86Å; E214-T224 HydrophobicContact CB-CG2 4.02Å; E214-T224 WeakPolarHBondContact OE2-CG2 3.14Å; E214-T224 PolarHBondContact OE2-OG1 3.44Å; T224-L236 PolarHBondContact O-N 2.7Å; T224-L238 HydrophobicContact CG2-CD1 3.89Å |
| 225 | G | 94.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 169.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H212 I223 F234 | H212-G225 PolarHBondContact N-O 3.44Å; H212-G225 PolarHBondContact O-N 2.81Å; I223-G225 VanDerWaalsContact CG2-O 3.31Å; I223-G225 WeakPolarHBondContact CG2-O 2.94Å; G225-F234 CarbonylContact C-O 3.45Å; G225-F234 WeakPolarHBondContact CA-O 3.37Å |
| 226 | V | 94.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.6 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | F61 Q209 T210 F211 I223 H233 F234 L236 | F61-V226 HydrophobicContact CB-CG1 4.19Å; F61-V226 HydrophobicContact CD1-CB 4.48Å; F61-V226 HydrophobicContact CD2-CB 4.13Å; F61-V226 HydrophobicContact CD2-CG1 3.75Å; F61-V226 HydrophobicContact CD2-CG2 4.06Å; F61-V226 HydrophobicContact CE1-CG2 4.47Å; F61-V226 HydrophobicContact CE2-CB 4.3Å; F61-V226 HydrophobicContact CE2-CG1 4.31Å; F61-V226 HydrophobicContact CE2-CG2 3.75Å; F61-V226 HydrophobicContact CG-CB 4.22Å; F61-V226 HydrophobicContact CG-CG1 3.95Å; F61-V226 HydrophobicContact CZ-CG2 3.95Å; Q209-V226 HydrophobicContact CG-CG1 4.03Å; T210-V226 CarbonylContact O-C 3.57Å; T210-V226 VanDerWaalsContact O-CA 3.28Å; T210-V226 WeakPolarHBondContact O-CA 3.34Å; T210-V226 WeakPolarHBondContact O-CG1 3.41Å; F211-V226 HydrophobicContact CD1-CG1 4.2Å; F211-V226 HydrophobicContact CD1-CG2 3.57Å; F211-V226 HydrophobicContact CE1-CG1 4.18Å; F211-V226 HydrophobicContact CE1-CG2 3.93Å; I223-V226 HydrophobicContact CG2-CG2 4.21Å; V226-H233 CarbonylContact O-C 3.59Å; V226-H233 WeakPolarHBondContact O-CA 3.29Å; V226-F234 HydrophobicContact CB-CB 4.43Å; V226-F234 PolarHBondContact N-O 3.3Å; V226-F234 PolarHBondContact O-N 2.92Å; V226-L236 HydrophobicContact CG2-CD1 3.96Å |
| 227 | T | 96.3 | Very high | 92 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 13% | 0.129 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.1 | 162.6 | -61.8 | 0 | 0 | 0 | 0 | 108 | Q209 T210 H212 R232 H233 | Q209-T227 CarbonylContact C-O 3.6Å; Q209-T227 VanDerWaalsContact CA-O 3.28Å; Q209-T227 WeakPolarHBondContact CA-O 3.5Å; Q209-T227 WeakPolarHBondContact CG-O 3.5Å; T210-T227 PolarHBondContact N-O 2.98Å; T210-T227 PolarHBondContact O-N 2.9Å; H212-T227 PolarHBondContact NE2-OG1 3.46Å; T227-R232 VanDerWaalsContact CA-O 3.31Å; T227-R232 WeakPolarHBondContact CA-O 3.45Å; T227-H233 PolarHBondContact OG1-CD2 3Å; T227-H233 PolarHBondContact OG1-NE2 3.38Å; T227-H233 VanDerWaalsContact OG1-NE2 3.13Å |
| 228 | D | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -85 | 170.9 | 175.9 | 72.5 | 11.8 | 0 | 0 | 0 | 113.1 | F61 A230 G231 R232 F234 | F61-D228 HydrophobicContact CB-CB 4.09Å; D228-A230 PolarHBondContact O-N 2.85Å; D228-A230 VanDerWaalsContact O-N 3.08Å; D228-A230 WeakPolarHBondContact OD1-CB 3.43Å; D228-A230 PolarHBondContact OD1-N 3.13Å; D228-A230 VanDerWaalsContact OD1-N 3.12Å; D228-G231 PolarHBondContact O-N 2.93Å; D228-G231 PolarHBondContact OD1-N 3.41Å; D228-R232 PolarHBondContact N-O 3.23Å; D228-R232 VanDerWaalsContact N-O 3.08Å; D228-R232 PolarHBondContact OD1-N 2.78Å; D228-R232 IonicContact OD2-CZ 2.66Å; D228-R232 IonicContact OD2-NE 3.11Å; D228-R232 PolarHBondContact OD2-NE 3Å; D228-R232 IonicContact OD2-NH2 3.25Å; D228-R232 PolarHBondContact OD2-NH2 2.98Å; D228-F234 HydrophobicContact CB-CE2 4.1Å | ||
| 229 | G | 90.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P58 L59 | P58-G229 CarbonylContact O-C 3.59Å; P58-G229 WeakPolarHBondContact O-CA 3.45Å; P58-G229 PolarHBondContact O-N 3.18Å; L59-G229 PolarHBondContact O-N 2.94Å; L59-G229 VanDerWaalsContact O-N 3.15Å |
| 230 | A | 90.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -14.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | P58 D228 R524 Y525 | P58-A230 HydrophobicContact CG-CB 4.39Å; D228-A230 PolarHBondContact O-N 2.85Å; D228-A230 VanDerWaalsContact O-N 3.08Å; D228-A230 WeakPolarHBondContact OD1-CB 3.43Å; D228-A230 PolarHBondContact OD1-N 3.13Å; D228-A230 VanDerWaalsContact OD1-N 3.12Å; A230-R524 HydrophobicContact CB-CG 4.11Å; A230-R524 WeakPolarHBondContact O-CD 3.33Å; A230-R524 PolarHBondContact O-NH1 3.16Å; A230-Y525 HydrophobicContact CB-CD1 3.48Å; A230-Y525 VanDerWaalsContact CB-CD1 3.48Å; A230-Y525 HydrophobicContact CB-CE1 3.47Å; A230-Y525 VanDerWaalsContact CB-CE1 3.47Å |
| 231 | G | 92.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 23 Ų | 23 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | trans | 98.7 | 9.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D228 H233 P289 | D228-G231 PolarHBondContact O-N 2.93Å; D228-G231 PolarHBondContact OD1-N 3.41Å; G231-H233 PolarHBondContact O-CD2 3.33Å; G231-P289 WeakPolarHBondContact O-CG 3.36Å | ||
| 232 | R | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | trans | -74.3 | 137 | 173.9 | -66.3 | -177.6 | -63.2 | -137.7 | -5 | 110.4 | L55 P56 T227 D228 F234 L285 H287 D288 Y525 | L55-R232 PolarHBondContact O-NH2 3.49Å; P56-R232 PolarHBondContact O-NH1 2.97Å; P56-R232 PolarHBondContact O-NH2 3Å; T227-R232 VanDerWaalsContact CA-O 3.31Å; T227-R232 WeakPolarHBondContact CA-O 3.45Å; D228-R232 PolarHBondContact N-O 3.23Å; D228-R232 VanDerWaalsContact N-O 3.08Å; D228-R232 PolarHBondContact OD1-N 2.78Å; D228-R232 IonicContact OD2-CZ 2.66Å; D228-R232 IonicContact OD2-NE 3.11Å; D228-R232 PolarHBondContact OD2-NE 3Å; D228-R232 IonicContact OD2-NH2 3.25Å; D228-R232 PolarHBondContact OD2-NH2 2.98Å; R232-F234 HydrophobicContact CB-CE2 3.77Å; R232-F234 HydrophobicContact CB-CZ 4.03Å; R232-L285 HydrophobicContact CB-CD1 3.9Å; R232-L285 HydrophobicContact CG-CD1 4.38Å; R232-H287 CarbonylContact C-O 3.56Å; R232-H287 WeakPolarHBondContact CA-O 3.3Å; R232-D288 VanDerWaalsContact CD-OD2 3.29Å; R232-D288 WeakPolarHBondContact CD-OD2 3.48Å; R232-Y525 HydrophobicContact CG-CE1 3.8Å; R232-Y525 WeakPolarHBondContact CG-OH 3.37Å | ||
| 233 | H | 96.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 26.6 Ų | 26.6 | 37% | 0.37 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.3 | 178.5 | -62.4 | -169.4 | 0 | 0 | 0 | 111.2 | V226 T227 G231 T286 H287 | V226-H233 CarbonylContact O-C 3.59Å; V226-H233 WeakPolarHBondContact O-CA 3.29Å; T227-H233 PolarHBondContact OG1-CD2 3Å; T227-H233 PolarHBondContact OG1-NE2 3.38Å; T227-H233 VanDerWaalsContact OG1-NE2 3.13Å; G231-H233 PolarHBondContact O-CD2 3.33Å; H233-T286 PolarHBondContact O-N 3.15Å; H233-T286 PolarHBondContact O-OG1 3.16Å; H233-H287 HydrophobicContact CB-CB 3.8Å; H233-H287 PolarHBondContact N-O 3.15Å; H233-H287 PolarHBondContact O-N 2.83Å |
| 234 | F | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.7 | 175.2 | -55.5 | -93.2 | 0 | 0 | 0 | 109.9 | L55 F61 G225 V226 D228 R232 L236 V283 W284 L285 L300 | L55-F234 HydrophobicContact CD1-CE1 3.88Å; L55-F234 HydrophobicContact CD1-CZ 4.06Å; F61-F234 HydrophobicContact CB-CD2 3.9Å; F61-F234 HydrophobicContact CB-CE2 3.68Å; F61-F234 HydrophobicContact CB-CZ 4.19Å; F61-F234 HydrophobicContact CD1-CB 3.99Å; F61-F234 AromaticContact CD1-CD1 3.81Å; F61-F234 HydrophobicContact CD1-CD1 3.81Å; F61-F234 AromaticContact CD1-CD2 3.65Å; F61-F234 HydrophobicContact CD1-CD2 3.65Å; F61-F234 HydrophobicContact CD1-CE1 4.17Å; F61-F234 HydrophobicContact CD1-CE2 4.06Å; F61-F234 AromaticContact CD1-CG 3.53Å; F61-F234 HydrophobicContact CD1-CG 3.53Å; F61-F234 HydrophobicContact CD1-CZ 4.29Å; F61-F234 HydrophobicContact CE1-CB 4.09Å; F61-F234 HydrophobicContact CE1-CD1 4.35Å; F61-F234 HydrophobicContact CE1-CG 4.09Å; F61-F234 HydrophobicContact CG-CD2 4.1Å; F61-F234 HydrophobicContact CG-CE2 4.32Å; F61-F234 HydrophobicContact CG-CG 4.41Å; G225-F234 CarbonylContact C-O 3.45Å; G225-F234 WeakPolarHBondContact CA-O 3.37Å; V226-F234 HydrophobicContact CB-CB 4.43Å; V226-F234 PolarHBondContact N-O 3.3Å; V226-F234 PolarHBondContact O-N 2.92Å; D228-F234 HydrophobicContact CB-CE2 4.1Å; R232-F234 HydrophobicContact CB-CE2 3.77Å; R232-F234 HydrophobicContact CB-CZ 4.03Å; F234-L236 HydrophobicContact CB-CD1 4.5Å; F234-V283 HydrophobicContact CB-CG1 4.33Å; F234-V283 HydrophobicContact CD1-CG1 4.47Å; F234-W284 CarbonylContact C-O 3.48Å; F234-W284 WeakPolarHBondContact CA-O 3.33Å; F234-L285 HydrophobicContact CD1-CD1 4.18Å; F234-L285 HydrophobicContact CE1-CD1 3.91Å; F234-L285 HydrophobicContact CZ-CD1 4.16Å; F234-L300 HydrophobicContact CD1-CD1 4.13Å; F234-L300 HydrophobicContact CE1-CD1 3.93Å |
| 235 | R | 97 | Very high | 94 | Very high | 154 Ų | 154 | 25.3 Ų | 25.3 | 58% | 0.581 | 14% | 0.138 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.6 | 172.1 | -179.1 | -178.5 | -179.6 | -173.3 | 0.9 | 109.8 | V283 W284 T286 | R235-V283 WeakPolarHBondContact O-CA 3.45Å; R235-W284 HydrophobicContact CB-CB 4.45Å; R235-W284 PolarHBondContact N-O 3Å; R235-W284 PolarHBondContact O-N 2.87Å; R235-T286 HydrophobicContact CB-CG2 3.61Å |
| 236 | L | 95.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.2 | 175.3 | -80.6 | 69.5 | 0 | 0 | 0 | 108.1 | F61 I223 T224 V226 F234 L280 V283 | F61-L236 HydrophobicContact CE1-CD1 4.37Å; F61-L236 HydrophobicContact CZ-CD1 4.21Å; I223-L236 HydrophobicContact CB-CD2 4.36Å; I223-L236 HydrophobicContact CG2-CD2 4.01Å; I223-L236 WeakPolarHBondContact O-CB 3.36Å; T224-L236 PolarHBondContact O-N 2.7Å; V226-L236 HydrophobicContact CG2-CD1 3.96Å; F234-L236 HydrophobicContact CB-CD1 4.5Å; L236-L280 HydrophobicContact CB-CD1 3.73Å; L236-L280 HydrophobicContact CD2-CD1 4.17Å; L236-L280 HydrophobicContact CG-CD1 3.9Å; L236-V283 HydrophobicContact CD1-CG1 4.42Å; L236-V283 HydrophobicContact CG-CG2 4.34Å |
| 237 | V | 96.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 113.7 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | S281 A282 | V237-S281 PolarHBondContact O-N 2.89Å; V237-A282 HydrophobicContact CB-CB 4.26Å; V237-A282 HydrophobicContact CG2-CB 4.45Å; V237-A282 PolarHBondContact N-O 2.78Å |
| 238 | L | 95.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 153.7 | 178.7 | -55.5 | -179.9 | 0 | 0 | 0 | 111.4 | F219 E222 T224 I278 R279 L280 | F219-L238 HydrophobicContact CB-CD1 4.24Å; F219-L238 HydrophobicContact CD1-CB 3.83Å; F219-L238 HydrophobicContact CD1-CD1 4.2Å; F219-L238 HydrophobicContact CE1-CB 3.73Å; F219-L238 HydrophobicContact CG-CB 4.33Å; F219-L238 HydrophobicContact CG-CD1 4.29Å; F219-L238 HydrophobicContact CZ-CB 4.15Å; F219-L238 WeakPolarHBondContact CZ-O 3.38Å; E222-L238 HydrophobicContact CB-CD1 3.41Å; E222-L238 VanDerWaalsContact CB-CD1 3.41Å; E222-L238 HydrophobicContact CG-CD1 4.28Å; T224-L238 HydrophobicContact CG2-CD1 3.89Å; L238-I278 HydrophobicContact CB-CG2 4.04Å; L238-I278 HydrophobicContact CD1-CG2 4.14Å; L238-R279 CarbonylContact C-O 3.25Å; L238-R279 VanDerWaalsContact CA-O 3.29Å; L238-R279 WeakPolarHBondContact CA-O 3.04Å; L238-L280 HydrophobicContact CD2-CB 4.34Å; L238-L280 HydrophobicContact CD2-CD1 4.15Å |
| 239 | T | 95 | Very high | 92.4 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.6 | 169.9 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | R244 I278 R279 S281 | T239-R244 PolarHBondContact O-NH1 2.8Å; T239-R244 PolarHBondContact OG1-NH1 3.01Å; T239-I278 WeakPolarHBondContact O-CA 3.39Å; T239-R279 PolarHBondContact N-O 2.65Å; T239-R279 PolarHBondContact O-N 2.81Å; T239-S281 VanDerWaalsContact CG2-OG 3.25Å; T239-S281 WeakPolarHBondContact CG2-OG 3.09Å; T239-S281 PolarHBondContact OG1-OG 3.35Å |
| 240 | T | 94.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | trans | -83.4 | 164.3 | 169.2 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | E218 F219 A242 Q243 R244 | E218-T240 HydrophobicContact CB-CG2 4.03Å; F219-T240 HydrophobicContact CD1-CG2 4.24Å; F219-T240 HydrophobicContact CE1-CG2 3.56Å; F219-T240 HydrophobicContact CZ-CG2 4.1Å; T240-A242 VanDerWaalsContact C-N 3.35Å; T240-Q243 PolarHBondContact O-N 3.01Å; T240-Q243 WeakPolarHBondContact OG1-CB 3.41Å; T240-Q243 VanDerWaalsContact OG1-CD 3.3Å; T240-Q243 WeakPolarHBondContact OG1-CG 3.48Å; T240-Q243 PolarHBondContact OG1-N 3.02Å; T240-Q243 VanDerWaalsContact OG1-N 3.16Å; T240-R244 PolarHBondContact O-N 3.09Å; T240-R244 VanDerWaalsContact O-N 3.12Å; T240-R244 PolarHBondContact O-NH1 3.38Å | ||
| 241 | Q | 93.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.4 | -178.8 | 70.5 | 11.4 | 0 | 0 | 111.8 | Q243 R244 A245 P263 L266 G277 P307 | Q241-Q243 VanDerWaalsContact C-N 3.32Å; Q241-Q243 PolarHBondContact O-N 2.81Å; Q241-R244 PolarHBondContact O-N 2.85Å; Q241-A245 WeakPolarHBondContact O-CB 3.28Å; Q241-A245 PolarHBondContact O-N 2.82Å; Q241-P263 WeakPolarHBondContact CG-O 3.33Å; Q241-P263 PolarHBondContact NE2-O 2.85Å; Q241-L266 HydrophobicContact CB-CD1 4.2Å; Q241-L266 HydrophobicContact CB-CG 4.3Å; Q241-L266 HydrophobicContact CG-CD1 4.09Å; Q241-L266 HydrophobicContact CG-CD2 4.37Å; Q241-L266 HydrophobicContact CG-CG 3.8Å; Q241-G277 PolarHBondContact N-O 2.95Å; Q241-G277 VanDerWaalsContact N-O 3.16Å; Q241-P307 PolarHBondContact NE2-O 3.46Å |
| 242 | A | 91.5 | Very high | 90.6 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T240 A245 E246 D264 | T240-A242 VanDerWaalsContact C-N 3.35Å; A242-A245 PolarHBondContact O-N 3.37Å; A242-E246 WeakPolarHBondContact O-CB 3.32Å; A242-E246 PolarHBondContact O-N 2.99Å; A242-D264 PolarHBondContact N-O 2.87Å |
| 243 | Q | 92.2 | Very high | 89.7 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 173.1 | -72.1 | 163.5 | 3.9 | 0 | 0 | 111.3 | E218 T240 Q241 A245 E246 E247 | E218-Q243 PolarHBondContact OE2-NE2 3.11Å; T240-Q243 PolarHBondContact O-N 3.01Å; T240-Q243 WeakPolarHBondContact OG1-CB 3.41Å; T240-Q243 VanDerWaalsContact OG1-CD 3.3Å; T240-Q243 WeakPolarHBondContact OG1-CG 3.48Å; T240-Q243 PolarHBondContact OG1-N 3.02Å; T240-Q243 VanDerWaalsContact OG1-N 3.16Å; Q241-Q243 VanDerWaalsContact C-N 3.32Å; Q241-Q243 PolarHBondContact O-N 2.81Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 3.14Å; Q243-E246 PolarHBondContact O-N 2.88Å; Q243-E247 WeakPolarHBondContact O-CB 3.3Å; Q243-E247 WeakPolarHBondContact O-CG 3.42Å; Q243-E247 PolarHBondContact O-N 3.04Å |
| 244 | R | 92.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.038 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 176.5 | -70 | -172 | -60.6 | -80.2 | -4 | 113.1 | T239 T240 Q241 A248 F262 G277 | T239-R244 PolarHBondContact O-NH1 2.8Å; T239-R244 PolarHBondContact OG1-NH1 3.01Å; T240-R244 PolarHBondContact O-N 3.09Å; T240-R244 VanDerWaalsContact O-N 3.12Å; T240-R244 PolarHBondContact O-NH1 3.38Å; Q241-R244 PolarHBondContact O-N 2.85Å; R244-A248 VanDerWaalsContact O-CB 3.23Å; R244-A248 WeakPolarHBondContact O-CB 3.34Å; R244-A248 PolarHBondContact O-N 2.89Å; R244-F262 HydrophobicContact CB-CD1 4.02Å; R244-F262 HydrophobicContact CB-CE1 4.13Å; R244-G277 PolarHBondContact NH2-O 3.4Å |
| 245 | A | 89.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q241 A242 Q243 A248 R249 F262 D264 | Q241-A245 WeakPolarHBondContact O-CB 3.28Å; Q241-A245 PolarHBondContact O-N 2.82Å; A242-A245 PolarHBondContact O-N 3.37Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 3.14Å; A245-A248 PolarHBondContact O-N 2.83Å; A245-R249 WeakPolarHBondContact O-CG 3.28Å; A245-R249 PolarHBondContact O-N 3.38Å; A245-R249 PolarHBondContact O-NE 2.77Å; A245-F262 HydrophobicContact CB-CB 3.93Å; A245-D264 VanDerWaalsContact CB-OD1 3.28Å; A245-D264 WeakPolarHBondContact CB-OD1 3.43Å |
| 246 | E | 89.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 175.1 | 179.4 | 56.6 | -160.2 | 0 | 0 | 112.2 | A242 Q243 A248 R249 Q250 | A242-E246 WeakPolarHBondContact O-CB 3.32Å; A242-E246 PolarHBondContact O-N 2.99Å; Q243-E246 PolarHBondContact O-N 2.88Å; E246-A248 VanDerWaalsContact C-N 3.29Å; E246-A248 PolarHBondContact O-N 3.32Å; E246-R249 WeakPolarHBondContact O-CB 3.45Å; E246-R249 PolarHBondContact O-N 3.47Å; E246-R249 VanDerWaalsContact O-N 3.16Å; E246-R249 IonicContact OE2-CZ 3.3Å; E246-R249 IonicContact OE2-NE 2.77Å; E246-R249 IonicContact OE2-NH1 2.93Å; E246-R249 PolarHBondContact OE2-NH1 3.35Å; E246-Q250 WeakPolarHBondContact O-CG 3.42Å; E246-Q250 PolarHBondContact O-N 2.81Å; E246-Q250 WeakPolarHBondContact OE1-CG 3.44Å; E246-Q250 PolarHBondContact OE1-NE2 2.79Å |
| 247 | E | 86.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.4 | -44.8 | 172.2 | -75.9 | 174.9 | 179.4 | 0 | 0 | 111.3 | Q243 Q250 Q251 | Q243-E247 WeakPolarHBondContact O-CB 3.3Å; Q243-E247 WeakPolarHBondContact O-CG 3.42Å; Q243-E247 PolarHBondContact O-N 3.04Å; E247-Q250 PolarHBondContact O-N 2.71Å; E247-Q251 WeakPolarHBondContact O-CB 3.31Å; E247-Q251 VanDerWaalsContact O-CG 3.26Å; E247-Q251 WeakPolarHBondContact O-CG 3.33Å; E247-Q251 PolarHBondContact O-N 3.15Å |
| 248 | A | 83.9 | Confident | 82.2 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.7 | -31.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R244 A245 E246 A252 F262 | R244-A248 VanDerWaalsContact O-CB 3.23Å; R244-A248 WeakPolarHBondContact O-CB 3.34Å; R244-A248 PolarHBondContact O-N 2.89Å; A245-A248 PolarHBondContact O-N 2.83Å; E246-A248 VanDerWaalsContact C-N 3.29Å; E246-A248 PolarHBondContact O-N 3.32Å; A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 3.05Å; A248-A252 VanDerWaalsContact O-N 3.07Å; A248-F262 HydrophobicContact CB-CB 4.44Å; A248-F262 HydrophobicContact CB-CD2 4.04Å; A248-F262 HydrophobicContact CB-CG 4.28Å |
| 249 | R | 85.4 | Confident | 80.3 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 169.7 | -77.3 | -178.2 | -104.2 | 156.5 | -24.7 | 111.7 | A245 E246 Q251 A252 I253 D264 | A245-R249 WeakPolarHBondContact O-CG 3.28Å; A245-R249 PolarHBondContact O-N 3.38Å; A245-R249 PolarHBondContact O-NE 2.77Å; E246-R249 WeakPolarHBondContact O-CB 3.45Å; E246-R249 PolarHBondContact O-N 3.47Å; E246-R249 VanDerWaalsContact O-N 3.16Å; E246-R249 IonicContact OE2-CZ 3.3Å; E246-R249 IonicContact OE2-NE 2.77Å; E246-R249 IonicContact OE2-NH1 2.93Å; E246-R249 PolarHBondContact OE2-NH1 3.35Å; R249-Q251 PolarHBondContact O-N 3.35Å; R249-A252 PolarHBondContact O-N 3.33Å; R249-I253 VanDerWaalsContact O-CG1 3.31Å; R249-I253 WeakPolarHBondContact O-CG1 3.48Å; R249-I253 PolarHBondContact O-N 3.08Å; R249-D264 IonicContact CZ-OD1 3.35Å; R249-D264 IonicContact NH2-OD1 3.75Å; R249-D264 PolarHBondContact NH2-OD1 3.34Å; R249-D264 IonicContact NH2-OD2 2.66Å; R249-D264 PolarHBondContact NH2-OD2 2.91Å; R249-D264 VanDerWaalsContact NH2-OD2 3.14Å |
| 250 | Q | 83.5 | Confident | 78.5 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.7 | -69.8 | 178.2 | 13.3 | 0 | 0 | 111.9 | E246 E247 I253 S254 | E246-Q250 WeakPolarHBondContact O-CG 3.42Å; E246-Q250 PolarHBondContact O-N 2.81Å; E246-Q250 WeakPolarHBondContact OE1-CG 3.44Å; E246-Q250 PolarHBondContact OE1-NE2 2.79Å; E247-Q250 PolarHBondContact O-N 2.71Å; Q250-I253 PolarHBondContact O-N 3Å; Q250-S254 WeakPolarHBondContact O-CB 3.49Å; Q250-S254 PolarHBondContact O-N 2.81Å; Q250-S254 PolarHBondContact O-OG 3.28Å |
| 251 | Q | 78.4 | Confident | 77.4 | Confident | 126 Ų | 126 | 72.5 Ų | 72.5 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.6 | -47.3 | 173.5 | -75.1 | 173.2 | 20.9 | 0 | 0 | 111.5 | E247 R249 I253 S254 G255 | E247-Q251 WeakPolarHBondContact O-CB 3.31Å; E247-Q251 VanDerWaalsContact O-CG 3.26Å; E247-Q251 WeakPolarHBondContact O-CG 3.33Å; E247-Q251 PolarHBondContact O-N 3.15Å; R249-Q251 PolarHBondContact O-N 3.35Å; Q251-I253 PolarHBondContact O-N 2.96Å; Q251-S254 WeakPolarHBondContact CA-OG 3.31Å; Q251-S254 PolarHBondContact O-N 2.99Å; Q251-S254 VanDerWaalsContact O-N 3.17Å; Q251-S254 PolarHBondContact O-OG 3.1Å; Q251-G255 PolarHBondContact O-N 2.8Å |
| 252 | A | 75 | Confident | 76.9 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 7% | 0.066 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A248 R249 S254 G255 G256 T257 | A248-A252 WeakPolarHBondContact O-CB 3.24Å; A248-A252 PolarHBondContact O-N 3.05Å; A248-A252 VanDerWaalsContact O-N 3.07Å; R249-A252 PolarHBondContact O-N 3.33Å; A252-S254 PolarHBondContact O-N 2.81Å; A252-G255 PolarHBondContact O-N 2.88Å; A252-G256 PolarHBondContact O-N 3.39Å; A252-T257 PolarHBondContact O-N 2.81Å; A252-T257 VanDerWaalsContact O-N 3.14Å |
| 253 | I | 75.9 | Confident | 76.7 | Confident | 142 Ų | 142 | 74.3 Ų | 74.3 | 73% | 0.728 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 174 | -67.7 | 163.6 | 0 | 0 | 0 | 110.9 | R249 Q250 Q251 G255 | R249-I253 VanDerWaalsContact O-CG1 3.31Å; R249-I253 WeakPolarHBondContact O-CG1 3.48Å; R249-I253 PolarHBondContact O-N 3.08Å; Q250-I253 PolarHBondContact O-N 3Å; Q251-I253 PolarHBondContact O-N 2.96Å; I253-G255 VanDerWaalsContact C-N 3.35Å |
| 254 | S | 72.8 | Confident | 76.5 | Confident | 106 Ų | 106 | 75.2 Ų | 75.2 | 74% | 0.741 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.7 | -28.8 | 179.7 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | Q250 Q251 A252 | Q250-S254 WeakPolarHBondContact O-CB 3.49Å; Q250-S254 PolarHBondContact O-N 2.81Å; Q250-S254 PolarHBondContact O-OG 3.28Å; Q251-S254 WeakPolarHBondContact CA-OG 3.31Å; Q251-S254 PolarHBondContact O-N 2.99Å; Q251-S254 VanDerWaalsContact O-N 3.17Å; Q251-S254 PolarHBondContact O-OG 3.1Å; A252-S254 PolarHBondContact O-N 2.81Å |
| 255 | G | 68.9 | Low | 76.3 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 54% | 0.536 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q251 A252 I253 T257 | Q251-G255 PolarHBondContact O-N 2.8Å; A252-G255 PolarHBondContact O-N 2.88Å; I253-G255 VanDerWaalsContact C-N 3.35Å; G255-T257 PolarHBondContact O-N 2.77Å; G255-T257 PolarHBondContact O-OG1 2.82Å |
| 256 | G | 60.3 | Low | 76.2 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 79% | 0.794 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 28.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A252 | A252-G256 PolarHBondContact O-N 3.39Š|
| 257 | T | 62.3 | Low | 76 | Confident | 97 Ų | 97 | 82 Ų | 82 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | trans | -112 | 160.2 | -175 | 16.3 | 0 | 0 | 0 | 0 | 111.1 | A252 G255 | A252-T257 PolarHBondContact O-N 2.81Å; A252-T257 VanDerWaalsContact O-N 3.14Å; G255-T257 PolarHBondContact O-N 2.77Å; G255-T257 PolarHBondContact O-OG1 2.82Å | ||
| 258 | E | 59.9 | Low | 75.5 | Confident | 179 Ų | 179 | 79.8 Ų | 79.8 | 84% | 0.836 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 145.6 | 176.5 | -76.8 | -134 | 145.1 | 0 | 0 | 111.6 | S260 | E258-S260 PolarHBondContact O-N 2.77Š|
| 259 | P | 55.6 | Low | 75.5 | Confident | 99 Ų | 99 | 86.4 Ų | 86.4 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 125.8 | -177.4 | 23.5 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 260 | S | 57.4 | Low | 75.5 | Confident | 50 Ų | 50 | 82.5 Ų | 82.5 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -59 | 138.9 | -176.1 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | E258 F262 | E258-S260 PolarHBondContact O-N 2.77Å; S260-F262 PolarHBondContact O-N 2.72Å; S260-F262 WeakPolarHBondContact OG-CD2 3.32Å |
| 261 | A | 70.5 | Confident | 75.4 | Confident | 85 Ų | 85 | 79.9 Ų | 79.9 | 70% | 0.702 | 49% | 0.489 | S | S | * | . | trans | -75.1 | 26.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P263 | A261-P263 VanDerWaalsContact O-CD 3.27Å; A261-P263 WeakPolarHBondContact O-CD 3.26Å | ||
| 262 | F | 83.2 | Confident | 75.7 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 16% | 0.162 | 47% | 0.465 | C | S | . | . | trans | -73.9 | 115.6 | 173 | -85.2 | -112.2 | 0 | 0 | 0 | 109.6 | R244 A245 A248 S260 W305 T306 P307 | R244-F262 HydrophobicContact CB-CD1 4.02Å; R244-F262 HydrophobicContact CB-CE1 4.13Å; A245-F262 HydrophobicContact CB-CB 3.93Å; A248-F262 HydrophobicContact CB-CB 4.44Å; A248-F262 HydrophobicContact CB-CD2 4.04Å; A248-F262 HydrophobicContact CB-CG 4.28Å; S260-F262 PolarHBondContact O-N 2.72Å; S260-F262 WeakPolarHBondContact OG-CD2 3.32Å; F262-W305 WeakPolarHBondContact CZ-O 3.34Å; F262-T306 WeakPolarHBondContact CE1-O 3.25Å; F262-P307 HydrophobicContact CD2-CB 3.9Å; F262-P307 HydrophobicContact CD2-CG 3.76Å; F262-P307 HydrophobicContact CE2-CB 4.12Å; F262-P307 HydrophobicContact CE2-CG 3.62Å; F262-P307 HydrophobicContact CG-CB 4.14Å; F262-P307 HydrophobicContact CG-CG 4.48Å; F262-P307 HydrophobicContact CZ-CG 4.24Å | ||
| 263 | P | 87.8 | Confident | 76.2 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | trans | -74.8 | 148.5 | 173.4 | 33.1 | -35.5 | 0 | 0 | 0 | 110.1 | Q241 A261 T265 L266 P307 | Q241-P263 WeakPolarHBondContact CG-O 3.33Å; Q241-P263 PolarHBondContact NE2-O 2.85Å; A261-P263 VanDerWaalsContact O-CD 3.27Å; A261-P263 WeakPolarHBondContact O-CD 3.26Å; P263-T265 WeakPolarHBondContact CB-O 3.38Å; P263-T265 WeakPolarHBondContact CG-O 3.49Å; P263-T265 PolarHBondContact O-N 3Å; P263-L266 HydrophobicContact CG-CD2 4.33Å; P263-P307 WeakPolarHBondContact CD-O 3.47Å | ||
| 264 | D | 88 | Confident | 76.8 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -66.5 | -22.4 | 179.6 | -64.3 | -14.9 | 0 | 0 | 0 | 113.4 | A242 A245 R249 | A242-D264 PolarHBondContact N-O 2.87Å; A245-D264 VanDerWaalsContact CB-OD1 3.28Å; A245-D264 WeakPolarHBondContact CB-OD1 3.43Å; R249-D264 IonicContact CZ-OD1 3.35Å; R249-D264 IonicContact NH2-OD1 3.75Å; R249-D264 PolarHBondContact NH2-OD1 3.34Å; R249-D264 IonicContact NH2-OD2 2.66Å; R249-D264 PolarHBondContact NH2-OD2 2.91Å; R249-D264 VanDerWaalsContact NH2-OD2 3.14Å |
| 265 | T | 88.1 | Confident | 77.7 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 69% | 0.693 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -132.9 | 152.9 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | P263 | P263-T265 WeakPolarHBondContact CB-O 3.38Å; P263-T265 WeakPolarHBondContact CG-O 3.49Å; P263-T265 PolarHBondContact O-N 3Å |
| 266 | L | 87.4 | Confident | 78.6 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 14% | 0.141 | 42% | 0.422 | C | S | . | . | trans | -108.4 | 151.6 | 175 | -67.9 | 166.6 | 0 | 0 | 0 | 109.6 | Q241 P263 G268 R332 | Q241-L266 HydrophobicContact CB-CD1 4.2Å; Q241-L266 HydrophobicContact CB-CG 4.3Å; Q241-L266 HydrophobicContact CG-CD1 4.09Å; Q241-L266 HydrophobicContact CG-CD2 4.37Å; Q241-L266 HydrophobicContact CG-CG 3.8Å; P263-L266 HydrophobicContact CG-CD2 4.33Å; L266-G268 PolarHBondContact O-N 3.15Å; L266-R332 VanDerWaalsContact CD1-NH2 3.32Å | ||
| 267 | P | 84 | Confident | 80 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | trans | -53.4 | 125.9 | 168.1 | -24.6 | 33.8 | 0 | 0 | 0 | 110 | Y269 R332 | P267-Y269 PolarHBondContact O-N 2.91Å; P267-R332 PolarHBondContact O-NH1 2.84Å; P267-R332 VanDerWaalsContact O-NH1 3.08Å | ||
| 268 | G | 77.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 45% | 0.454 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -67.4 | -2.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L266 R274 D275 | L266-G268 PolarHBondContact O-N 3.15Å; G268-R274 WeakPolarHBondContact O-CA 3.49Å; G268-R274 WeakPolarHBondContact O-CG 3.2Å; G268-D275 PolarHBondContact O-N 3.12Å |
| 269 | Y | 83.7 | Confident | 83.2 | Confident | 150 Ų | 150 | 57 Ų | 57 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.8 | 179 | -160.3 | -97 | 0 | 0 | 0 | 111.5 | P75 P267 R274 | P75-Y269 WeakPolarHBondContact CG-OH 3.4Å; P267-Y269 PolarHBondContact O-N 2.91Å; Y269-R274 HydrophobicContact CD2-CB 4.35Å |
| 270 | T | 85.7 | Confident | 85.1 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 169.5 | 176.7 | 67.6 | 0 | 0 | 0 | 0 | 109.7 | P83 Y272 G273 D275 R332 | P83-T270 HydrophobicContact CB-CG2 4.34Å; T270-Y272 PolarHBondContact O-N 2.73Å; T270-Y272 PolarHBondContact OG1-N 2.87Å; T270-G273 PolarHBondContact N-O 3.33Å; T270-G273 PolarHBondContact O-N 2.69Å; T270-G273 PolarHBondContact OG1-N 3.14Å; T270-G273 PolarHBondContact OG1-O 2.89Å; T270-D275 HydrophobicContact CG2-CB 4.23Å; T270-R332 HydrophobicContact CG2-CG 4.38Å |
| 271 | E | 81.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.8 | 171.5 | -58.8 | -161.9 | 118.5 | 0 | 0 | 113 | R71 R334 | R71-E271 HydrophobicContact CG-CB 4.42Å; R71-E271 IonicContact CZ-OE1 2.88Å; R71-E271 IonicContact NH1-OE1 3.41Å; R71-E271 PolarHBondContact NH1-OE1 3.4Å; E271-R334 IonicContact OE1-NH2 3.19Å; E271-R334 IonicContact OE2-CZ 3.91Å; E271-R334 IonicContact OE2-NE 3.71Å; E271-R334 IonicContact OE2-NH2 2.78Å; E271-R334 PolarHBondContact OE2-NH2 3.46Å |
| 272 | Y | 83.2 | Confident | 88.2 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 14.8 | -179.7 | -53.8 | -86.8 | 0 | 0 | 0 | 113.3 | S68 P83 T270 G333 R334 | S68-Y272 WeakPolarHBondContact O-CE1 3.2Å; P83-Y272 HydrophobicContact CB-CD2 3.95Å; P83-Y272 HydrophobicContact CB-CG 4.36Å; T270-Y272 PolarHBondContact O-N 2.73Å; T270-Y272 PolarHBondContact OG1-N 2.87Å; Y272-G333 VanDerWaalsContact CE2-C 3.43Å; Y272-R334 WeakPolarHBondContact OH-CA 3.07Å |
| 273 | G | 86.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 109.7 | -174.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | T270 | T270-G273 PolarHBondContact N-O 3.33Å; T270-G273 PolarHBondContact O-N 2.69Å; T270-G273 PolarHBondContact OG1-N 3.14Å; T270-G273 PolarHBondContact OG1-O 2.89Å |
| 274 | R | 88.5 | Confident | 89.2 | Confident | 184 Ų | 184 | 47.1 Ų | 47.1 | 69% | 0.694 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131.7 | 178.5 | -168 | -174.4 | 179 | 172.3 | -2.2 | 110.2 | P77 V78 G268 Y269 | P77-R274 CarbonylContact C-O 3.57Å; P77-R274 WeakPolarHBondContact CA-O 3.42Å; V78-R274 PolarHBondContact N-O 2.66Å; G268-R274 WeakPolarHBondContact O-CA 3.49Å; G268-R274 WeakPolarHBondContact O-CG 3.2Å; Y269-R274 HydrophobicContact CD2-CB 4.35Å |
| 275 | D | 90.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | trans | -115.1 | 128 | -179.8 | -175.5 | 12 | 0 | 0 | 0 | 110.8 | V78 G268 T270 G277 R279 R332 | V78-D275 HydrophobicContact CB-CB 4.09Å; V78-D275 HydrophobicContact CG2-CB 4.02Å; G268-D275 PolarHBondContact O-N 3.12Å; T270-D275 HydrophobicContact CG2-CB 4.23Å; D275-G277 PolarHBondContact OD1-N 2.81Å; D275-R279 VanDerWaalsContact CG-NH2 3.27Å; D275-R279 IonicContact OD1-CZ 2.77Å; D275-R279 IonicContact OD1-NH1 3.68Å; D275-R279 PolarHBondContact OD1-NH1 2.97Å; D275-R279 IonicContact OD1-NH2 3.73Å; D275-R279 PolarHBondContact OD1-NH2 3Å; D275-R279 IonicContact OD2-CZ 3.15Å; D275-R279 IonicContact OD2-NH2 2.71Å; D275-R279 PolarHBondContact OD2-NH2 3.41Å; D275-R332 IonicContact OD2-CZ 3.12Å; D275-R332 IonicContact OD2-NH1 2.7Å; D275-R332 PolarHBondContact OD2-NH1 2.89Å; D275-R332 IonicContact OD2-NH2 3.34Å; D275-R332 PolarHBondContact OD2-NH2 2.72Å | ||
| 276 | N | 88.7 | Confident | 90 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 43% | 0.433 | 21% | 0.208 | S | C | . | . | trans | -91.9 | -10.4 | 177.1 | 62.4 | 7.3 | 0 | 0 | 0 | 113.1 | E222 I278 | E222-N276 PolarHBondContact OE1-ND2 3.07Å; N276-I278 VanDerWaalsContact C-N 3.25Å; N276-I278 HydrophobicContact CB-CG1 4.5Å; N276-I278 PolarHBondContact O-N 3.15Å; N276-I278 PolarHBondContact OD1-N 2.71Å | ||
| 277 | G | 90.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | 71.5 | 11.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q241 R244 D275 | Q241-G277 PolarHBondContact N-O 2.95Å; Q241-G277 VanDerWaalsContact N-O 3.16Å; R244-G277 PolarHBondContact NH2-O 3.4Å; D275-G277 PolarHBondContact OD1-N 2.81Å | ||
| 278 | I | 93.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | trans | -85.8 | 137.2 | 172.6 | -57.1 | 171.8 | 0 | 0 | 0 | 108.7 | E218 F219 E222 L238 T239 N276 | E218-I278 WeakPolarHBondContact O-CD1 3.27Å; F219-I278 HydrophobicContact CD1-CD1 4.26Å; F219-I278 HydrophobicContact CD1-CG1 4.45Å; F219-I278 HydrophobicContact CD1-CG2 3.78Å; F219-I278 HydrophobicContact CE1-CG2 4.09Å; E222-I278 HydrophobicContact CG-CB 4.36Å; E222-I278 HydrophobicContact CG-CD1 3.72Å; E222-I278 HydrophobicContact CG-CG2 4.04Å; L238-I278 HydrophobicContact CB-CG2 4.04Å; L238-I278 HydrophobicContact CD1-CG2 4.14Å; T239-I278 WeakPolarHBondContact O-CA 3.39Å; N276-I278 VanDerWaalsContact C-N 3.25Å; N276-I278 HydrophobicContact CB-CG1 4.5Å; N276-I278 PolarHBondContact O-N 3.15Å; N276-I278 PolarHBondContact OD1-N 2.71Å | ||
| 279 | R | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.2 | -178.6 | -59 | -64.8 | -179.9 | -93.7 | -1.5 | 113.2 | S80 L238 T239 D275 W305 G309 | S80-R279 CarbonylContact O-C 3.54Å; S80-R279 VanDerWaalsContact O-CA 3.23Å; S80-R279 WeakPolarHBondContact O-CA 3.36Å; S80-R279 WeakPolarHBondContact O-CD 3.32Å; L238-R279 CarbonylContact C-O 3.25Å; L238-R279 VanDerWaalsContact CA-O 3.29Å; L238-R279 WeakPolarHBondContact CA-O 3.04Å; T239-R279 PolarHBondContact N-O 2.65Å; T239-R279 PolarHBondContact O-N 2.81Å; D275-R279 VanDerWaalsContact CG-NH2 3.27Å; D275-R279 IonicContact OD1-CZ 2.77Å; D275-R279 IonicContact OD1-NH1 3.68Å; D275-R279 PolarHBondContact OD1-NH1 2.97Å; D275-R279 IonicContact OD1-NH2 3.73Å; D275-R279 PolarHBondContact OD1-NH2 3Å; D275-R279 IonicContact OD2-CZ 3.15Å; D275-R279 IonicContact OD2-NH2 2.71Å; D275-R279 PolarHBondContact OD2-NH2 3.41Å; R279-W305 HydrophobicContact CB-CD2 3.77Å; R279-W305 HydrophobicContact CB-CE3 4.23Å; R279-W305 HydrophobicContact CB-CG 4.26Å; R279-W305 HydrophobicContact CB-CH2 4.45Å; R279-W305 HydrophobicContact CB-CZ2 3.94Å; R279-W305 HydrophobicContact CG-CD2 3.78Å; R279-W305 HydrophobicContact CG-CE3 3.8Å; R279-W305 HydrophobicContact CG-CG 4.34Å; R279-W305 HydrophobicContact CG-CZ2 4.47Å; R279-W305 HydrophobicContact CG-CZ3 4.19Å; R279-G309 VanDerWaalsContact CZ-O 3.28Å; R279-G309 PolarHBondContact NE-O 2.84Å; R279-G309 PolarHBondContact NH2-O 3.09Å |
| 280 | L | 95.8 | Very high | 92 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.9 | 171.3 | -178.4 | 62.2 | 0 | 0 | 0 | 109.9 | L63 S80 L81 L236 L238 V283 Y303 W305 | L63-L280 HydrophobicContact CD1-CD2 4.21Å; S80-L280 PolarHBondContact O-N 3.17Å; L81-L280 HydrophobicContact CD2-CD2 4.49Å; L236-L280 HydrophobicContact CB-CD1 3.73Å; L236-L280 HydrophobicContact CD2-CD1 4.17Å; L236-L280 HydrophobicContact CG-CD1 3.9Å; L238-L280 HydrophobicContact CD2-CB 4.34Å; L238-L280 HydrophobicContact CD2-CD1 4.15Å; L280-V283 HydrophobicContact CD1-CG2 4.32Å; L280-V283 HydrophobicContact CD2-CG2 4.18Å; L280-Y303 HydrophobicContact CB-CD2 4.31Å; L280-Y303 HydrophobicContact CD2-CD2 4.02Å; L280-Y303 HydrophobicContact CD2-CE2 3.53Å; L280-Y303 HydrophobicContact CG-CD2 3.81Å; L280-Y303 HydrophobicContact CG-CE2 3.83Å; L280-Y303 WeakPolarHBondContact O-CB 3.37Å; L280-W305 VanDerWaalsContact O-CE2 3.31Å; L280-W305 WeakPolarHBondContact O-CZ2 3.33Å; L280-W305 PolarHBondContact O-NE1 2.85Å |
| 281 | S | 95.4 | Very high | 92.3 | Very high | 25 Ų | 25 | 38 Ų | 38 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -32.9 | -179.6 | -63.8 | 0 | 0 | 0 | 0 | 113 | V237 T239 R302 Y303 | V237-S281 PolarHBondContact O-N 2.89Å; T239-S281 VanDerWaalsContact CG2-OG 3.25Å; T239-S281 WeakPolarHBondContact CG2-OG 3.09Å; T239-S281 PolarHBondContact OG1-OG 3.35Å; S281-R302 VanDerWaalsContact O-CA 3.31Å; S281-R302 WeakPolarHBondContact O-CA 3.37Å; S281-Y303 PolarHBondContact O-N 2.92Å |
| 282 | A | 96.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 158.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V237 P299 V301 R302 | V237-A282 HydrophobicContact CB-CB 4.26Å; V237-A282 HydrophobicContact CG2-CB 4.45Å; V237-A282 PolarHBondContact N-O 2.78Å; A282-P299 HydrophobicContact CB-CB 3.98Å; A282-P299 HydrophobicContact CB-CG 4.39Å; A282-V301 WeakPolarHBondContact CA-O 3.48Å; A282-R302 HydrophobicContact CB-CG 4.05Å |
| 283 | V | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.9 | 169.7 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | I53 F61 F234 R235 L236 L280 P299 L300 V301 | I53-V283 HydrophobicContact CD1-CB 3.58Å; I53-V283 HydrophobicContact CD1-CG1 3.77Å; I53-V283 HydrophobicContact CD1-CG2 3.97Å; F61-V283 HydrophobicContact CE1-CG1 4.09Å; F234-V283 HydrophobicContact CB-CG1 4.33Å; F234-V283 HydrophobicContact CD1-CG1 4.47Å; R235-V283 WeakPolarHBondContact O-CA 3.45Å; L236-V283 HydrophobicContact CD1-CG1 4.42Å; L236-V283 HydrophobicContact CG-CG2 4.34Å; L280-V283 HydrophobicContact CD1-CG2 4.32Å; L280-V283 HydrophobicContact CD2-CG2 4.18Å; V283-P299 CarbonylContact O-C 3.51Å; V283-P299 VanDerWaalsContact O-CA 3.27Å; V283-P299 WeakPolarHBondContact O-CA 3.2Å; V283-P299 VanDerWaalsContact O-CB 3.22Å; V283-P299 WeakPolarHBondContact O-CB 3.28Å; V283-L300 PolarHBondContact O-N 2.86Å; V283-V301 HydrophobicContact CB-CG1 3.97Å; V283-V301 HydrophobicContact CG2-CG1 3.71Å; V283-V301 PolarHBondContact N-O 3.14Å; V283-V301 VanDerWaalsContact N-O 3.12Å |
| 284 | W | 96.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.4 | 178.3 | -66.7 | 80.1 | 0 | 0 | 0 | 110.9 | F234 R235 T286 P299 | F234-W284 CarbonylContact C-O 3.48Å; F234-W284 WeakPolarHBondContact CA-O 3.33Å; R235-W284 HydrophobicContact CB-CB 4.45Å; R235-W284 PolarHBondContact N-O 3Å; R235-W284 PolarHBondContact O-N 2.87Å; W284-T286 HydrophobicContact CB-CG2 4.02Å; W284-P299 HydrophobicContact CD2-CB 4Å; W284-P299 HydrophobicContact CG-CB 4.25Å; W284-P299 HydrophobicContact CZ2-CB 4.23Å; W284-P299 HydrophobicContact CZ2-CG 4.16Å |
| 285 | L | 95.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.2 | 162.9 | 178.6 | 61 | 0 | 0 | 0 | 108.3 | L55 R232 F234 H287 D288 L295 P296 L300 | L55-L285 HydrophobicContact CD1-CD2 4.3Å; R232-L285 HydrophobicContact CB-CD1 3.9Å; R232-L285 HydrophobicContact CG-CD1 4.38Å; F234-L285 HydrophobicContact CD1-CD1 4.18Å; F234-L285 HydrophobicContact CE1-CD1 3.91Å; F234-L285 HydrophobicContact CZ-CD1 4.16Å; L285-H287 WeakPolarHBondContact CD1-O 3.36Å; L285-D288 HydrophobicContact CD2-CB 4.36Å; L285-L295 HydrophobicContact CG-CD2 4.14Å; L285-P296 HydrophobicContact CB-CG 4.13Å; L285-P296 HydrophobicContact CD2-CG 4.19Å; L285-L300 HydrophobicContact CB-CD1 4.13Å |
| 286 | T | 95.8 | Very high | 93.3 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 41% | 0.405 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -16.1 | -169.9 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | H233 R235 W284 L295 | H233-T286 PolarHBondContact O-N 3.15Å; H233-T286 PolarHBondContact O-OG1 3.16Å; R235-T286 HydrophobicContact CB-CG2 3.61Å; W284-T286 HydrophobicContact CB-CG2 4.02Å; T286-L295 WeakPolarHBondContact O-CD1 2.92Å |
| 287 | H | 95.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 38% | 0.375 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.5 | 167.1 | 179.6 | 61.3 | 0 | 0 | 0 | 108.4 | R232 H233 L285 | R232-H287 CarbonylContact C-O 3.56Å; R232-H287 WeakPolarHBondContact CA-O 3.3Å; H233-H287 HydrophobicContact CB-CB 3.8Å; H233-H287 PolarHBondContact N-O 3.15Å; H233-H287 PolarHBondContact O-N 2.83Å; L285-H287 WeakPolarHBondContact CD1-O 3.36Å |
| 288 | D | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -132.5 | 116.4 | 173.8 | -170.2 | -61.2 | 0 | 0 | 0 | 107.7 | R232 L285 E290 Y291 P292 L295 Y525 | R232-D288 VanDerWaalsContact CD-OD2 3.29Å; R232-D288 WeakPolarHBondContact CD-OD2 3.48Å; L285-D288 HydrophobicContact CD2-CB 4.36Å; D288-E290 PolarHBondContact O-N 2.74Å; D288-E290 PolarHBondContact OD1-N 3.2Å; D288-Y291 CarbonylContact O-C 3.52Å; D288-Y291 WeakPolarHBondContact OD1-CD2 3.16Å; D288-Y291 PolarHBondContact OD1-N 3.2Å; D288-P292 VanDerWaalsContact O-CA 3.24Å; D288-P292 WeakPolarHBondContact O-CA 3.4Å; D288-P292 WeakPolarHBondContact O-CD 3.33Å; D288-P292 VanDerWaalsContact O-N 3.12Å; D288-L295 HydrophobicContact CB-CD2 3.9Å; D288-Y525 PolarHBondContact OD1-OH 3.18Å; D288-Y525 PolarHBondContact OD2-OH 2.74Å | ||
| 289 | P | 93.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -64 | -23.7 | -178 | -27.7 | 35.6 | 0 | 0 | 0 | 115.3 | G231 Y525 | G231-P289 WeakPolarHBondContact O-CG 3.36Å; P289-Y525 WeakPolarHBondContact CD-OH 3.34Å |
| 290 | E | 90.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -98.4 | -29.6 | -177.7 | -158.8 | 163.2 | 149.4 | 0 | 0 | 111.2 | D288 P292 Y525 | D288-E290 PolarHBondContact O-N 2.74Å; D288-E290 PolarHBondContact OD1-N 3.2Å; E290-P292 WeakPolarHBondContact O-CD 3.36Å; E290-Y525 HydrophobicContact CB-CE2 3.61Å; E290-Y525 HydrophobicContact CG-CE2 4.32Å; E290-Y525 WeakPolarHBondContact OE2-CD2 3.17Å; E290-Y525 WeakPolarHBondContact OE2-CE2 3.42Å |
| 291 | Y | 91.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 50 Ų | 50 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -122.1 | 50.3 | 179.4 | -55.6 | -80.8 | 0 | 0 | 0 | 113.7 | D288 E293 N294 Y525 H543 R545 | D288-Y291 CarbonylContact O-C 3.52Å; D288-Y291 WeakPolarHBondContact OD1-CD2 3.16Å; D288-Y291 PolarHBondContact OD1-N 3.2Å; Y291-E293 VanDerWaalsContact C-N 3.28Å; Y291-E293 PolarHBondContact O-N 3.32Å; Y291-N294 PolarHBondContact O-N 3.42Å; Y291-Y525 HydrophobicContact CD2-CE2 4.28Å; Y291-Y525 HydrophobicContact CE2-CE2 4.07Å; Y291-H543 PolarHBondContact OH-O 3.45Å; Y291-H543 VanDerWaalsContact OH-O 3.12Å; Y291-R545 HydrophobicContact CD1-CB 4.17Å; Y291-R545 HydrophobicContact CD2-CB 3.73Å; Y291-R545 HydrophobicContact CE2-CB 4.19Å; Y291-R545 HydrophobicContact CG-CB 3.73Å |
| 292 | P | 91.6 | Very high | 93.4 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.4 | -169 | 25.6 | -35.8 | 0 | 0 | 0 | 114.3 | D288 E290 | D288-P292 VanDerWaalsContact O-CA 3.24Å; D288-P292 WeakPolarHBondContact O-CA 3.4Å; D288-P292 WeakPolarHBondContact O-CD 3.33Å; D288-P292 VanDerWaalsContact O-N 3.12Å; E290-P292 WeakPolarHBondContact O-CD 3.36Å |
| 293 | E | 91.3 | Very high | 93.4 | Very high | 197 Ų | 197 | 54.5 Ų | 54.5 | 92% | 0.921 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.1 | 178.5 | -59.9 | -172.1 | 168.2 | 0 | 0 | 113.4 | Y291 | Y291-E293 VanDerWaalsContact C-N 3.28Å; Y291-E293 PolarHBondContact O-N 3.32Å |
| 294 | N | 88 | Confident | 93.3 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | trans | -124.3 | 50.9 | -171.8 | -170.9 | 12.9 | 0 | 0 | 0 | 112.3 | Y291 R545 | Y291-N294 PolarHBondContact O-N 3.42Å; N294-R545 WeakPolarHBondContact O-CD 3.41Å; N294-R545 PolarHBondContact O-NH1 2.97Å; N294-R545 PolarHBondContact OD1-NH1 2.77Å | ||
| 295 | L | 91.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | trans | -72.9 | 151.4 | 177.1 | -65.3 | 171.8 | 0 | 0 | 0 | 112.7 | L285 T286 D288 A297 R545 | L285-L295 HydrophobicContact CG-CD2 4.14Å; T286-L295 WeakPolarHBondContact O-CD1 2.92Å; D288-L295 HydrophobicContact CB-CD2 3.9Å; L295-A297 PolarHBondContact O-N 3.01Å; L295-R545 PolarHBondContact O-NH1 3.24Å | ||
| 296 | P | 89.4 | Confident | 93.1 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | trans | -61.1 | 129.6 | 176.1 | -24.9 | 35.9 | 0 | 0 | 0 | 113.3 | L285 A298 L300 F546 | L285-P296 HydrophobicContact CB-CG 4.13Å; L285-P296 HydrophobicContact CD2-CG 4.19Å; P296-A298 WeakPolarHBondContact CB-O 3.47Å; P296-A298 PolarHBondContact O-N 3.37Å; P296-L300 HydrophobicContact CB-CD2 4.49Å; P296-L300 HydrophobicContact CG-CD2 4.13Å; P296-F546 HydrophobicContact CB-CE1 4.47Å; P296-F546 HydrophobicContact CG-CE1 3.89Å; P296-F546 HydrophobicContact CG-CZ 4.27Å | ||
| 297 | A | 88.6 | Confident | 92.8 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 84% | 0.835 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -76.1 | -7.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | L295 | L295-A297 PolarHBondContact O-N 3.01Š|
| 298 | A | 91.6 | Very high | 92.5 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -132.7 | 156.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P296 | P296-A298 WeakPolarHBondContact CB-O 3.47Å; P296-A298 PolarHBondContact O-N 3.37Å |
| 299 | P | 94.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | trans | -64.7 | 150.1 | 175.6 | 28.3 | -34.1 | 0 | 0 | 0 | 111.2 | A282 V283 W284 V301 R302 | A282-P299 HydrophobicContact CB-CB 3.98Å; A282-P299 HydrophobicContact CB-CG 4.39Å; V283-P299 CarbonylContact O-C 3.51Å; V283-P299 VanDerWaalsContact O-CA 3.27Å; V283-P299 WeakPolarHBondContact O-CA 3.2Å; V283-P299 VanDerWaalsContact O-CB 3.22Å; V283-P299 WeakPolarHBondContact O-CB 3.28Å; W284-P299 HydrophobicContact CD2-CB 4Å; W284-P299 HydrophobicContact CG-CB 4.25Å; W284-P299 HydrophobicContact CZ2-CB 4.23Å; W284-P299 HydrophobicContact CZ2-CG 4.16Å; P299-V301 VanDerWaalsContact C-N 3.29Å; P299-V301 PolarHBondContact O-N 2.88Å; P299-R302 HydrophobicContact CB-CG 4.2Å; P299-R302 HydrophobicContact CG-CG 3.49Å; P299-R302 VanDerWaalsContact CG-CG 3.49Å | ||
| 300 | L | 94.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -69.3 | -27.6 | 177.7 | -63.4 | -178 | 0 | 0 | 0 | 112.6 | I53 L55 F234 V283 L285 P296 R317 F546 | I53-L300 HydrophobicContact CD1-CB 3.52Å; I53-L300 HydrophobicContact CD1-CD1 4.43Å; I53-L300 HydrophobicContact CG1-CB 3.97Å; I53-L300 HydrophobicContact CG2-CD1 4.05Å; L55-L300 HydrophobicContact CD1-CD1 4.2Å; F234-L300 HydrophobicContact CD1-CD1 4.13Å; F234-L300 HydrophobicContact CE1-CD1 3.93Å; V283-L300 PolarHBondContact O-N 2.86Å; L285-L300 HydrophobicContact CB-CD1 4.13Å; P296-L300 HydrophobicContact CB-CD2 4.49Å; P296-L300 HydrophobicContact CG-CD2 4.13Å; L300-R317 WeakPolarHBondContact O-CA 3.24Å; L300-R317 WeakPolarHBondContact O-CB 3.36Å; L300-R317 PolarHBondContact O-N 2.91Å; L300-F546 HydrophobicContact CD2-CD1 4.35Å; L300-F546 HydrophobicContact CD2-CE1 3.84Å |
| 301 | V | 95.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 156.4 | 173 | 77.3 | 0 | 0 | 0 | 0 | 109.8 | D52 I53 A282 V283 P299 Y303 V314 Y315 | D52-V301 HydrophobicContact CB-CG2 3.89Å; I53-V301 HydrophobicContact CD1-CB 3.72Å; I53-V301 HydrophobicContact CD1-CG1 3.4Å; I53-V301 VanDerWaalsContact CD1-CG1 3.4Å; I53-V301 HydrophobicContact CG1-CB 3.86Å; I53-V301 HydrophobicContact CG1-CG1 4Å; A282-V301 WeakPolarHBondContact CA-O 3.48Å; V283-V301 HydrophobicContact CB-CG1 3.97Å; V283-V301 HydrophobicContact CG2-CG1 3.71Å; V283-V301 PolarHBondContact N-O 3.14Å; V283-V301 VanDerWaalsContact N-O 3.12Å; P299-V301 VanDerWaalsContact C-N 3.29Å; P299-V301 PolarHBondContact O-N 2.88Å; V301-Y303 HydrophobicContact CG1-CE2 3.55Å; V301-Y303 WeakPolarHBondContact CG1-OH 3.3Å; V301-Y303 HydrophobicContact CG2-CE1 4.22Å; V301-Y303 HydrophobicContact CG2-CE2 4.38Å; V301-V314 HydrophobicContact CG2-CG1 3.89Å; V301-Y315 WeakPolarHBondContact CA-O 3.41Å; V301-Y315 WeakPolarHBondContact CG2-O 3.19Å |
| 302 | R | 96.8 | Very high | 92.8 | Very high | 115 Ų | 115 | 45.4 Ų | 45.4 | 43% | 0.434 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 159.9 | 166.4 | -57 | 174.5 | 61.3 | -177.5 | 1.5 | 112.4 | S281 A282 P299 Y315 N319 | S281-R302 VanDerWaalsContact O-CA 3.31Å; S281-R302 WeakPolarHBondContact O-CA 3.37Å; A282-R302 HydrophobicContact CB-CG 4.05Å; P299-R302 HydrophobicContact CB-CG 4.2Å; P299-R302 HydrophobicContact CG-CG 3.49Å; P299-R302 VanDerWaalsContact CG-CG 3.49Å; R302-Y315 HydrophobicContact CB-CD2 4.32Å; R302-Y315 PolarHBondContact N-O 2.8Å; R302-Y315 PolarHBondContact O-N 2.86Å; R302-N319 VanDerWaalsContact CD-OD1 3.26Å; R302-N319 WeakPolarHBondContact CD-OD1 3.42Å; R302-N319 PolarHBondContact NH1-OD1 2.68Å |
| 303 | Y | 96.8 | Very high | 93 | Very high | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.6 | 179.3 | -57.6 | -73.2 | 0 | 0 | 0 | 112.1 | D52 L63 L81 L280 S281 V301 W305 L311 A313 V314 | D52-Y303 VanDerWaalsContact OD2-CE1 3.24Å; D52-Y303 WeakPolarHBondContact OD2-CE1 3.33Å; D52-Y303 PolarHBondContact OD2-OH 3.32Å; L63-Y303 HydrophobicContact CD2-CE2 4.49Å; L63-Y303 WeakPolarHBondContact CD2-OH 3.17Å; L81-Y303 HydrophobicContact CD2-CE1 4.42Å; L280-Y303 HydrophobicContact CB-CD2 4.31Å; L280-Y303 HydrophobicContact CD2-CD2 4.02Å; L280-Y303 HydrophobicContact CD2-CE2 3.53Å; L280-Y303 HydrophobicContact CG-CD2 3.81Å; L280-Y303 HydrophobicContact CG-CE2 3.83Å; L280-Y303 WeakPolarHBondContact O-CB 3.37Å; S281-Y303 PolarHBondContact O-N 2.92Å; V301-Y303 HydrophobicContact CG1-CE2 3.55Å; V301-Y303 WeakPolarHBondContact CG1-OH 3.3Å; V301-Y303 HydrophobicContact CG2-CE1 4.22Å; V301-Y303 HydrophobicContact CG2-CE2 4.38Å; Y303-W305 HydrophobicContact CG-CZ2 4.32Å; Y303-L311 HydrophobicContact CD1-CD1 3.7Å; Y303-L311 HydrophobicContact CG-CD1 4.22Å; Y303-A313 WeakPolarHBondContact CA-O 3.48Å; Y303-V314 HydrophobicContact CD1-CB 4.43Å; Y303-V314 HydrophobicContact CD1-CG1 4.25Å; Y303-V314 HydrophobicContact CD1-CG2 3.97Å; Y303-V314 HydrophobicContact CE1-CB 4.4Å; Y303-V314 HydrophobicContact CE1-CG1 3.83Å; Y303-V314 HydrophobicContact CE1-CG2 3.97Å |
| 304 | G | 94.8 | Very high | 93.2 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A312 A313 | G304-A312 PolarHBondContact O-N 2.87Å; G304-A313 PolarHBondContact N-O 2.9Å; G304-A313 PolarHBondContact O-N 2.86Å |
| 305 | W | 94.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.7 | -171.1 | -62.6 | 99.4 | 0 | 0 | 0 | 111.9 | L81 F262 R279 L280 Y303 E310 L311 | L81-W305 VanDerWaalsContact C-CH2 3.46Å; L81-W305 HydrophobicContact CD2-CH2 4.43Å; L81-W305 VanDerWaalsContact O-CH2 3.26Å; L81-W305 WeakPolarHBondContact O-CH2 3.34Å; L81-W305 VanDerWaalsContact O-CZ3 3.25Å; L81-W305 WeakPolarHBondContact O-CZ3 3.47Å; F262-W305 WeakPolarHBondContact CZ-O 3.34Å; R279-W305 HydrophobicContact CB-CD2 3.77Å; R279-W305 HydrophobicContact CB-CE3 4.23Å; R279-W305 HydrophobicContact CB-CG 4.26Å; R279-W305 HydrophobicContact CB-CH2 4.45Å; R279-W305 HydrophobicContact CB-CZ2 3.94Å; R279-W305 HydrophobicContact CG-CD2 3.78Å; R279-W305 HydrophobicContact CG-CE3 3.8Å; R279-W305 HydrophobicContact CG-CG 4.34Å; R279-W305 HydrophobicContact CG-CZ2 4.47Å; R279-W305 HydrophobicContact CG-CZ3 4.19Å; L280-W305 VanDerWaalsContact O-CE2 3.31Å; L280-W305 WeakPolarHBondContact O-CZ2 3.33Å; L280-W305 PolarHBondContact O-NE1 2.85Å; Y303-W305 HydrophobicContact CG-CZ2 4.32Å; W305-E310 CarbonylContact C-O 3.56Å; W305-E310 WeakPolarHBondContact CA-O 3.16Å; W305-E310 VanDerWaalsContact CE3-C 3.45Å; W305-L311 HydrophobicContact CE3-CB 4.33Å; W305-L311 HydrophobicContact CH2-CB 3.73Å; W305-L311 HydrophobicContact CH2-CD1 3.61Å; W305-L311 HydrophobicContact CH2-CG 4.19Å; W305-L311 HydrophobicContact CZ2-CD1 3.86Å; W305-L311 HydrophobicContact CZ3-CB 3.53Å; W305-L311 HydrophobicContact CZ3-CD1 4.12Å; W305-L311 HydrophobicContact CZ3-CG 4.42Å; W305-L311 VanDerWaalsContact CZ3-N 3.31Å |
| 306 | T | 92.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | trans | -74.3 | 162.5 | 169.5 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | F262 R308 G309 E310 A312 Y327 | F262-T306 WeakPolarHBondContact CE1-O 3.25Å; T306-R308 PolarHBondContact O-N 2.82Å; T306-R308 PolarHBondContact OG1-N 2.83Å; T306-G309 PolarHBondContact O-N 2.99Å; T306-G309 PolarHBondContact OG1-N 2.7Å; T306-E310 HydrophobicContact CG2-CB 4.08Å; T306-E310 PolarHBondContact N-O 2.94Å; T306-E310 WeakPolarHBondContact OG1-CB 3.49Å; T306-E310 PolarHBondContact OG1-N 3.3Å; T306-E310 PolarHBondContact OG1-OE2 2.96Å; T306-A312 HydrophobicContact CG2-CB 3.86Å; T306-Y327 HydrophobicContact CG2-CD2 4.4Å | ||
| 307 | P | 89.7 | Confident | 93.6 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 31% | 0.312 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -30.8 | 169.3 | -28.5 | 34.6 | 0 | 0 | 0 | 113.8 | Q241 F262 P263 G309 | Q241-P307 PolarHBondContact NE2-O 3.46Å; F262-P307 HydrophobicContact CD2-CB 3.9Å; F262-P307 HydrophobicContact CD2-CG 3.76Å; F262-P307 HydrophobicContact CE2-CB 4.12Å; F262-P307 HydrophobicContact CE2-CG 3.62Å; F262-P307 HydrophobicContact CG-CB 4.14Å; F262-P307 HydrophobicContact CG-CG 4.48Å; F262-P307 HydrophobicContact CZ-CG 4.24Å; P263-P307 WeakPolarHBondContact CD-O 3.47Å; P307-G309 VanDerWaalsContact C-N 3.29Å; P307-G309 PolarHBondContact O-N 2.85Å |
| 308 | R | 89.7 | Confident | 93.7 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 25% | 0.249 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 8.8 | 178.5 | -52.1 | -173.1 | -55.7 | 179.9 | 3.8 | 113.4 | T306 E310 D328 D329 R332 | T306-R308 PolarHBondContact O-N 2.82Å; T306-R308 PolarHBondContact OG1-N 2.83Å; R308-E310 HydrophobicContact CB-CG 4.39Å; R308-E310 IonicContact CZ-OE1 3.72Å; R308-E310 IonicContact CZ-OE2 3.18Å; R308-E310 VanDerWaalsContact CZ-OE2 3.26Å; R308-E310 IonicContact NE-OE1 3.72Å; R308-E310 IonicContact NE-OE2 2.78Å; R308-E310 PolarHBondContact NE-OE2 3.28Å; R308-E310 VanDerWaalsContact NH2-CD 3.28Å; R308-E310 IonicContact NH2-OE1 2.7Å; R308-E310 PolarHBondContact NH2-OE1 3.13Å; R308-E310 IonicContact NH2-OE2 2.73Å; R308-E310 PolarHBondContact NH2-OE2 2.6Å; R308-D328 VanDerWaalsContact CZ-O 3.28Å; R308-D328 PolarHBondContact NH1-O 2.87Å; R308-D328 PolarHBondContact NH2-O 2.67Å; R308-D329 VanDerWaalsContact NH1-CA 3.32Å; R308-D329 PolarHBondContact NH1-O 3.14Å; R308-R332 VanDerWaalsContact O-CZ 3.29Å; R308-R332 PolarHBondContact O-NE 3.08Å; R308-R332 PolarHBondContact O-NH2 3.42Å |
| 309 | G | 90.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 67.3 | 34.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R279 T306 P307 | R279-G309 VanDerWaalsContact CZ-O 3.28Å; R279-G309 PolarHBondContact NE-O 2.84Å; R279-G309 PolarHBondContact NH2-O 3.09Å; T306-G309 PolarHBondContact O-N 2.99Å; T306-G309 PolarHBondContact OG1-N 2.7Å; P307-G309 VanDerWaalsContact C-N 3.29Å; P307-G309 PolarHBondContact O-N 2.85Å |
| 310 | E | 94.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | trans | -102.8 | 148.3 | 174.6 | -55.9 | 158.5 | 130.6 | 0 | 0 | 109.3 | P83 W305 T306 R308 A312 Y327 R332 G333 | P83-E310 HydrophobicContact CG-CG 4.13Å; W305-E310 CarbonylContact C-O 3.56Å; W305-E310 WeakPolarHBondContact CA-O 3.16Å; W305-E310 VanDerWaalsContact CE3-C 3.45Å; T306-E310 HydrophobicContact CG2-CB 4.08Å; T306-E310 PolarHBondContact N-O 2.94Å; T306-E310 WeakPolarHBondContact OG1-CB 3.49Å; T306-E310 PolarHBondContact OG1-N 3.3Å; T306-E310 PolarHBondContact OG1-OE2 2.96Å; R308-E310 HydrophobicContact CB-CG 4.39Å; R308-E310 IonicContact CZ-OE1 3.72Å; R308-E310 IonicContact CZ-OE2 3.18Å; R308-E310 VanDerWaalsContact CZ-OE2 3.26Å; R308-E310 IonicContact NE-OE1 3.72Å; R308-E310 IonicContact NE-OE2 2.78Å; R308-E310 PolarHBondContact NE-OE2 3.28Å; R308-E310 VanDerWaalsContact NH2-CD 3.28Å; R308-E310 IonicContact NH2-OE1 2.7Å; R308-E310 PolarHBondContact NH2-OE1 3.13Å; R308-E310 IonicContact NH2-OE2 2.73Å; R308-E310 PolarHBondContact NH2-OE2 2.6Å; E310-A312 PolarHBondContact O-N 3.19Å; E310-Y327 HydrophobicContact CB-CD1 4.26Å; E310-Y327 HydrophobicContact CB-CD2 3.64Å; E310-Y327 HydrophobicContact CB-CE1 4.2Å; E310-Y327 HydrophobicContact CB-CE2 3.58Å; E310-Y327 HydrophobicContact CB-CG 4Å; E310-Y327 HydrophobicContact CG-CD1 4.46Å; E310-Y327 HydrophobicContact CG-CD2 4.34Å; E310-Y327 HydrophobicContact CG-CG 4.26Å; E310-Y327 WeakPolarHBondContact OE1-CB 3.49Å; E310-R332 HydrophobicContact CG-CG 4.48Å; E310-G333 PolarHBondContact OE1-N 3.13Å | ||
| 311 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 106.9 | -176.2 | 175.7 | 61.2 | 0 | 0 | 0 | 109.8 | W85 Y303 W305 A313 V314 F325 Y327 | W85-L311 HydrophobicContact CD2-CD2 4.09Å; W85-L311 HydrophobicContact CH2-CD2 4.46Å; W85-L311 HydrophobicContact CZ2-CD2 3.97Å; Y303-L311 HydrophobicContact CD1-CD1 3.7Å; Y303-L311 HydrophobicContact CG-CD1 4.22Å; W305-L311 HydrophobicContact CE3-CB 4.33Å; W305-L311 HydrophobicContact CH2-CB 3.73Å; W305-L311 HydrophobicContact CH2-CD1 3.61Å; W305-L311 HydrophobicContact CH2-CG 4.19Å; W305-L311 HydrophobicContact CZ2-CD1 3.86Å; W305-L311 HydrophobicContact CZ3-CB 3.53Å; W305-L311 HydrophobicContact CZ3-CD1 4.12Å; W305-L311 HydrophobicContact CZ3-CG 4.42Å; W305-L311 VanDerWaalsContact CZ3-N 3.31Å; L311-A313 WeakPolarHBondContact CD1-O 3.15Å; L311-V314 HydrophobicContact CD1-CG2 4.45Å; L311-V314 HydrophobicContact CD2-CG2 4.24Å; L311-F325 HydrophobicContact CD2-CD2 4.27Å; L311-F325 HydrophobicContact CD2-CE2 3.87Å; L311-F325 HydrophobicContact CG-CD2 4.02Å; L311-F325 HydrophobicContact CG-CE2 4.06Å; L311-F325 WeakPolarHBondContact O-CB 3.46Å; L311-F325 WeakPolarHBondContact O-CD2 3.33Å; L311-Y327 PolarHBondContact N-OH 2.73Å; L311-Y327 WeakPolarHBondContact O-CE2 3.38Å; L311-Y327 PolarHBondContact O-OH 2.93Å |
| 312 | A | 95.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -38.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G304 T306 E310 S324 F325 | G304-A312 PolarHBondContact O-N 2.87Å; T306-A312 HydrophobicContact CG2-CB 3.86Å; E310-A312 PolarHBondContact O-N 3.19Å; A312-S324 CarbonylContact O-C 3.52Å; A312-S324 WeakPolarHBondContact O-CA 3.22Å; A312-S324 WeakPolarHBondContact O-CB 3.41Å; A312-F325 PolarHBondContact O-N 3.24Å |
| 313 | A | 96.5 | Very high | 93 | Very high | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 154.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y303 G304 L311 Y315 Q321 R323 | Y303-A313 WeakPolarHBondContact CA-O 3.48Å; G304-A313 PolarHBondContact N-O 2.9Å; G304-A313 PolarHBondContact O-N 2.86Å; L311-A313 WeakPolarHBondContact CD1-O 3.15Å; A313-Y315 HydrophobicContact CB-CE2 3.74Å; A313-Q321 HydrophobicContact CB-CG 4.18Å; A313-R323 VanDerWaalsContact CA-O 3.28Å; A313-R323 WeakPolarHBondContact CA-O 3.02Å |
| 314 | V | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.3 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | V301 Y303 L311 Q321 V322 R323 F325 | V301-V314 HydrophobicContact CG2-CG1 3.89Å; Y303-V314 HydrophobicContact CD1-CB 4.43Å; Y303-V314 HydrophobicContact CD1-CG1 4.25Å; Y303-V314 HydrophobicContact CD1-CG2 3.97Å; Y303-V314 HydrophobicContact CE1-CB 4.4Å; Y303-V314 HydrophobicContact CE1-CG1 3.83Å; Y303-V314 HydrophobicContact CE1-CG2 3.97Å; L311-V314 HydrophobicContact CD1-CG2 4.45Å; L311-V314 HydrophobicContact CD2-CG2 4.24Å; V314-Q321 CarbonylContact O-C 3.44Å; V314-Q321 WeakPolarHBondContact O-CA 3.43Å; V314-V322 HydrophobicContact CB-CG2 4.06Å; V314-V322 HydrophobicContact CG1-CG2 3.92Å; V314-V322 WeakPolarHBondContact O-CG2 3.41Å; V314-V322 PolarHBondContact O-N 3.13Å; V314-R323 HydrophobicContact CB-CB 4.21Å; V314-R323 HydrophobicContact CG2-CB 4.24Å; V314-R323 PolarHBondContact N-O 2.72Å; V314-R323 PolarHBondContact O-N 2.99Å; V314-F325 HydrophobicContact CG2-CE2 4.03Å |
| 315 | Y | 95.2 | Very high | 93 | Very high | 62 Ų | 62 | 30.6 Ų | 30.6 | 24% | 0.243 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.2 | 178.7 | -53.9 | -100.6 | 0 | 0 | 0 | 109.9 | V301 R302 A313 T320 Q321 | V301-Y315 WeakPolarHBondContact CA-O 3.41Å; V301-Y315 WeakPolarHBondContact CG2-O 3.19Å; R302-Y315 HydrophobicContact CB-CD2 4.32Å; R302-Y315 PolarHBondContact N-O 2.8Å; R302-Y315 PolarHBondContact O-N 2.86Å; A313-Y315 HydrophobicContact CB-CE2 3.74Å; Y315-T320 CarbonylContact C-O 3.57Å; Y315-T320 VanDerWaalsContact CA-O 3.24Å; Y315-T320 WeakPolarHBondContact CA-O 3.49Å; Y315-Q321 HydrophobicContact CD1-CB 3.77Å; Y315-Q321 HydrophobicContact CD1-CG 4.35Å; Y315-Q321 HydrophobicContact CE1-CB 3.64Å; Y315-Q321 HydrophobicContact CE1-CG 4.03Å |
| 316 | D | 91.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | trans | -71.9 | -179.9 | 176.8 | 62.7 | 29.5 | 0 | 0 | 0 | 112.8 | S318 N319 T320 V322 R567 | D316-S318 PolarHBondContact O-N 3.27Å; D316-S318 VanDerWaalsContact O-N 3.12Å; D316-S318 WeakPolarHBondContact OD1-CA 3.44Å; D316-S318 PolarHBondContact OD1-N 3.12Å; D316-S318 PolarHBondContact OD1-OG 2.82Å; D316-S318 VanDerWaalsContact OD1-OG 3.08Å; D316-N319 WeakPolarHBondContact O-CA 3.38Å; D316-N319 PolarHBondContact O-N 3.05Å; D316-N319 PolarHBondContact OD1-N 3.22Å; D316-T320 PolarHBondContact N-O 3.17Å; D316-T320 WeakPolarHBondContact OD1-CB 3.42Å; D316-T320 PolarHBondContact OD1-N 2.84Å; D316-V322 HydrophobicContact CB-CG1 3.9Å; D316-V322 WeakPolarHBondContact OD2-CG1 3.48Å; D316-R567 IonicContact OD2-CZ 2.81Å; D316-R567 VanDerWaalsContact OD2-CZ 3.27Å; D316-R567 IonicContact OD2-NE 3.57Å; D316-R567 PolarHBondContact OD2-NE 2.89Å; D316-R567 IonicContact OD2-NH2 3.36Å; D316-R567 PolarHBondContact OD2-NH2 3.43Å | ||
| 317 | R | 90.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.2 | -179.7 | 84.7 | -168.6 | -171.7 | -176.5 | 2.5 | 114.3 | L300 N319 F546 D565 S566 G568 | L300-R317 WeakPolarHBondContact O-CA 3.24Å; L300-R317 WeakPolarHBondContact O-CB 3.36Å; L300-R317 PolarHBondContact O-N 2.91Å; R317-N319 VanDerWaalsContact C-N 3.33Å; R317-F546 VanDerWaalsContact NH1-CG 3.28Å; R317-D565 PolarHBondContact NH2-O 2.87Å; R317-S566 WeakPolarHBondContact CD-O 3.36Å; R317-S566 WeakPolarHBondContact CG-O 3.26Å; R317-S566 PolarHBondContact NE-O 2.99Å; R317-G568 VanDerWaalsContact NH2-N 3.18Å |
| 318 | S | 89.7 | Confident | 93.3 | Very high | 34 Ų | 34 | 30.9 Ų | 30.9 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 7.5 | 170.6 | 96.8 | 0 | 0 | 0 | 0 | 112.8 | D316 T320 S566 R567 | D316-S318 PolarHBondContact O-N 3.27Å; D316-S318 VanDerWaalsContact O-N 3.12Å; D316-S318 WeakPolarHBondContact OD1-CA 3.44Å; D316-S318 PolarHBondContact OD1-N 3.12Å; D316-S318 PolarHBondContact OD1-OG 2.82Å; D316-S318 VanDerWaalsContact OD1-OG 3.08Å; S318-T320 PolarHBondContact O-N 2.96Å; S318-T320 WeakPolarHBondContact OG-CB 3.5Å; S318-T320 PolarHBondContact OG-OG1 2.76Å; S318-S566 WeakPolarHBondContact CB-OG 3.33Å; S318-R567 WeakPolarHBondContact OG-CG 3.23Å |
| 319 | N | 90.5 | Very high | 93.2 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 61.3 | 21.1 | -171.2 | -165.4 | 85 | 0 | 0 | 0 | 113.3 | R302 D316 R317 | R302-N319 VanDerWaalsContact CD-OD1 3.26Å; R302-N319 WeakPolarHBondContact CD-OD1 3.42Å; R302-N319 PolarHBondContact NH1-OD1 2.68Å; D316-N319 WeakPolarHBondContact O-CA 3.38Å; D316-N319 PolarHBondContact O-N 3.05Å; D316-N319 PolarHBondContact OD1-N 3.22Å; R317-N319 VanDerWaalsContact C-N 3.33Å |
| 320 | T | 90.3 | Very high | 93 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | trans | -84.8 | 128.8 | 172.7 | -64.7 | 0 | 0 | 0 | 0 | 108.6 | Y315 D316 S318 V322 | Y315-T320 CarbonylContact C-O 3.57Å; Y315-T320 VanDerWaalsContact CA-O 3.24Å; Y315-T320 WeakPolarHBondContact CA-O 3.49Å; D316-T320 PolarHBondContact N-O 3.17Å; D316-T320 WeakPolarHBondContact OD1-CB 3.42Å; D316-T320 PolarHBondContact OD1-N 2.84Å; S318-T320 PolarHBondContact O-N 2.96Å; S318-T320 WeakPolarHBondContact OG-CB 3.5Å; S318-T320 PolarHBondContact OG-OG1 2.76Å; T320-V322 PolarHBondContact O-N 3.45Å | ||
| 321 | Q | 93.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 132.6 | 172.9 | -168.3 | -179.5 | -62.1 | 0 | 0 | 108.5 | A313 V314 Y315 R323 T341 | A313-Q321 HydrophobicContact CB-CG 4.18Å; V314-Q321 CarbonylContact O-C 3.44Å; V314-Q321 WeakPolarHBondContact O-CA 3.43Å; Y315-Q321 HydrophobicContact CD1-CB 3.77Å; Y315-Q321 HydrophobicContact CD1-CG 4.35Å; Y315-Q321 HydrophobicContact CE1-CB 3.64Å; Y315-Q321 HydrophobicContact CE1-CG 4.03Å; Q321-R323 WeakPolarHBondContact CG-O 3.43Å; Q321-T341 VanDerWaalsContact O-CB 3.28Å; Q321-T341 WeakPolarHBondContact O-CB 3.38Å; Q321-T341 WeakPolarHBondContact O-CG2 3.39Å; Q321-T341 PolarHBondContact O-OG1 3.09Å |
| 322 | V | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -29.7 | 176.6 | -72.8 | 0 | 0 | 0 | 0 | 112.8 | V314 D316 T320 T341 | V314-V322 HydrophobicContact CB-CG2 4.06Å; V314-V322 HydrophobicContact CG1-CG2 3.92Å; V314-V322 WeakPolarHBondContact O-CG2 3.41Å; V314-V322 PolarHBondContact O-N 3.13Å; D316-V322 HydrophobicContact CB-CG1 3.9Å; D316-V322 WeakPolarHBondContact OD2-CG1 3.48Å; T320-V322 PolarHBondContact O-N 3.45Å; V322-T341 WeakPolarHBondContact CA-OG1 3.42Å; V322-T341 PolarHBondContact O-N 3.37Å; V322-T341 PolarHBondContact O-OG1 3.21Å |
| 323 | R | 93.7 | Very high | 92 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.6 | 179.1 | -58 | -61.2 | -75.4 | -87.9 | 1 | 111.9 | E50 A313 V314 Q321 F325 H338 R339 H340 | E50-R323 IonicContact OE1-CZ 3.3Å; E50-R323 IonicContact OE1-NH1 3.12Å; E50-R323 PolarHBondContact OE1-NH1 2.75Å; E50-R323 IonicContact OE1-NH2 3.35Å; E50-R323 PolarHBondContact OE1-NH2 3.02Å; E50-R323 IonicContact OE2-CZ 3.6Å; E50-R323 IonicContact OE2-NH1 2.7Å; E50-R323 PolarHBondContact OE2-NH1 3.19Å; E50-R323 VanDerWaalsContact OE2-NH1 3.11Å; E50-R323 IonicContact OE2-NH2 2.97Å; A313-R323 VanDerWaalsContact CA-O 3.28Å; A313-R323 WeakPolarHBondContact CA-O 3.02Å; V314-R323 HydrophobicContact CB-CB 4.21Å; V314-R323 HydrophobicContact CG2-CB 4.24Å; V314-R323 PolarHBondContact N-O 2.72Å; V314-R323 PolarHBondContact O-N 2.99Å; Q321-R323 WeakPolarHBondContact CG-O 3.43Å; R323-F325 HydrophobicContact CB-CE1 4.48Å; R323-F325 HydrophobicContact CB-CE2 4.01Å; R323-F325 HydrophobicContact CB-CZ 3.72Å; R323-F325 HydrophobicContact CG-CZ 4.36Å; R323-H338 PolarHBondContact NH2-CD2 2.88Å; R323-H338 VanDerWaalsContact NH2-CD2 3.33Å; R323-R339 WeakPolarHBondContact CA-O 3.48Å; R323-H340 PolarHBondContact NE-CE1 3.29Å; R323-H340 PolarHBondContact NE-NE2 2.95Å; R323-H340 PolarHBondContact NH1-CE1 3.47Å; R323-H340 PolarHBondContact NH2-NE2 3.09Å; R323-H340 VanDerWaalsContact NH2-NE2 3.11Å |
| 324 | S | 95.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 151.4 | 164.4 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | A312 H338 R339 | A312-S324 CarbonylContact O-C 3.52Å; A312-S324 WeakPolarHBondContact O-CA 3.22Å; A312-S324 WeakPolarHBondContact O-CB 3.41Å; S324-H338 CarbonylContact O-C 3.59Å; S324-H338 WeakPolarHBondContact O-CA 3.3Å; S324-R339 PolarHBondContact N-O 3.07Å; S324-R339 PolarHBondContact O-N 3.34Å; S324-R339 PolarHBondContact OG-NE 3.15Å; S324-R339 VanDerWaalsContact OG-NE 3.08Å; S324-R339 PolarHBondContact OG-NH2 2.84Å |
| 325 | F | 95.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.6 | -175.3 | -46.1 | -81.4 | 0 | 0 | 0 | 112.1 | L47 W85 L311 A312 V314 R323 Y327 M335 H338 | L47-F325 HydrophobicContact CD1-CE1 4.22Å; W85-F325 HydrophobicContact CH2-CD1 4.2Å; W85-F325 AromaticContact CH2-CE1 3.61Å; W85-F325 HydrophobicContact CH2-CE1 3.61Å; W85-F325 HydrophobicContact CH2-CE2 4.02Å; W85-F325 AromaticContact CH2-CZ 3.5Å; W85-F325 HydrophobicContact CH2-CZ 3.5Å; W85-F325 VanDerWaalsContact CH2-CZ 3.5Å; W85-F325 AromaticContact CZ2-CD1 3.82Å; W85-F325 HydrophobicContact CZ2-CD1 3.82Å; W85-F325 AromaticContact CZ2-CD2 3.91Å; W85-F325 HydrophobicContact CZ2-CD2 3.91Å; W85-F325 AromaticContact CZ2-CE1 3.69Å; W85-F325 HydrophobicContact CZ2-CE1 3.69Å; W85-F325 AromaticContact CZ2-CE2 3.76Å; W85-F325 HydrophobicContact CZ2-CE2 3.76Å; W85-F325 AromaticContact CZ2-CG 3.94Å; W85-F325 HydrophobicContact CZ2-CG 3.94Å; W85-F325 AromaticContact CZ2-CZ 3.66Å; W85-F325 HydrophobicContact CZ2-CZ 3.66Å; L311-F325 HydrophobicContact CD2-CD2 4.27Å; L311-F325 HydrophobicContact CD2-CE2 3.87Å; L311-F325 HydrophobicContact CG-CD2 4.02Å; L311-F325 HydrophobicContact CG-CE2 4.06Å; L311-F325 WeakPolarHBondContact O-CB 3.46Å; L311-F325 WeakPolarHBondContact O-CD2 3.33Å; A312-F325 PolarHBondContact O-N 3.24Å; V314-F325 HydrophobicContact CG2-CE2 4.03Å; R323-F325 HydrophobicContact CB-CE1 4.48Å; R323-F325 HydrophobicContact CB-CE2 4.01Å; R323-F325 HydrophobicContact CB-CZ 3.72Å; R323-F325 HydrophobicContact CG-CZ 4.36Å; F325-Y327 HydrophobicContact CB-CE2 3.86Å; F325-M335 HydrophobicContact CB-CE 4.09Å; F325-M335 HydrophobicContact CB-SD 4.49Å; F325-M335 HydrophobicContact CD1-CE 3.44Å; F325-M335 VanDerWaalsContact CD1-CE 3.44Å; F325-M335 HydrophobicContact CD1-SD 3.8Å; F325-M335 HydrophobicContact CE1-CE 4.13Å; F325-M335 HydrophobicContact CG-CE 3.94Å; F325-H338 HydrophobicContact CD1-CB 3.62Å; F325-H338 HydrophobicContact CE1-CB 4.09Å |
| 326 | T | 96 | Very high | 91.7 | Very high | 61 Ų | 61 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.7 | -179.1 | -48.8 | 0 | 0 | 0 | 0 | 109 | M335 V336 A337 E345 | T326-M335 CarbonylContact O-C 3.49Å; T326-M335 WeakPolarHBondContact O-CA 3.47Å; T326-V336 HydrophobicContact CG2-CG2 4.05Å; T326-V336 PolarHBondContact O-N 2.92Å; T326-A337 PolarHBondContact N-O 2.83Å; T326-A337 PolarHBondContact O-N 3.22Å; T326-E345 PolarHBondContact OG1-OE2 3.34Å |
| 327 | Y | 94.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 159 | -170.8 | -59.7 | -92.6 | 0 | 0 | 0 | 112.6 | W85 T306 E310 L311 F325 R334 M335 | W85-Y327 AromaticContact NE1-CZ 3.97Å; W85-Y327 PolarHBondContact NE1-OH 3.16Å; T306-Y327 HydrophobicContact CG2-CD2 4.4Å; E310-Y327 HydrophobicContact CB-CD1 4.26Å; E310-Y327 HydrophobicContact CB-CD2 3.64Å; E310-Y327 HydrophobicContact CB-CE1 4.2Å; E310-Y327 HydrophobicContact CB-CE2 3.58Å; E310-Y327 HydrophobicContact CB-CG 4Å; E310-Y327 HydrophobicContact CG-CD1 4.46Å; E310-Y327 HydrophobicContact CG-CD2 4.34Å; E310-Y327 HydrophobicContact CG-CG 4.26Å; E310-Y327 WeakPolarHBondContact OE1-CB 3.49Å; L311-Y327 PolarHBondContact N-OH 2.73Å; L311-Y327 WeakPolarHBondContact O-CE2 3.38Å; L311-Y327 PolarHBondContact O-OH 2.93Å; F325-Y327 HydrophobicContact CB-CE2 3.86Å; Y327-R334 CarbonylContact C-O 3.59Å; Y327-R334 VanDerWaalsContact CA-O 3.27Å; Y327-R334 WeakPolarHBondContact CA-O 3.22Å; Y327-M335 HydrophobicContact CD1-CB 4.27Å; Y327-M335 HydrophobicContact CE1-CB 4.22Å |
| 328 | D | 92.6 | Very high | 92 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | trans | -65 | 135.8 | 179.1 | -169.4 | -67 | 0 | 0 | 0 | 111.3 | R308 K330 Y331 R334 V336 | R308-D328 VanDerWaalsContact CZ-O 3.28Å; R308-D328 PolarHBondContact NH1-O 2.87Å; R308-D328 PolarHBondContact NH2-O 2.67Å; D328-K330 VanDerWaalsContact C-N 3.31Å; D328-K330 PolarHBondContact O-N 2.93Å; D328-K330 WeakPolarHBondContact OD1-CA 3.45Å; D328-K330 WeakPolarHBondContact OD1-CB 3.5Å; D328-K330 PolarHBondContact OD1-N 3.45Å; D328-Y331 WeakPolarHBondContact OD1-CD2 3.4Å; D328-Y331 PolarHBondContact OD1-N 3.18Å; D328-R334 HydrophobicContact CB-CB 3.96Å; D328-R334 HydrophobicContact CB-CG 4.43Å; D328-R334 PolarHBondContact N-O 3.17Å; D328-V336 HydrophobicContact CB-CG1 3.72Å | ||
| 329 | D | 86.6 | Confident | 92.1 | Very high | 154 Ų | 154 | 44.1 Ų | 44.1 | 82% | 0.824 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -67.9 | -30.1 | -179.3 | -75.4 | -36.5 | 0 | 0 | 0 | 113.2 | R308 | R308-D329 VanDerWaalsContact NH1-CA 3.32Å; R308-D329 PolarHBondContact NH1-O 3.14Å |
| 330 | K | 86.7 | Confident | 92.1 | Very high | 157 Ų | 157 | 43.6 Ų | 43.6 | 68% | 0.683 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -95 | -39.5 | -177.6 | -176.3 | -177.9 | 177.9 | -164.9 | 0 | 112.4 | D328 | D328-K330 VanDerWaalsContact C-N 3.31Å; D328-K330 PolarHBondContact O-N 2.93Å; D328-K330 WeakPolarHBondContact OD1-CA 3.45Å; D328-K330 WeakPolarHBondContact OD1-CB 3.5Å; D328-K330 PolarHBondContact OD1-N 3.45Å |
| 331 | Y | 87.3 | Confident | 92 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -110.6 | 81.9 | -172.2 | -57.4 | -71.6 | 0 | 0 | 0 | 112.1 | D328 G333 R334 | D328-Y331 WeakPolarHBondContact OD1-CD2 3.4Å; D328-Y331 PolarHBondContact OD1-N 3.18Å; Y331-G333 PolarHBondContact O-N 2.92Å; Y331-R334 VanDerWaalsContact CG-CZ 3.42Å; Y331-R334 VanDerWaalsContact CG-NH2 3.31Å; Y331-R334 WeakPolarHBondContact O-CB 3.48Å; Y331-R334 PolarHBondContact O-N 3.11Å |
| 332 | R | 88.3 | Confident | 91.7 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 123.8 | -177.5 | -169.8 | 170.8 | 173.2 | -120 | -14.7 | 113 | L266 P267 T270 D275 R308 E310 | L266-R332 VanDerWaalsContact CD1-NH2 3.32Å; P267-R332 PolarHBondContact O-NH1 2.84Å; P267-R332 VanDerWaalsContact O-NH1 3.08Å; T270-R332 HydrophobicContact CG2-CG 4.38Å; D275-R332 IonicContact OD2-CZ 3.12Å; D275-R332 IonicContact OD2-NH1 2.7Å; D275-R332 PolarHBondContact OD2-NH1 2.89Å; D275-R332 IonicContact OD2-NH2 3.34Å; D275-R332 PolarHBondContact OD2-NH2 2.72Å; R308-R332 VanDerWaalsContact O-CZ 3.29Å; R308-R332 PolarHBondContact O-NE 3.08Å; R308-R332 PolarHBondContact O-NH2 3.42Å; E310-R332 HydrophobicContact CG-CG 4.48Å |
| 333 | G | 89.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -10.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | Y67 Y272 E310 Y331 M335 | Y67-G333 WeakPolarHBondContact CE2-O 3.28Å; Y67-G333 PolarHBondContact OH-O 2.99Å; Y272-G333 VanDerWaalsContact CE2-C 3.43Å; E310-G333 PolarHBondContact OE1-N 3.13Å; Y331-G333 PolarHBondContact O-N 2.92Å; G333-M335 PolarHBondContact O-N 3.02Å |
| 334 | R | 92.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | trans | -78 | 114.5 | 173.2 | -170.6 | -176.6 | -58.8 | -163.8 | 2.3 | 109.6 | Y67 E271 Y272 Y327 D328 Y331 V336 Y350 | Y67-R334 WeakPolarHBondContact OH-CA 3.42Å; E271-R334 IonicContact OE1-NH2 3.19Å; E271-R334 IonicContact OE2-CZ 3.91Å; E271-R334 IonicContact OE2-NE 3.71Å; E271-R334 IonicContact OE2-NH2 2.78Å; E271-R334 PolarHBondContact OE2-NH2 3.46Å; Y272-R334 WeakPolarHBondContact OH-CA 3.07Å; Y327-R334 CarbonylContact C-O 3.59Å; Y327-R334 VanDerWaalsContact CA-O 3.27Å; Y327-R334 WeakPolarHBondContact CA-O 3.22Å; D328-R334 HydrophobicContact CB-CB 3.96Å; D328-R334 HydrophobicContact CB-CG 4.43Å; D328-R334 PolarHBondContact N-O 3.17Å; Y331-R334 VanDerWaalsContact CG-CZ 3.42Å; Y331-R334 VanDerWaalsContact CG-NH2 3.31Å; Y331-R334 WeakPolarHBondContact O-CB 3.48Å; Y331-R334 PolarHBondContact O-N 3.11Å; R334-V336 PolarHBondContact O-N 2.93Å; R334-Y350 HydrophobicContact CG-CD1 4.45Å; R334-Y350 HydrophobicContact CG-CD2 4.03Å; R334-Y350 HydrophobicContact CG-CE1 4.16Å; R334-Y350 HydrophobicContact CG-CE2 3.73Å; R334-Y350 HydrophobicContact CG-CG 4.39Å | ||
| 335 | M | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120 | -177.2 | -175 | -173.5 | -61.1 | 0 | 0 | 110.2 | K45 Y67 W85 F325 T326 Y327 G333 A337 H338 Y350 | K45-M335 WeakPolarHBondContact CE-SD 3.37Å; K45-M335 PolarHBondContact NZ-SD 2.94Å; Y67-M335 HydrophobicContact CD1-CE 4.17Å; Y67-M335 HydrophobicContact CD2-CE 3.74Å; Y67-M335 HydrophobicContact CE1-CB 3.89Å; Y67-M335 HydrophobicContact CE1-CE 4.35Å; Y67-M335 HydrophobicContact CE2-CB 4.09Å; Y67-M335 HydrophobicContact CE2-CE 3.96Å; Y67-M335 HydrophobicContact CG-CE 3.86Å; Y67-M335 WeakPolarHBondContact OH-CB 3.5Å; Y67-M335 PolarHBondContact OH-N 2.99Å; W85-M335 HydrophobicContact CH2-CE 4.01Å; W85-M335 HydrophobicContact CZ2-CE 3.33Å; F325-M335 HydrophobicContact CB-CE 4.09Å; F325-M335 HydrophobicContact CB-SD 4.49Å; F325-M335 HydrophobicContact CD1-CE 3.44Å; F325-M335 VanDerWaalsContact CD1-CE 3.44Å; F325-M335 HydrophobicContact CD1-SD 3.8Å; F325-M335 HydrophobicContact CE1-CE 4.13Å; F325-M335 HydrophobicContact CG-CE 3.94Å; T326-M335 CarbonylContact O-C 3.49Å; T326-M335 WeakPolarHBondContact O-CA 3.47Å; Y327-M335 HydrophobicContact CD1-CB 4.27Å; Y327-M335 HydrophobicContact CE1-CB 4.22Å; G333-M335 PolarHBondContact O-N 3.02Å; M335-A337 VanDerWaalsContact CG-O 3.23Å; M335-A337 WeakPolarHBondContact CG-O 3.43Å; M335-H338 HydrophobicContact SD-CB 3.81Å; M335-Y350 VanDerWaalsContact O-CE2 3.32Å; M335-Y350 WeakPolarHBondContact O-CE2 3.14Å; M335-Y350 PolarHBondContact O-OH 2.87Å |
| 336 | V | 95.9 | Very high | 91.1 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -14.6 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | T326 D328 R334 R347 Y348 Y350 | T326-V336 HydrophobicContact CG2-CG2 4.05Å; T326-V336 PolarHBondContact O-N 2.92Å; D328-V336 HydrophobicContact CB-CG1 3.72Å; R334-V336 PolarHBondContact O-N 2.93Å; V336-R347 CarbonylContact O-C 3.5Å; V336-R347 VanDerWaalsContact O-CA 3.27Å; V336-R347 WeakPolarHBondContact O-CA 3.26Å; V336-Y348 PolarHBondContact O-N 3.3Å; V336-Y350 HydrophobicContact CG1-CE2 4.37Å |
| 337 | A | 95.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 158.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T326 M335 E345 I346 R347 | T326-A337 PolarHBondContact N-O 2.83Å; T326-A337 PolarHBondContact O-N 3.22Å; M335-A337 VanDerWaalsContact CG-O 3.23Å; M335-A337 WeakPolarHBondContact CG-O 3.43Å; A337-E345 VanDerWaalsContact CB-CD 3.48Å; A337-E345 HydrophobicContact CB-CG 3.57Å; A337-E345 WeakPolarHBondContact CB-OE2 3.48Å; A337-I346 CarbonylContact C-O 3.58Å; A337-I346 WeakPolarHBondContact CA-O 3.37Å; A337-I346 WeakPolarHBondContact CB-O 3.36Å; A337-R347 HydrophobicContact CB-CB 4.49Å; A337-R347 HydrophobicContact CB-CG 3.87Å |
| 338 | H | 93.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 159.4 | 167.3 | 82.8 | -77.3 | 0 | 0 | 0 | 111.9 | R323 S324 F325 M335 E345 I346 Y348 | R323-H338 PolarHBondContact NH2-CD2 2.88Å; R323-H338 VanDerWaalsContact NH2-CD2 3.33Å; S324-H338 CarbonylContact O-C 3.59Å; S324-H338 WeakPolarHBondContact O-CA 3.3Å; F325-H338 HydrophobicContact CD1-CB 3.62Å; F325-H338 HydrophobicContact CE1-CB 4.09Å; M335-H338 HydrophobicContact SD-CB 3.81Å; H338-E345 WeakPolarHBondContact O-CA 3.35Å; H338-I346 PolarHBondContact N-O 2.85Å; H338-I346 PolarHBondContact O-N 3.05Å; H338-Y348 PolarHBondContact CE1-OH 2.76Å; H338-Y348 AromaticContact ND1-CE2 3.78Å; H338-Y348 AromaticContact ND1-CZ 3.83Å; H338-Y348 PolarHBondContact ND1-OH 2.82Å |
| 339 | R | 92 | Very high | 91.3 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 141.8 | -177.1 | 175.3 | 177.3 | 60.1 | -170.2 | -8.2 | 111.2 | R323 S324 R343 E345 | R323-R339 WeakPolarHBondContact CA-O 3.48Å; S324-R339 PolarHBondContact N-O 3.07Å; S324-R339 PolarHBondContact O-N 3.34Å; S324-R339 PolarHBondContact OG-NE 3.15Å; S324-R339 VanDerWaalsContact OG-NE 3.08Å; S324-R339 PolarHBondContact OG-NH2 2.84Å; R339-R343 WeakPolarHBondContact CD-O 3.29Å; R339-R343 VanDerWaalsContact CG-O 3.31Å; R339-R343 WeakPolarHBondContact CG-O 3.34Å; R339-E345 HydrophobicContact CB-CB 4.28Å |
| 340 | H | 88.9 | Confident | 91.7 | Very high | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 149.3 | 164.9 | -66.3 | -117 | 0 | 0 | 0 | 109.9 | R323 G342 R343 | R323-H340 PolarHBondContact NE-CE1 3.29Å; R323-H340 PolarHBondContact NE-NE2 2.95Å; R323-H340 PolarHBondContact NH1-CE1 3.47Å; R323-H340 PolarHBondContact NH2-NE2 3.09Å; R323-H340 VanDerWaalsContact NH2-NE2 3.11Å; H340-G342 PolarHBondContact O-N 2.82Å; H340-R343 HydrophobicContact CB-CB 4.06Å; H340-R343 HydrophobicContact CB-CG 4Å; H340-R343 WeakPolarHBondContact O-CB 3.49Å; H340-R343 PolarHBondContact O-N 3.46Å |
| 341 | T | 88 | Confident | 91.9 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 134.2 | 177.6 | -68 | 0 | 0 | 0 | 0 | 111.6 | Q321 V322 R343 A588 | Q321-T341 VanDerWaalsContact O-CB 3.28Å; Q321-T341 WeakPolarHBondContact O-CB 3.38Å; Q321-T341 WeakPolarHBondContact O-CG2 3.39Å; Q321-T341 PolarHBondContact O-OG1 3.09Å; V322-T341 WeakPolarHBondContact CA-OG1 3.42Å; V322-T341 PolarHBondContact O-N 3.37Å; V322-T341 PolarHBondContact O-OG1 3.21Å; T341-R343 PolarHBondContact O-N 3Å; T341-A588 WeakPolarHBondContact O-CA 3.47Å; T341-A588 VanDerWaalsContact O-CB 3.28Å; T341-A588 WeakPolarHBondContact O-CB 3.34Å |
| 342 | G | 87.4 | Confident | 92 | Very high | 56 Ų | 56 | 46 Ų | 46 | 58% | 0.577 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 6.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | H340 | H340-G342 PolarHBondContact O-N 2.82Š|
| 343 | R | 90.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -119.3 | 159.4 | 178.9 | -59.9 | -64.7 | -167.8 | -104 | -11.6 | 112.4 | R339 H340 T341 A588 D590 A608 W609 G610 | R339-R343 WeakPolarHBondContact CD-O 3.29Å; R339-R343 VanDerWaalsContact CG-O 3.31Å; R339-R343 WeakPolarHBondContact CG-O 3.34Å; H340-R343 HydrophobicContact CB-CB 4.06Å; H340-R343 HydrophobicContact CB-CG 4Å; H340-R343 WeakPolarHBondContact O-CB 3.49Å; H340-R343 PolarHBondContact O-N 3.46Å; T341-R343 PolarHBondContact O-N 3Å; R343-A588 VanDerWaalsContact NH1-CB 3.27Å; R343-D590 IonicContact CZ-OD1 2.8Å; R343-D590 IonicContact CZ-OD2 3.63Å; R343-D590 IonicContact NH1-OD1 3.41Å; R343-D590 IonicContact NH1-OD2 3.66Å; R343-D590 PolarHBondContact NH1-OD2 3.17Å; R343-D590 VanDerWaalsContact NH2-CG 3.27Å; R343-D590 IonicContact NH2-OD1 2.71Å; R343-D590 PolarHBondContact NH2-OD1 3.47Å; R343-D590 IonicContact NH2-OD2 2.73Å; R343-D590 PolarHBondContact NH2-OD2 2.94Å; R343-D590 VanDerWaalsContact NH2-OD2 3.11Å; R343-A608 WeakPolarHBondContact CD-O 3.35Å; R343-W609 PolarHBondContact NE-O 2.71Å; R343-G610 VanDerWaalsContact CZ-CA 3.49Å; R343-G610 VanDerWaalsContact NH2-CA 3.26Å |
| 344 | P | 90.8 | Very high | 91.8 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -59 | 162.8 | 170.6 | -25.7 | 35.5 | 0 | 0 | 0 | 113.9 | P362 A363 A608 | P344-P362 HydrophobicContact CB-CB 4.27Å; P344-P362 HydrophobicContact CB-CG 4.4Å; P344-A363 HydrophobicContact CG-CB 4.03Å; P344-A608 WeakPolarHBondContact CD-O 3.31Å; P344-A608 HydrophobicContact CG-CB 3.93Å |
| 345 | E | 92.5 | Very high | 91.7 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.2 | 174 | -180 | -176.8 | 64.3 | 0 | 0 | 110.8 | T326 A337 H338 R339 R347 P362 | T326-E345 PolarHBondContact OG1-OE2 3.34Å; A337-E345 VanDerWaalsContact CB-CD 3.48Å; A337-E345 HydrophobicContact CB-CG 3.57Å; A337-E345 WeakPolarHBondContact CB-OE2 3.48Å; H338-E345 WeakPolarHBondContact O-CA 3.35Å; R339-E345 HydrophobicContact CB-CB 4.28Å; E345-R347 HydrophobicContact CG-CG 4.25Å; E345-R347 IonicContact OE1-CZ 3.59Å; E345-R347 IonicContact OE1-NE 3.27Å; E345-R347 PolarHBondContact OE1-NE 2.71Å; E345-R347 IonicContact OE1-NH2 2.74Å; E345-R347 PolarHBondContact OE1-NH2 2.8Å; E345-P362 WeakPolarHBondContact O-CD 3.25Å; E345-P362 VanDerWaalsContact O-CG 3.28Å; E345-P362 WeakPolarHBondContact O-CG 3.37Å |
| 346 | I | 91.4 | Very high | 91.6 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133 | 172.1 | -68.1 | 172.2 | 0 | 0 | 0 | 108.7 | A337 H338 Y348 Q359 L360 N361 | A337-I346 CarbonylContact C-O 3.58Å; A337-I346 WeakPolarHBondContact CA-O 3.37Å; A337-I346 WeakPolarHBondContact CB-O 3.36Å; H338-I346 PolarHBondContact N-O 2.85Å; H338-I346 PolarHBondContact O-N 3.05Å; I346-Y348 HydrophobicContact CG2-CE1 4.12Å; I346-Y348 HydrophobicContact CG2-CE2 4.28Å; I346-Q359 HydrophobicContact CG2-CG 4.17Å; I346-L360 WeakPolarHBondContact CA-O 3.45Å; I346-N361 WeakPolarHBondContact CG1-OD1 3.41Å; I346-N361 WeakPolarHBondContact CG2-OD1 3.39Å |
| 347 | R | 95.5 | Very high | 91.6 | Very high | 134 Ų | 134 | 53 Ų | 53 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.2 | -175.1 | -60.7 | -179.9 | 174.6 | 172.2 | -1.6 | 112.9 | V336 A337 E345 Q359 L360 | V336-R347 CarbonylContact O-C 3.5Å; V336-R347 VanDerWaalsContact O-CA 3.27Å; V336-R347 WeakPolarHBondContact O-CA 3.26Å; A337-R347 HydrophobicContact CB-CB 4.49Å; A337-R347 HydrophobicContact CB-CG 3.87Å; E345-R347 HydrophobicContact CG-CG 4.25Å; E345-R347 IonicContact OE1-CZ 3.59Å; E345-R347 IonicContact OE1-NE 3.27Å; E345-R347 PolarHBondContact OE1-NE 2.71Å; E345-R347 IonicContact OE1-NH2 2.74Å; E345-R347 PolarHBondContact OE1-NH2 2.8Å; R347-Q359 CarbonylContact O-C 3.59Å; R347-Q359 WeakPolarHBondContact O-CA 3.34Å; R347-L360 HydrophobicContact CB-CB 4.29Å; R347-L360 PolarHBondContact N-O 3.29Å; R347-L360 PolarHBondContact O-N 2.95Å |
| 348 | Y | 95.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.5 | -179.2 | -51.2 | -77.5 | 0 | 0 | 0 | 111.7 | P37 V38 K45 V336 H338 I346 V356 E358 Q359 | P37-Y348 WeakPolarHBondContact CD-OH 3.48Å; P37-Y348 WeakPolarHBondContact CG-OH 3.36Å; V38-Y348 HydrophobicContact CG2-CD1 4.12Å; V38-Y348 HydrophobicContact CG2-CE1 3.9Å; K45-Y348 HydrophobicContact CD-CE2 4.37Å; K45-Y348 HydrophobicContact CG-CD1 4.05Å; K45-Y348 HydrophobicContact CG-CD2 3.97Å; K45-Y348 HydrophobicContact CG-CE1 3.7Å; K45-Y348 HydrophobicContact CG-CE2 3.62Å; K45-Y348 HydrophobicContact CG-CG 4.18Å; K45-Y348 VanDerWaalsContact CG-CZ 3.47Å; V336-Y348 PolarHBondContact O-N 3.3Å; H338-Y348 PolarHBondContact CE1-OH 2.76Å; H338-Y348 AromaticContact ND1-CE2 3.78Å; H338-Y348 AromaticContact ND1-CZ 3.83Å; H338-Y348 PolarHBondContact ND1-OH 2.82Å; I346-Y348 HydrophobicContact CG2-CE1 4.12Å; I346-Y348 HydrophobicContact CG2-CE2 4.28Å; Y348-V356 HydrophobicContact CD1-CG1 4.27Å; Y348-E358 CarbonylContact C-O 3.55Å; Y348-E358 VanDerWaalsContact CA-O 3.29Å; Y348-E358 WeakPolarHBondContact CA-O 3.33Å; Y348-Q359 HydrophobicContact CD1-CB 4.15Å; Y348-Q359 HydrophobicContact CD1-CG 4.15Å; Y348-Q359 HydrophobicContact CE1-CB 4.25Å; Y348-Q359 HydrophobicContact CE1-CG 3.81Å |
| 349 | R | 95.8 | Very high | 91.7 | Very high | 155 Ų | 155 | 56.4 Ų | 56.4 | 59% | 0.585 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 153.4 | 162.5 | -60.7 | -162.5 | -164.9 | -90.4 | -0.7 | 110.8 | V356 T357 E358 | R349-V356 CarbonylContact O-C 3.54Å; R349-V356 VanDerWaalsContact O-CA 3.23Å; R349-V356 WeakPolarHBondContact O-CA 3.49Å; R349-T357 PolarHBondContact O-N 2.84Å; R349-E358 HydrophobicContact CB-CB 4Å; R349-E358 HydrophobicContact CB-CG 4.34Å; R349-E358 VanDerWaalsContact CD-CD 3.45Å; R349-E358 WeakPolarHBondContact CD-OE2 3.05Å; R349-E358 HydrophobicContact CG-CB 4.12Å; R349-E358 HydrophobicContact CG-CG 4.45Å; R349-E358 IonicContact CZ-OE2 3.14Å; R349-E358 PolarHBondContact N-O 3.07Å; R349-E358 IonicContact NE-OE1 2.65Å; R349-E358 IonicContact NE-OE2 3.75Å; R349-E358 PolarHBondContact NE-OE2 3.36Å |
| 350 | Y | 94.7 | Very high | 91.8 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.9 | 179.4 | -59.7 | -97.3 | 0 | 0 | 0 | 111 | R334 M335 V336 G354 R355 V356 | R334-Y350 HydrophobicContact CG-CD1 4.45Å; R334-Y350 HydrophobicContact CG-CD2 4.03Å; R334-Y350 HydrophobicContact CG-CE1 4.16Å; R334-Y350 HydrophobicContact CG-CE2 3.73Å; R334-Y350 HydrophobicContact CG-CG 4.39Å; M335-Y350 VanDerWaalsContact O-CE2 3.32Å; M335-Y350 WeakPolarHBondContact O-CE2 3.14Å; M335-Y350 PolarHBondContact O-OH 2.87Å; V336-Y350 HydrophobicContact CG1-CE2 4.37Å; Y350-G354 WeakPolarHBondContact CD1-O 3.49Å; Y350-R355 CarbonylContact C-O 3.56Å; Y350-R355 WeakPolarHBondContact CA-O 3.22Å; Y350-V356 HydrophobicContact CD1-CG2 3.83Å; Y350-V356 HydrophobicContact CE1-CB 4.45Å; Y350-V356 HydrophobicContact CE1-CG2 3.35Å |
| 351 | D | 92.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | trans | -79.8 | -175.7 | 168 | 68.2 | 13.8 | 0 | 0 | 0 | 112.7 | D353 G354 R355 T357 | D351-D353 PolarHBondContact O-N 2.85Å; D351-D353 WeakPolarHBondContact OD1-CA 3.42Å; D351-D353 WeakPolarHBondContact OD1-CB 3.39Å; D351-D353 PolarHBondContact OD1-N 2.84Å; D351-G354 PolarHBondContact O-N 2.82Å; D351-G354 PolarHBondContact OD1-N 2.81Å; D351-R355 PolarHBondContact N-O 2.85Å; D351-R355 PolarHBondContact OD1-N 3.08Å; D351-R355 IonicContact OD2-CZ 3.79Å; D351-R355 IonicContact OD2-NE 2.75Å; D351-R355 PolarHBondContact OD2-NE 2.96Å; D351-R355 IonicContact OD2-NH2 3.08Å; D351-R355 PolarHBondContact OD2-NH2 3.1Å; D351-T357 HydrophobicContact CB-CG2 3.8Å | ||
| 352 | S | 88.5 | Confident | 91.7 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.7 | 174.8 | 50 | 0 | 0 | 0 | 0 | 113.8 | G354 | S352-G354 VanDerWaalsContact C-N 3.25Å; S352-G354 PolarHBondContact O-N 2.89Å |
| 353 | D | 85.8 | Confident | 91.2 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.4 | -178.1 | -56.2 | -20.6 | 0 | 0 | 0 | 111.4 | R71 D351 R355 | R71-D353 PolarHBondContact NH2-O 2.59Å; D351-D353 PolarHBondContact O-N 2.85Å; D351-D353 WeakPolarHBondContact OD1-CA 3.42Å; D351-D353 WeakPolarHBondContact OD1-CB 3.39Å; D351-D353 PolarHBondContact OD1-N 2.84Å; D353-R355 IonicContact OD2-CZ 2.81Å; D353-R355 IonicContact OD2-NH1 3.66Å; D353-R355 IonicContact OD2-NH2 3.79Å; D353-R355 PolarHBondContact OD2-NH2 3.17Å |
| 354 | G | 87.1 | Confident | 90.9 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 83.3 | 17.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y350 D351 S352 | Y350-G354 WeakPolarHBondContact CD1-O 3.49Å; D351-G354 PolarHBondContact O-N 2.82Å; D351-G354 PolarHBondContact OD1-N 2.81Å; S352-G354 VanDerWaalsContact C-N 3.25Å; S352-G354 PolarHBondContact O-N 2.89Å |
| 355 | R | 89.9 | Confident | 90.8 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 30% | 0.302 | 26% | 0.261 | S | S | . | . | trans | -88.8 | 138.7 | 174.8 | -58.2 | 175.6 | -64.7 | -141.2 | -12.7 | 110.8 | G43 Y350 D351 D353 T357 Y371 | G43-R355 CarbonylContact O-C 3.49Å; G43-R355 WeakPolarHBondContact O-CA 3.33Å; Y350-R355 CarbonylContact C-O 3.56Å; Y350-R355 WeakPolarHBondContact CA-O 3.22Å; D351-R355 PolarHBondContact N-O 2.85Å; D351-R355 PolarHBondContact OD1-N 3.08Å; D351-R355 IonicContact OD2-CZ 3.79Å; D351-R355 IonicContact OD2-NE 2.75Å; D351-R355 PolarHBondContact OD2-NE 2.96Å; D351-R355 IonicContact OD2-NH2 3.08Å; D351-R355 PolarHBondContact OD2-NH2 3.1Å; D353-R355 IonicContact OD2-CZ 2.81Å; D353-R355 IonicContact OD2-NH1 3.66Å; D353-R355 IonicContact OD2-NH2 3.79Å; D353-R355 PolarHBondContact OD2-NH2 3.17Å; R355-T357 PolarHBondContact O-N 2.83Å; R355-Y371 HydrophobicContact CB-CD2 3.88Å; R355-Y371 HydrophobicContact CB-CE2 3.55Å; R355-Y371 HydrophobicContact CG-CD2 4.44Å; R355-Y371 HydrophobicContact CG-CE2 4.46Å | ||
| 356 | V | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 115.4 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | V38 G43 K45 Y348 R349 Y350 E358 Y369 Y371 | V38-V356 HydrophobicContact CG1-CB 3.98Å; V38-V356 HydrophobicContact CG1-CG1 4.05Å; V38-V356 HydrophobicContact CG1-CG2 4.37Å; V38-V356 HydrophobicContact CG2-CG1 3.93Å; G43-V356 PolarHBondContact O-N 3.21Å; K45-V356 HydrophobicContact CB-CG2 3.94Å; Y348-V356 HydrophobicContact CD1-CG1 4.27Å; R349-V356 CarbonylContact O-C 3.54Å; R349-V356 VanDerWaalsContact O-CA 3.23Å; R349-V356 WeakPolarHBondContact O-CA 3.49Å; Y350-V356 HydrophobicContact CD1-CG2 3.83Å; Y350-V356 HydrophobicContact CE1-CB 4.45Å; Y350-V356 HydrophobicContact CE1-CG2 3.35Å; V356-E358 WeakPolarHBondContact CG1-O 2.97Å; V356-Y369 HydrophobicContact CG1-CD2 4.17Å; V356-Y369 HydrophobicContact CG1-CE2 4.24Å; V356-Y369 WeakPolarHBondContact O-CB 3.16Å; V356-Y371 WeakPolarHBondContact O-CE2 3.01Å; V356-Y371 VanDerWaalsContact O-CZ 3.31Å; V356-Y371 PolarHBondContact O-OH 2.87Å |
| 357 | T | 96.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 23% | 0.233 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -25 | 177.1 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | R349 D351 R355 T368 Y369 | R349-T357 PolarHBondContact O-N 2.84Å; D351-T357 HydrophobicContact CB-CG2 3.8Å; R355-T357 PolarHBondContact O-N 2.83Å; T357-T368 CarbonylContact O-C 3.57Å; T357-T368 WeakPolarHBondContact O-CA 3.32Å; T357-Y369 PolarHBondContact O-N 2.92Å |
| 358 | E | 96.1 | Very high | 90.9 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 140.6 | 178.4 | -59.6 | 174.5 | -162 | 0 | 0 | 110.4 | Y348 R349 V356 Y367 T368 | Y348-E358 CarbonylContact C-O 3.55Å; Y348-E358 VanDerWaalsContact CA-O 3.29Å; Y348-E358 WeakPolarHBondContact CA-O 3.33Å; R349-E358 HydrophobicContact CB-CB 4Å; R349-E358 HydrophobicContact CB-CG 4.34Å; R349-E358 VanDerWaalsContact CD-CD 3.45Å; R349-E358 WeakPolarHBondContact CD-OE2 3.05Å; R349-E358 HydrophobicContact CG-CB 4.12Å; R349-E358 HydrophobicContact CG-CG 4.45Å; R349-E358 IonicContact CZ-OE2 3.14Å; R349-E358 PolarHBondContact N-O 3.07Å; R349-E358 IonicContact NE-OE1 2.65Å; R349-E358 IonicContact NE-OE2 3.75Å; R349-E358 PolarHBondContact NE-OE2 3.36Å; V356-E358 WeakPolarHBondContact CG1-O 2.97Å; E358-Y367 CarbonylContact C-O 3.52Å; E358-Y367 WeakPolarHBondContact CA-O 3.31Å; E358-T368 HydrophobicContact CG-CG2 4.37Å |
| 359 | Q | 94.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.2 | 162.6 | 173.9 | -178.1 | -6.4 | 0 | 0 | 108.5 | G35 V38 I346 R347 Y348 N361 S366 Y367 Y369 | G35-Q359 PolarHBondContact O-NE2 3.26Å; V38-Q359 HydrophobicContact CG2-CB 4.25Å; I346-Q359 HydrophobicContact CG2-CG 4.17Å; R347-Q359 CarbonylContact O-C 3.59Å; R347-Q359 WeakPolarHBondContact O-CA 3.34Å; Y348-Q359 HydrophobicContact CD1-CB 4.15Å; Y348-Q359 HydrophobicContact CD1-CG 4.15Å; Y348-Q359 HydrophobicContact CE1-CB 4.25Å; Y348-Q359 HydrophobicContact CE1-CG 3.81Å; Q359-N361 WeakPolarHBondContact CG-OD1 3.35Å; Q359-N361 PolarHBondContact NE2-ND2 3.3Å; Q359-N361 PolarHBondContact NE2-OD1 3.16Å; Q359-S366 CarbonylContact O-C 3.55Å; Q359-S366 VanDerWaalsContact O-CA 3.26Å; Q359-S366 WeakPolarHBondContact O-CA 3.43Å; Q359-S366 VanDerWaalsContact O-CB 3.28Å; Q359-S366 WeakPolarHBondContact O-CB 3.24Å; Q359-Y367 PolarHBondContact N-O 3.46Å; Q359-Y367 PolarHBondContact O-N 3.05Å; Q359-Y369 HydrophobicContact CB-CE2 4.28Å |
| 360 | L | 94.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 44.9 Ų | 44.9 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118 | 175.1 | -179 | 75.6 | 0 | 0 | 0 | 109.8 | I346 R347 | I346-L360 WeakPolarHBondContact CA-O 3.45Å; R347-L360 HydrophobicContact CB-CB 4.29Å; R347-L360 PolarHBondContact N-O 3.29Å; R347-L360 PolarHBondContact O-N 2.95Å |
| 361 | N | 89.3 | Confident | 90.8 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -114.5 | 98.3 | 176.4 | -68.1 | -24.3 | 0 | 0 | 0 | 108.7 | I346 Q359 A363 G364 L365 S366 W609 | I346-N361 WeakPolarHBondContact CG1-OD1 3.41Å; I346-N361 WeakPolarHBondContact CG2-OD1 3.39Å; Q359-N361 WeakPolarHBondContact CG-OD1 3.35Å; Q359-N361 PolarHBondContact NE2-ND2 3.3Å; Q359-N361 PolarHBondContact NE2-OD1 3.16Å; N361-A363 PolarHBondContact O-N 3.46Å; N361-G364 PolarHBondContact O-N 3.37Å; N361-L365 VanDerWaalsContact CB-O 3.28Å; N361-L365 WeakPolarHBondContact CB-O 2.98Å; N361-L365 PolarHBondContact ND2-O 2.83Å; N361-S366 PolarHBondContact N-OG 3.01Å; N361-W609 HydrophobicContact CB-CH2 4.39Å; N361-W609 HydrophobicContact CB-CZ3 4.19Å | ||
| 362 | P | 85.2 | Confident | 90.7 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.1 | -168.2 | -26.9 | 36 | 0 | 0 | 0 | 117.2 | P344 E345 | P344-P362 HydrophobicContact CB-CB 4.27Å; P344-P362 HydrophobicContact CB-CG 4.4Å; E345-P362 WeakPolarHBondContact O-CD 3.25Å; E345-P362 VanDerWaalsContact O-CG 3.28Å; E345-P362 WeakPolarHBondContact O-CG 3.37Å |
| 363 | A | 77.7 | Confident | 90.6 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 24.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P344 N361 A608 W609 | P344-A363 HydrophobicContact CG-CB 4.03Å; N361-A363 PolarHBondContact O-N 3.46Å; A363-A608 HydrophobicContact CB-CB 4.09Å; A363-W609 HydrophobicContact CB-CE3 4.13Å; A363-W609 VanDerWaalsContact O-CE3 3.24Å |
| 364 | G | 83.5 | Confident | 90.7 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -162.9 | -166.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N361 S366 A628 | N361-G364 PolarHBondContact O-N 3.37Å; G364-S366 PolarHBondContact O-N 3.03Å; G364-A628 CarbonylContact C-O 3.43Å; G364-A628 VanDerWaalsContact C-O 3.26Å; G364-A628 VanDerWaalsContact CA-O 3.27Å; G364-A628 WeakPolarHBondContact CA-O 3.32Å |
| 365 | L | 88.2 | Confident | 90.9 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | trans | -63.5 | 127.2 | 176.7 | -65.3 | 173.4 | 0 | 0 | 0 | 111.2 | N361 Y367 D380 S381 L382 A628 A629 | N361-L365 VanDerWaalsContact CB-O 3.28Å; N361-L365 WeakPolarHBondContact CB-O 2.98Å; N361-L365 PolarHBondContact ND2-O 2.83Å; L365-Y367 HydrophobicContact CB-CE2 3.66Å; L365-Y367 WeakPolarHBondContact CD1-OH 3.47Å; L365-Y367 WeakPolarHBondContact O-CD2 3.29Å; L365-Y367 WeakPolarHBondContact O-CE2 3.35Å; L365-D380 WeakPolarHBondContact CD1-OD2 3.43Å; L365-S381 WeakPolarHBondContact CA-OG 3.29Å; L365-L382 HydrophobicContact CD2-CD1 3.68Å; L365-L382 HydrophobicContact CD2-CG 3.62Å; L365-A628 HydrophobicContact CD2-CB 4.37Å; L365-A628 WeakPolarHBondContact CG-O 3.33Å; L365-A628 PolarHBondContact N-O 3.37Å; L365-A629 HydrophobicContact CD1-CB 3.94Å; L365-A629 HydrophobicContact CD2-CB 4.25Å; L365-A629 HydrophobicContact CG-CB 4.21Å | ||
| 366 | S | 92.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | trans | -93 | 155.8 | 165.6 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | Q359 N361 G364 D380 S381 | Q359-S366 CarbonylContact O-C 3.55Å; Q359-S366 VanDerWaalsContact O-CA 3.26Å; Q359-S366 WeakPolarHBondContact O-CA 3.43Å; Q359-S366 VanDerWaalsContact O-CB 3.28Å; Q359-S366 WeakPolarHBondContact O-CB 3.24Å; N361-S366 PolarHBondContact N-OG 3.01Å; G364-S366 PolarHBondContact O-N 3.03Å; S366-D380 CarbonylContact O-C 3.49Å; S366-D380 VanDerWaalsContact O-CA 3.23Å; S366-D380 WeakPolarHBondContact O-CA 3.24Å; S366-S381 PolarHBondContact N-OG 2.86Å; S366-S381 PolarHBondContact O-N 3.33Å | ||
| 367 | Y | 93.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.2 | -171.8 | -61.4 | -96.4 | 0 | 0 | 0 | 111.5 | S34 G35 E358 Q359 L365 Y369 I378 T379 D380 | S34-Y367 WeakPolarHBondContact OG-CD1 3.35Å; G35-Y367 VanDerWaalsContact CA-CZ 3.46Å; E358-Y367 CarbonylContact C-O 3.52Å; E358-Y367 WeakPolarHBondContact CA-O 3.31Å; Q359-Y367 PolarHBondContact N-O 3.46Å; Q359-Y367 PolarHBondContact O-N 3.05Å; L365-Y367 HydrophobicContact CB-CE2 3.66Å; L365-Y367 WeakPolarHBondContact CD1-OH 3.47Å; L365-Y367 WeakPolarHBondContact O-CD2 3.29Å; L365-Y367 WeakPolarHBondContact O-CE2 3.35Å; Y367-Y369 WeakPolarHBondContact CB-OH 3.33Å; Y367-I378 HydrophobicContact CD1-CG2 4.23Å; Y367-T379 CarbonylContact C-O 3.55Å; Y367-T379 WeakPolarHBondContact CA-O 3.5Å; Y367-D380 HydrophobicContact CD1-CB 3.81Å; Y367-D380 HydrophobicContact CE1-CB 3.75Å |
| 368 | T | 96.5 | Very high | 91.1 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.362 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.9 | 172.1 | 63.5 | 0 | 0 | 0 | 0 | 110 | T357 E358 I378 T379 | T357-T368 CarbonylContact O-C 3.57Å; T357-T368 WeakPolarHBondContact O-CA 3.32Å; E358-T368 HydrophobicContact CG-CG2 4.37Å; T368-I378 WeakPolarHBondContact O-CA 3.47Å; T368-T379 PolarHBondContact N-O 3.36Å; T368-T379 PolarHBondContact O-N 2.73Å; T368-T379 PolarHBondContact OG1-O 3.18Å |
| 369 | Y | 95.2 | Very high | 91.1 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.4 | -171.5 | -58.3 | -84.1 | 0 | 0 | 0 | 110.4 | S34 V38 P40 V356 T357 Q359 Y367 Y371 I378 | S34-Y369 WeakPolarHBondContact CB-OH 3.19Å; S34-Y369 PolarHBondContact O-OH 3.45Å; S34-Y369 PolarHBondContact OG-OH 3.33Å; V38-Y369 HydrophobicContact CB-CE2 4.18Å; V38-Y369 WeakPolarHBondContact CB-OH 3.05Å; V38-Y369 HydrophobicContact CG1-CD2 4.4Å; V38-Y369 HydrophobicContact CG1-CE1 4.06Å; V38-Y369 HydrophobicContact CG1-CE2 3.87Å; V38-Y369 HydrophobicContact CG2-CE2 4.23Å; P40-Y369 HydrophobicContact CB-CD1 4.37Å; V356-Y369 HydrophobicContact CG1-CD2 4.17Å; V356-Y369 HydrophobicContact CG1-CE2 4.24Å; V356-Y369 WeakPolarHBondContact O-CB 3.16Å; T357-Y369 PolarHBondContact O-N 2.92Å; Q359-Y369 HydrophobicContact CB-CE2 4.28Å; Y367-Y369 WeakPolarHBondContact CB-OH 3.33Å; Y369-Y371 WeakPolarHBondContact CB-OH 3.4Å; Y369-I378 HydrophobicContact CD1-CG1 4.05Å; Y369-I378 HydrophobicContact CD1-CG2 4.38Å; Y369-I378 HydrophobicContact CE1-CG1 4.18Å; Y369-I378 HydrophobicContact CE1-CG2 3.99Å |
| 370 | Q | 95.9 | Very high | 91.1 | Very high | 111 Ų | 111 | 46.8 Ų | 46.8 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.7 | 175.9 | -58.2 | 178.1 | 1.8 | 0 | 0 | 109.1 | I376 T377 | Q370-I376 WeakPolarHBondContact O-CA 3.22Å; Q370-T377 PolarHBondContact N-O 3.31Å; Q370-T377 PolarHBondContact O-N 3.26Å |
| 371 | Y | 91.8 | Very high | 91 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.3 | -175.8 | -57.1 | -71.2 | 0 | 0 | 0 | 111.3 | P40 G43 R355 V356 Y369 I376 | P40-Y371 WeakPolarHBondContact O-CE1 3.35Å; G43-Y371 WeakPolarHBondContact CA-OH 3.28Å; R355-Y371 HydrophobicContact CB-CD2 3.88Å; R355-Y371 HydrophobicContact CB-CE2 3.55Å; R355-Y371 HydrophobicContact CG-CD2 4.44Å; R355-Y371 HydrophobicContact CG-CE2 4.46Å; V356-Y371 WeakPolarHBondContact O-CE2 3.01Å; V356-Y371 VanDerWaalsContact O-CZ 3.31Å; V356-Y371 PolarHBondContact O-OH 2.87Å; Y369-Y371 WeakPolarHBondContact CB-OH 3.4Å; Y371-I376 HydrophobicContact CD1-CG1 4.25Å; Y371-I376 HydrophobicContact CD1-CG2 3.75Å; Y371-I376 HydrophobicContact CE1-CG2 3.78Å |
| 372 | E | 91.5 | Very high | 91.1 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | trans | -114.7 | 177.8 | 170.3 | -56.5 | 179.8 | -109 | 0 | 0 | 109.2 | R375 | E372-R375 CarbonylContact C-O 3.55Å; E372-R375 WeakPolarHBondContact CA-O 3.16Å; E372-R375 HydrophobicContact CB-CB 4.19Å; E372-R375 WeakPolarHBondContact CB-O 3.35Å; E372-R375 VanDerWaalsContact CD-NH2 3.28Å; E372-R375 PolarHBondContact N-O 3.31Å; E372-R375 IonicContact OE1-CZ 2.95Å; E372-R375 IonicContact OE1-NE 2.69Å; E372-R375 PolarHBondContact OE1-NE 2.86Å; E372-R375 IonicContact OE1-NH2 3.99Å; E372-R375 PolarHBondContact OE1-NH2 3.07Å; E372-R375 VanDerWaalsContact OE1-NH2 3.12Å; E372-R375 IonicContact OE2-CZ 3.71Å; E372-R375 IonicContact OE2-NE 3.93Å; E372-R375 IonicContact OE2-NH2 3.39Å; E372-R375 PolarHBondContact OE2-NH2 3.03Å | ||
| 373 | K | 85.5 | Confident | 91.4 | Very high | 166 Ų | 166 | 51.8 Ų | 51.8 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -60.9 | -55.1 | -173.7 | -175.3 | 179.1 | 179.8 | -178.8 | 0 | 111.3 | E393 K397 | K373-E393 VanDerWaalsContact CE-OE1 3.26Å; K373-E393 WeakPolarHBondContact CE-OE1 3.05Å; K373-E393 IonicContact NZ-OE1 3.54Å; K373-K397 PolarHBondContact O-NZ 2.95Å |
| 374 | D | 88.5 | Confident | 92.1 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -111.6 | -0.4 | -174.2 | 56.9 | -12.8 | 0 | 0 | 0 | 112.7 | H389 T390 | D374-H389 CarbonylContact O-C 3.4Å; D374-H389 WeakPolarHBondContact O-CA 3.24Å; D374-T390 WeakPolarHBondContact CA-OG1 3.34Å; D374-T390 PolarHBondContact O-N 2.76Å; D374-T390 PolarHBondContact O-OG1 2.85Å |
| 375 | R | 91.5 | Very high | 92.7 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.6 | -178.9 | 177.3 | 169.1 | 61 | -134.6 | -2.9 | 112.2 | E372 V387 L388 | E372-R375 CarbonylContact C-O 3.55Å; E372-R375 WeakPolarHBondContact CA-O 3.16Å; E372-R375 HydrophobicContact CB-CB 4.19Å; E372-R375 WeakPolarHBondContact CB-O 3.35Å; E372-R375 VanDerWaalsContact CD-NH2 3.28Å; E372-R375 PolarHBondContact N-O 3.31Å; E372-R375 IonicContact OE1-CZ 2.95Å; E372-R375 IonicContact OE1-NE 2.69Å; E372-R375 PolarHBondContact OE1-NE 2.86Å; E372-R375 IonicContact OE1-NH2 3.99Å; E372-R375 PolarHBondContact OE1-NH2 3.07Å; E372-R375 VanDerWaalsContact OE1-NH2 3.12Å; E372-R375 IonicContact OE2-CZ 3.71Å; E372-R375 IonicContact OE2-NE 3.93Å; E372-R375 IonicContact OE2-NH2 3.39Å; E372-R375 PolarHBondContact OE2-NH2 3.03Å; R375-V387 VanDerWaalsContact CD-CG1 3.45Å; R375-V387 HydrophobicContact CG-CG1 3.53Å; R375-L388 CarbonylContact C-O 3.24Å; R375-L388 WeakPolarHBondContact CA-O 3.44Å |
| 376 | I | 92.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 120.1 | 169.9 | -48.8 | 169.7 | 0 | 0 | 0 | 107.2 | P40 L41 Q370 Y371 L388 T390 | P40-I376 HydrophobicContact CB-CD1 4.34Å; P40-I376 HydrophobicContact CB-CG2 3.97Å; L41-I376 HydrophobicContact CD2-CD1 4.03Å; Q370-I376 WeakPolarHBondContact O-CA 3.22Å; Y371-I376 HydrophobicContact CD1-CG1 4.25Å; Y371-I376 HydrophobicContact CD1-CG2 3.75Å; Y371-I376 HydrophobicContact CE1-CG2 3.78Å; I376-L388 HydrophobicContact CB-CB 4.26Å; I376-L388 PolarHBondContact N-O 3.42Å; I376-L388 PolarHBondContact O-N 2.92Å; I376-T390 HydrophobicContact CD1-CG2 4.29Å |
| 377 | T | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.1 | 172.8 | -65.8 | 0 | 0 | 0 | 0 | 109.4 | Q370 R385 | Q370-T377 PolarHBondContact N-O 3.31Å; Q370-T377 PolarHBondContact O-N 3.26Å; T377-R385 HydrophobicContact CG2-CG 3.68Å; T377-R385 PolarHBondContact OG1-NH2 3.02Å |
| 378 | I | 94.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.1 | 176.5 | -55.4 | 170.3 | 0 | 0 | 0 | 106.7 | S34 P40 Y367 T368 Y369 R385 E386 L388 | S34-I378 VanDerWaalsContact OG-CG2 3.29Å; S34-I378 WeakPolarHBondContact OG-CG2 3.18Å; P40-I378 HydrophobicContact CB-CD1 4.15Å; P40-I378 HydrophobicContact CG-CD1 3.9Å; Y367-I378 HydrophobicContact CD1-CG2 4.23Å; T368-I378 WeakPolarHBondContact O-CA 3.47Å; Y369-I378 HydrophobicContact CD1-CG1 4.05Å; Y369-I378 HydrophobicContact CD1-CG2 4.38Å; Y369-I378 HydrophobicContact CE1-CG1 4.18Å; Y369-I378 HydrophobicContact CE1-CG2 3.99Å; I378-R385 WeakPolarHBondContact O-CA 3.22Å; I378-E386 HydrophobicContact CB-CB 4.3Å; I378-E386 PolarHBondContact N-O 2.9Å; I378-E386 PolarHBondContact O-N 2.85Å; I378-L388 HydrophobicContact CD1-CD1 3.73Å; I378-L388 HydrophobicContact CD1-CG 4.06Å |
| 379 | T | 95.5 | Very high | 92.7 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | Y367 T368 R384 | Y367-T379 CarbonylContact C-O 3.55Å; Y367-T379 WeakPolarHBondContact CA-O 3.5Å; T368-T379 PolarHBondContact N-O 3.36Å; T368-T379 PolarHBondContact O-N 2.73Å; T368-T379 PolarHBondContact OG1-O 3.18Å; T379-R384 VanDerWaalsContact CA-O 3.32Å; T379-R384 WeakPolarHBondContact CA-O 3.37Å |
| 380 | D | 93.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 173.9 | 177.2 | 82.9 | -1.1 | 0 | 0 | 0 | 112.8 | L365 S366 Y367 L382 D383 R384 | L365-D380 WeakPolarHBondContact CD1-OD2 3.43Å; S366-D380 CarbonylContact O-C 3.49Å; S366-D380 VanDerWaalsContact O-CA 3.23Å; S366-D380 WeakPolarHBondContact O-CA 3.24Å; Y367-D380 HydrophobicContact CD1-CB 3.81Å; Y367-D380 HydrophobicContact CE1-CB 3.75Å; D380-L382 PolarHBondContact O-N 3.18Å; D380-L382 VanDerWaalsContact O-N 3.14Å; D380-L382 WeakPolarHBondContact OD1-CA 3.34Å; D380-L382 WeakPolarHBondContact OD1-CB 3.37Å; D380-L382 PolarHBondContact OD1-N 2.98Å; D380-D383 PolarHBondContact O-N 2.84Å; D380-D383 PolarHBondContact OD1-N 2.77Å; D380-R384 PolarHBondContact N-O 2.84Å; D380-R384 VanDerWaalsContact N-O 3.09Å; D380-R384 WeakPolarHBondContact OD1-CB 3.5Å; D380-R384 PolarHBondContact OD1-N 3.49Å; D380-R384 IonicContact OD1-NE 2.73Å; D380-R384 IonicContact OD2-CZ 2.66Å; D380-R384 IonicContact OD2-NE 2.77Å; D380-R384 PolarHBondContact OD2-NE 3.06Å; D380-R384 IonicContact OD2-NH2 2.78Å; D380-R384 PolarHBondContact OD2-NH2 3.09Å |
| 381 | S | 92.7 | Very high | 91.5 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 42% | 0.42 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 10.8 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | L365 S366 | L365-S381 WeakPolarHBondContact CA-OG 3.29Å; S366-S381 PolarHBondContact N-OG 2.86Å; S366-S381 PolarHBondContact O-N 3.33Å |
| 382 | L | 91.1 | Very high | 90.4 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 15.3 | 164.7 | -61.8 | 177.2 | 0 | 0 | 0 | 111 | L365 D380 R384 A629 | L365-L382 HydrophobicContact CD2-CD1 3.68Å; L365-L382 HydrophobicContact CD2-CG 3.62Å; D380-L382 PolarHBondContact O-N 3.18Å; D380-L382 VanDerWaalsContact O-N 3.14Å; D380-L382 WeakPolarHBondContact OD1-CA 3.34Å; D380-L382 WeakPolarHBondContact OD1-CB 3.37Å; D380-L382 PolarHBondContact OD1-N 2.98Å; L382-R384 HydrophobicContact CB-CG 4.03Å; L382-R384 PolarHBondContact O-N 3.43Å; L382-A629 HydrophobicContact CD1-CB 4.21Å |
| 383 | D | 93 | Very high | 89.2 | Confident | 145 Ų | 145 | 55.8 Ų | 55.8 | 78% | 0.775 | 28% | 0.278 | S | S | * | . | trans | 59.3 | 20 | -175.7 | -62 | -49.3 | 0 | 0 | 0 | 114.3 | D380 | D380-D383 PolarHBondContact O-N 2.84Å; D380-D383 PolarHBondContact OD1-N 2.77Å | ||
| 384 | R | 92.7 | Very high | 87.9 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | trans | -79.7 | 131 | 177.6 | -56.1 | -173.5 | -60.8 | 160.9 | -7.5 | 109.8 | T379 D380 L382 A405 V649 D651 | T379-R384 VanDerWaalsContact CA-O 3.32Å; T379-R384 WeakPolarHBondContact CA-O 3.37Å; D380-R384 PolarHBondContact N-O 2.84Å; D380-R384 VanDerWaalsContact N-O 3.09Å; D380-R384 WeakPolarHBondContact OD1-CB 3.5Å; D380-R384 PolarHBondContact OD1-N 3.49Å; D380-R384 IonicContact OD1-NE 2.73Å; D380-R384 IonicContact OD2-CZ 2.66Å; D380-R384 IonicContact OD2-NE 2.77Å; D380-R384 PolarHBondContact OD2-NE 3.06Å; D380-R384 IonicContact OD2-NH2 2.78Å; D380-R384 PolarHBondContact OD2-NH2 3.09Å; L382-R384 HydrophobicContact CB-CG 4.03Å; L382-R384 PolarHBondContact O-N 3.43Å; R384-A405 HydrophobicContact CB-CB 3.98Å; R384-V649 VanDerWaalsContact CD-O 3.32Å; R384-V649 WeakPolarHBondContact CD-O 3.27Å; R384-V649 PolarHBondContact NH1-O 3.47Å; R384-D651 IonicContact CZ-OD1 3Å; R384-D651 IonicContact CZ-OD2 3.44Å; R384-D651 IonicContact NH1-OD1 3.26Å; R384-D651 PolarHBondContact NH1-OD1 2.83Å; R384-D651 IonicContact NH1-OD2 2.66Å; R384-D651 PolarHBondContact NH1-OD2 3.38Å; R384-D651 IonicContact NH2-OD1 3.84Å; R384-D651 IonicContact NH2-OD2 3.4Å; R384-D651 PolarHBondContact NH2-OD2 2.99Å | ||
| 385 | R | 94.3 | Very high | 86.1 | Confident | 126 Ų | 126 | 46.6 Ų | 46.6 | 48% | 0.475 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.4 | -171.7 | -172.1 | -170.8 | 178.6 | -175.3 | 1.5 | 111.8 | T377 I378 V387 A405 | T377-R385 HydrophobicContact CG2-CG 3.68Å; T377-R385 PolarHBondContact OG1-NH2 3.02Å; I378-R385 WeakPolarHBondContact O-CA 3.22Å; R385-V387 HydrophobicContact CG-CG2 4.1Å; R385-A405 WeakPolarHBondContact O-CA 2.92Å |
| 386 | E | 92.4 | Very high | 84.4 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.3 | 167.6 | 175.4 | 173 | 140.2 | 0 | 0 | 109.4 | I378 L388 K402 E403 | I378-E386 HydrophobicContact CB-CB 4.3Å; I378-E386 PolarHBondContact N-O 2.9Å; I378-E386 PolarHBondContact O-N 2.85Å; E386-L388 HydrophobicContact CG-CD2 4.15Å; E386-K402 HydrophobicContact CG-CD 4.36Å; E386-K402 HydrophobicContact CG-CG 4.37Å; E386-K402 VanDerWaalsContact OE1-CE 3.32Å; E386-K402 WeakPolarHBondContact OE1-CE 3.33Å; E386-K402 IonicContact OE1-NZ 3.73Å; E386-K402 PolarHBondContact OE1-NZ 2.8Å; E386-K402 WeakPolarHBondContact OE2-CE 3.28Å; E386-K402 IonicContact OE2-NZ 2.82Å; E386-K402 PolarHBondContact OE2-NZ 3.42Å; E386-E403 WeakPolarHBondContact CA-O 3.19Å |
| 387 | V | 94.9 | Very high | 83.2 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119.9 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | R375 R385 K402 E403 | R375-V387 VanDerWaalsContact CD-CG1 3.45Å; R375-V387 HydrophobicContact CG-CG1 3.53Å; R385-V387 HydrophobicContact CG-CG2 4.1Å; V387-K402 WeakPolarHBondContact O-CA 3.46Å; V387-E403 HydrophobicContact CB-CB 4.04Å; V387-E403 HydrophobicContact CB-CG 4.22Å; V387-E403 WeakPolarHBondContact CB-OE2 3.19Å; V387-E403 PolarHBondContact N-O 3.1Å; V387-E403 PolarHBondContact O-N 3.09Å |
| 388 | L | 92 | Very high | 82.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 107.8 | 176.6 | -55.3 | -175.2 | 0 | 0 | 0 | 108.9 | V32 P40 R375 I376 I378 E386 V399 K401 K402 | V32-L388 HydrophobicContact CG1-CD1 3.72Å; P40-L388 HydrophobicContact CB-CD1 4.24Å; P40-L388 HydrophobicContact CG-CD1 3.88Å; R375-L388 CarbonylContact C-O 3.24Å; R375-L388 WeakPolarHBondContact CA-O 3.44Å; I376-L388 HydrophobicContact CB-CB 4.26Å; I376-L388 PolarHBondContact N-O 3.42Å; I376-L388 PolarHBondContact O-N 2.92Å; I378-L388 HydrophobicContact CD1-CD1 3.73Å; I378-L388 HydrophobicContact CD1-CG 4.06Å; E386-L388 HydrophobicContact CG-CD2 4.15Å; L388-V399 HydrophobicContact CB-CG1 3.76Å; L388-V399 HydrophobicContact CD2-CG1 4.06Å; L388-V399 HydrophobicContact CG-CG1 4.32Å; L388-K401 CarbonylContact C-O 3.57Å; L388-K401 VanDerWaalsContact CA-O 3.27Å; L388-K401 WeakPolarHBondContact CA-O 3.4Å; L388-K402 HydrophobicContact CD2-CB 4.44Å; L388-K402 HydrophobicContact CD2-CD 4.2Å; L388-K402 HydrophobicContact CD2-CG 4.25Å |
| 389 | H | 91.3 | Very high | 81.5 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 150.7 | 168.8 | -50.6 | -132.9 | 0 | 0 | 0 | 108.8 | D374 V399 V400 K401 E403 | D374-H389 CarbonylContact O-C 3.4Å; D374-H389 WeakPolarHBondContact O-CA 3.24Å; H389-V399 WeakPolarHBondContact O-CG1 3.35Å; H389-V400 CarbonylContact O-C 3.59Å; H389-V400 WeakPolarHBondContact O-CA 3.32Å; H389-V400 PolarHBondContact O-N 2.81Å; H389-K401 HydrophobicContact CB-CB 3.4Å; H389-K401 PolarHBondContact N-O 2.85Å; H389-K401 PolarHBondContact O-N 2.84Å; H389-E403 IonicContact CE1-OE1 2.93Å; H389-E403 IonicContact CE1-OE2 3.9Å; H389-E403 IonicContact NE2-OE1 3.97Å; H389-E403 PolarHBondContact NE2-OE1 2.75Å; H389-E403 VanDerWaalsContact NE2-OE1 3.15Å; H389-E403 IonicContact NE2-OE2 3.17Å; H389-E403 PolarHBondContact NE2-OE2 3.23Å |
| 390 | T | 86 | Confident | 81.1 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 141.9 | -159.2 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | L41 D374 I376 K397 R398 V399 V400 | L41-T390 HydrophobicContact CD2-CG2 3.73Å; D374-T390 WeakPolarHBondContact CA-OG1 3.34Å; D374-T390 PolarHBondContact O-N 2.76Å; D374-T390 PolarHBondContact O-OG1 2.85Å; I376-T390 HydrophobicContact CD1-CG2 4.29Å; T390-K397 HydrophobicContact CG2-CG 4.35Å; T390-K397 WeakPolarHBondContact OG1-CE 3.3Å; T390-K397 PolarHBondContact OG1-NZ 2.95Å; T390-R398 CarbonylContact C-O 3.47Å; T390-R398 WeakPolarHBondContact CA-O 3.32Å; T390-R398 WeakPolarHBondContact CB-O 3.49Å; T390-R398 WeakPolarHBondContact CG2-O 3.15Å; T390-V399 HydrophobicContact CG2-CB 4.39Å; T390-V399 HydrophobicContact CG2-CG1 4.35Å; T390-V399 HydrophobicContact CG2-CG2 4.15Å; T390-V400 VanDerWaalsContact CA-CG2 3.49Å |
| 391 | Q | 79.8 | Confident | 81 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.1 | -179.5 | -172.6 | 173.8 | 3.5 | 0 | 0 | 109.6 | K397 R398 V400 T1386 | Q391-K397 WeakPolarHBondContact O-CA 3.2Å; Q391-R398 PolarHBondContact N-O 3.32Å; Q391-R398 VanDerWaalsContact N-O 3.11Å; Q391-R398 PolarHBondContact O-N 3.23Å; Q391-V400 HydrophobicContact CB-CG2 3.6Å; Q391-T1386 HydrophobicContact CB-CG2 3.8Å |
| 392 | G | 70.6 | Confident | 80.9 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 42% | 0.423 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 80.8 | 164.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 393 | E | 64.4 | Low | 81.1 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | trans | -118.8 | 152 | -174.5 | -64.3 | -164.2 | 166.6 | 0 | 0 | 112.6 | K373 G395 L396 | K373-E393 VanDerWaalsContact CE-OE1 3.26Å; K373-E393 WeakPolarHBondContact CE-OE1 3.05Å; K373-E393 IonicContact NZ-OE1 3.54Å; E393-G395 PolarHBondContact O-N 2.82Å; E393-L396 PolarHBondContact O-N 3.37Å | ||
| 394 | A | 60.3 | Low | 81 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 47% | 0.471 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | 48.8 | -116.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G22 L396 K397 | G22-A394 WeakPolarHBondContact O-CB 3.38Å; A394-L396 VanDerWaalsContact C-N 3.29Å; A394-L396 PolarHBondContact O-N 2.75Å; A394-K397 WeakPolarHBondContact O-CB 3.39Å; A394-K397 PolarHBondContact O-N 2.99Å |
| 395 | G | 50.2 | Low | 80.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -53 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G22 A24 C25 E393 K397 R398 | G22-G395 PolarHBondContact O-N 2.67Å; G22-G395 VanDerWaalsContact O-N 3.09Å; A24-G395 VanDerWaalsContact C-CA 3.47Å; A24-G395 CarbonylContact C-O 3.59Å; A24-G395 VanDerWaalsContact C-O 3.26Å; A24-G395 CarbonylContact O-C 3.54Å; A24-G395 VanDerWaalsContact O-C 3.27Å; C25-G395 VanDerWaalsContact CA-O 3.27Å; C25-G395 WeakPolarHBondContact CA-O 3.36Å; C25-G395 WeakPolarHBondContact CB-O 3.3Å; C25-G395 PolarHBondContact N-O 2.95Å; C25-G395 PolarHBondContact SG-O 2.96Å; E393-G395 PolarHBondContact O-N 2.82Å; G395-K397 PolarHBondContact O-N 2.87Å; G395-R398 PolarHBondContact O-NH1 2.83Å; G395-R398 PolarHBondContact O-NH2 2.92Å |
| 396 | L | 55.7 | Low | 80.7 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 34% | 0.34 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -84.8 | 9.3 | -174.9 | -59.5 | 178.6 | 0 | 0 | 0 | 113.1 | V15 E393 A394 R398 | V15-L396 HydrophobicContact CG1-CD1 4.46Å; E393-L396 PolarHBondContact O-N 3.37Å; A394-L396 VanDerWaalsContact C-N 3.29Å; A394-L396 PolarHBondContact O-N 2.75Å; L396-R398 PolarHBondContact O-N 3.06Å; L396-R398 VanDerWaalsContact O-N 3.12Å |
| 397 | K | 67.4 | Low | 80.6 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | trans | -67.6 | 110.1 | 175.3 | -166.2 | 162.1 | -176.6 | 163.5 | 0 | 109.5 | L41 K373 T390 Q391 A394 G395 | L41-K397 HydrophobicContact CD2-CG 4.12Å; K373-K397 PolarHBondContact O-NZ 2.95Å; T390-K397 HydrophobicContact CG2-CG 4.35Å; T390-K397 WeakPolarHBondContact OG1-CE 3.3Å; T390-K397 PolarHBondContact OG1-NZ 2.95Å; Q391-K397 WeakPolarHBondContact O-CA 3.2Å; A394-K397 WeakPolarHBondContact O-CB 3.39Å; A394-K397 PolarHBondContact O-N 2.99Å; G395-K397 PolarHBondContact O-N 2.87Å | ||
| 398 | R | 72.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 150.6 | 173.5 | -52.7 | -60.5 | 151.3 | -120.6 | 22 | 108.8 | Q10 G11 A24 C25 T390 Q391 G395 L396 V400 F414 | Q10-R398 WeakPolarHBondContact O-CD 3.48Å; Q10-R398 PolarHBondContact O-NE 2.85Å; Q10-R398 PolarHBondContact O-NH2 3.46Å; Q10-R398 VanDerWaalsContact OE1-CB 3.27Å; G11-R398 VanDerWaalsContact CA-NH2 3.3Å; G11-R398 PolarHBondContact O-NH2 3.13Å; A24-R398 PolarHBondContact O-NH2 3.4Å; C25-R398 PolarHBondContact SG-NH1 3.19Å; C25-R398 VanDerWaalsContact SG-NH1 3.44Å; T390-R398 CarbonylContact C-O 3.47Å; T390-R398 WeakPolarHBondContact CA-O 3.32Å; T390-R398 WeakPolarHBondContact CB-O 3.49Å; T390-R398 WeakPolarHBondContact CG2-O 3.15Å; Q391-R398 PolarHBondContact N-O 3.32Å; Q391-R398 VanDerWaalsContact N-O 3.11Å; Q391-R398 PolarHBondContact O-N 3.23Å; G395-R398 PolarHBondContact O-NH1 2.83Å; G395-R398 PolarHBondContact O-NH2 2.92Å; L396-R398 PolarHBondContact O-N 3.06Å; L396-R398 VanDerWaalsContact O-N 3.12Å; R398-V400 HydrophobicContact CB-CG1 4.24Å; R398-V400 HydrophobicContact CB-CG2 4.3Å; R398-V400 WeakPolarHBondContact O-CG2 3.45Å; R398-F414 HydrophobicContact CB-CE2 4.45Å; R398-F414 HydrophobicContact CB-CZ 4.47Å |
| 399 | V | 80.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.3 | 163.8 | -168.4 | 0 | 0 | 0 | 0 | 107.5 | Q10 V32 L41 L388 H389 T390 F414 E1384 | Q10-V399 PolarHBondContact OE1-O 3.24Å; V32-V399 HydrophobicContact CG2-CG2 4.24Å; L41-V399 HydrophobicContact CD1-CG2 3.47Å; L41-V399 VanDerWaalsContact CD1-CG2 3.47Å; L41-V399 HydrophobicContact CD2-CG2 3.23Å; L41-V399 HydrophobicContact CG-CG2 3.56Å; L388-V399 HydrophobicContact CB-CG1 3.76Å; L388-V399 HydrophobicContact CD2-CG1 4.06Å; L388-V399 HydrophobicContact CG-CG1 4.32Å; H389-V399 WeakPolarHBondContact O-CG1 3.35Å; T390-V399 HydrophobicContact CG2-CB 4.39Å; T390-V399 HydrophobicContact CG2-CG1 4.35Å; T390-V399 HydrophobicContact CG2-CG2 4.15Å; V399-F414 WeakPolarHBondContact O-CE2 3.48Å; V399-E1384 HydrophobicContact CB-CB 4.39Å; V399-E1384 VanDerWaalsContact CB-CD 3.42Å; V399-E1384 HydrophobicContact CB-CG 4.39Å; V399-E1384 WeakPolarHBondContact CB-OE2 3.39Å; V399-E1384 HydrophobicContact CG1-CB 4.18Å; V399-E1384 WeakPolarHBondContact CG1-OE2 3.33Å; V399-E1384 VanDerWaalsContact O-CB 3.29Å; V399-E1384 WeakPolarHBondContact O-CB 3.37Å; V399-E1384 VanDerWaalsContact O-CG 3.31Å; V399-E1384 WeakPolarHBondContact O-CG 3.33Å |
| 400 | V | 88 | Confident | 80.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 34.9 | -160.1 | -89.1 | 0 | 0 | 0 | 0 | 108.6 | H389 T390 Q391 R398 F414 G1385 T1386 | H389-V400 CarbonylContact O-C 3.59Å; H389-V400 WeakPolarHBondContact O-CA 3.32Å; H389-V400 PolarHBondContact O-N 2.81Å; T390-V400 VanDerWaalsContact CA-CG2 3.49Å; Q391-V400 HydrophobicContact CB-CG2 3.6Å; R398-V400 HydrophobicContact CB-CG1 4.24Å; R398-V400 HydrophobicContact CB-CG2 4.3Å; R398-V400 WeakPolarHBondContact O-CG2 3.45Å; V400-F414 HydrophobicContact CG1-CD2 3.48Å; V400-F414 VanDerWaalsContact CG1-CD2 3.48Å; V400-F414 HydrophobicContact CG1-CE2 3.3Å; V400-F414 HydrophobicContact CG1-CZ 4.44Å; V400-G1385 CarbonylContact O-C 3.32Å; V400-G1385 WeakPolarHBondContact O-CA 3.39Å; V400-T1386 HydrophobicContact CB-CG2 3.38Å; V400-T1386 HydrophobicContact CG1-CG2 4.38Å; V400-T1386 HydrophobicContact CG2-CG2 3.2Å; V400-T1386 WeakPolarHBondContact O-CB 3.46Å; V400-T1386 VanDerWaalsContact O-CG2 3.29Å; V400-T1386 WeakPolarHBondContact O-CG2 3.2Å; V400-T1386 PolarHBondContact O-N 3.1Å; V400-T1386 PolarHBondContact O-OG1 2.94Å |
| 401 | K | 91.8 | Very high | 80.3 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 21% | 0.213 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 128.8 | 139.3 | -163.4 | -175.2 | 179.8 | -168.8 | 0 | 105.2 | L388 H389 E403 V409 E1384 | L388-K401 CarbonylContact C-O 3.57Å; L388-K401 VanDerWaalsContact CA-O 3.27Å; L388-K401 WeakPolarHBondContact CA-O 3.4Å; H389-K401 HydrophobicContact CB-CB 3.4Å; H389-K401 PolarHBondContact N-O 2.85Å; H389-K401 PolarHBondContact O-N 2.84Å; K401-E403 HydrophobicContact CD-CG 3.94Å; K401-E403 WeakPolarHBondContact CE-OE1 3.49Å; K401-E403 HydrophobicContact CG-CG 4.3Å; K401-E403 IonicContact NZ-OE1 3.76Å; K401-E403 PolarHBondContact NZ-OE1 3.33Å; K401-V409 HydrophobicContact CD-CG1 4.3Å; K401-V409 HydrophobicContact CG-CG1 4Å; K401-E1384 CarbonylContact C-O 3.59Å; K401-E1384 VanDerWaalsContact C-O 3.29Å; K401-E1384 WeakPolarHBondContact CA-O 3.08Å |
| 402 | K | 90.6 | Very high | 80.5 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.3 | 164.2 | -178.2 | 160.7 | 168.7 | 156.4 | 0 | 110 | E386 V387 L388 H404 V409 T410 V1382 V1383 E1384 | E386-K402 HydrophobicContact CG-CD 4.36Å; E386-K402 HydrophobicContact CG-CG 4.37Å; E386-K402 VanDerWaalsContact OE1-CE 3.32Å; E386-K402 WeakPolarHBondContact OE1-CE 3.33Å; E386-K402 IonicContact OE1-NZ 3.73Å; E386-K402 PolarHBondContact OE1-NZ 2.8Å; E386-K402 WeakPolarHBondContact OE2-CE 3.28Å; E386-K402 IonicContact OE2-NZ 2.82Å; E386-K402 PolarHBondContact OE2-NZ 3.42Å; V387-K402 WeakPolarHBondContact O-CA 3.46Å; L388-K402 HydrophobicContact CD2-CB 4.44Å; L388-K402 HydrophobicContact CD2-CD 4.2Å; L388-K402 HydrophobicContact CD2-CG 4.25Å; K402-H404 WeakPolarHBondContact CE-ND1 3.27Å; K402-V409 WeakPolarHBondContact O-CA 3.45Å; K402-T410 PolarHBondContact O-N 2.92Å; K402-V1382 HydrophobicContact CD-CG1 4.22Å; K402-V1383 HydrophobicContact CB-CB 4.12Å; K402-V1383 HydrophobicContact CB-CG1 3.59Å; K402-V1383 HydrophobicContact CD-CB 3.84Å; K402-V1383 HydrophobicContact CD-CG1 3.58Å; K402-V1383 HydrophobicContact CD-CG2 4.42Å; K402-V1383 HydrophobicContact CG-CG1 4.22Å; K402-E1384 PolarHBondContact N-O 2.85Å |
| 403 | E | 94.4 | Very high | 81.1 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.1 | 163.5 | -41.3 | -177.2 | 141.9 | 0 | 0 | 106 | E386 V387 H389 K401 S408 V409 | E386-E403 WeakPolarHBondContact CA-O 3.19Å; V387-E403 HydrophobicContact CB-CB 4.04Å; V387-E403 HydrophobicContact CB-CG 4.22Å; V387-E403 WeakPolarHBondContact CB-OE2 3.19Å; V387-E403 PolarHBondContact N-O 3.1Å; V387-E403 PolarHBondContact O-N 3.09Å; H389-E403 IonicContact CE1-OE1 2.93Å; H389-E403 IonicContact CE1-OE2 3.9Å; H389-E403 IonicContact NE2-OE1 3.97Å; H389-E403 PolarHBondContact NE2-OE1 2.75Å; H389-E403 VanDerWaalsContact NE2-OE1 3.15Å; H389-E403 IonicContact NE2-OE2 3.17Å; H389-E403 PolarHBondContact NE2-OE2 3.23Å; K401-E403 HydrophobicContact CD-CG 3.94Å; K401-E403 WeakPolarHBondContact CE-OE1 3.49Å; K401-E403 HydrophobicContact CG-CG 4.3Å; K401-E403 IonicContact NZ-OE1 3.76Å; K401-E403 PolarHBondContact NZ-OE1 3.33Å; E403-S408 WeakPolarHBondContact CA-O 3.03Å; E403-V409 HydrophobicContact CB-CG2 4.43Å; E403-V409 HydrophobicContact CG-CG2 4.15Å |
| 404 | H | 90.6 | Very high | 81.5 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | trans | -80.8 | 172.8 | 179.8 | -58.9 | -111.2 | 0 | 0 | 0 | 110.4 | K402 D406 G407 S408 T410 L650 V1382 | K402-H404 WeakPolarHBondContact CE-ND1 3.27Å; H404-D406 PolarHBondContact O-N 2.82Å; H404-D406 VanDerWaalsContact O-N 3.15Å; H404-G407 PolarHBondContact O-N 2.85Å; H404-S408 WeakPolarHBondContact CB-OG 3.29Å; H404-S408 PolarHBondContact CD2-O 2.79Å; H404-S408 PolarHBondContact N-O 2.72Å; H404-T410 WeakPolarHBondContact NE2-CB 3.49Å; H404-T410 WeakPolarHBondContact NE2-CG2 3.49Å; H404-T410 PolarHBondContact NE2-N 3.3Å; H404-T410 PolarHBondContact NE2-OG1 3.11Å; H404-L650 HydrophobicContact CB-CD2 3.79Å; H404-V1382 WeakPolarHBondContact CE1-CB 3.38Å; H404-V1382 WeakPolarHBondContact CE1-CG1 3.4Å; H404-V1382 PolarHBondContact CE1-O 2.8Å; H404-V1382 PolarHBondContact NE2-O 2.65Å | ||
| 405 | A | 90.6 | Very high | 81.8 | Confident | 33 Ų | 33 | 34.6 Ų | 34.6 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R384 R385 V649 L650 | R384-A405 HydrophobicContact CB-CB 3.98Å; R385-A405 WeakPolarHBondContact O-CA 2.92Å; A405-V649 HydrophobicContact CB-CB 4.17Å; A405-V649 HydrophobicContact CB-CG2 4.24Å; A405-L650 HydrophobicContact CB-CD2 4.14Å |
| 406 | D | 90.9 | Very high | 82.4 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.4 | 171.6 | 69.2 | -22.2 | 0 | 0 | 0 | 113.5 | H404 S408 V649 L650 | H404-D406 PolarHBondContact O-N 2.82Å; H404-D406 VanDerWaalsContact O-N 3.15Å; D406-S408 WeakPolarHBondContact OD1-CB 3.47Å; D406-S408 PolarHBondContact OD1-N 2.74Å; D406-S408 PolarHBondContact OD1-OG 2.97Å; D406-V649 HydrophobicContact CB-CG2 3.58Å; D406-L650 HydrophobicContact CB-CD1 4.44Å; D406-L650 HydrophobicContact CB-CD2 4.3Å; D406-L650 HydrophobicContact CB-CG 4.17Å; D406-L650 WeakPolarHBondContact OD2-CD1 3.46Å |
| 407 | G | 90 | Very high | 82.5 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 57% | 0.567 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 85 | 2.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H404 | H404-G407 PolarHBondContact O-N 2.85Š|
| 408 | S | 90.4 | Very high | 82.1 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | trans | -61.7 | 151 | 166.8 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | E403 H404 D406 | E403-S408 WeakPolarHBondContact CA-O 3.03Å; H404-S408 WeakPolarHBondContact CB-OG 3.29Å; H404-S408 PolarHBondContact CD2-O 2.79Å; H404-S408 PolarHBondContact N-O 2.72Å; D406-S408 WeakPolarHBondContact OD1-CB 3.47Å; D406-S408 PolarHBondContact OD1-N 2.74Å; D406-S408 PolarHBondContact OD1-OG 2.97Å | ||
| 409 | V | 91.8 | Very high | 81.7 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121 | -173.9 | 171.2 | 0 | 0 | 0 | 0 | 109.1 | K401 K402 E403 Q411 A426 | K401-V409 HydrophobicContact CD-CG1 4.3Å; K401-V409 HydrophobicContact CG-CG1 4Å; K402-V409 WeakPolarHBondContact O-CA 3.45Å; E403-V409 HydrophobicContact CB-CG2 4.43Å; E403-V409 HydrophobicContact CG-CG2 4.15Å; V409-Q411 HydrophobicContact CG1-CG 4.35Å; V409-A426 WeakPolarHBondContact O-CA 3.42Å |
| 410 | T | 85.5 | Confident | 81 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 166.6 | 165.8 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | K402 H404 T424 A426 V1382 E1384 | K402-T410 PolarHBondContact O-N 2.92Å; H404-T410 WeakPolarHBondContact NE2-CB 3.49Å; H404-T410 WeakPolarHBondContact NE2-CG2 3.49Å; H404-T410 PolarHBondContact NE2-N 3.3Å; H404-T410 PolarHBondContact NE2-OG1 3.11Å; T410-T424 CarbonylContact C-O 3.54Å; T410-A426 HydrophobicContact CG2-CB 4.03Å; T410-V1382 WeakPolarHBondContact CB-O 3.06Å; T410-V1382 WeakPolarHBondContact CG2-O 3.05Å; T410-V1382 PolarHBondContact OG1-O 2.89Å; T410-E1384 CarbonylContact C-O 3.54Å; T410-E1384 PolarHBondContact OG1-N 3.48Å |
| 411 | Q | 90.3 | Very high | 80.5 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 35% | 0.346 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151 | 173.8 | -58.2 | -164.7 | -69.7 | 0 | 0 | 113.7 | V409 Q423 T424 V1383 E1384 G1385 | V409-Q411 HydrophobicContact CG1-CG 4.35Å; Q411-Q423 CarbonylContact O-C 3.52Å; Q411-Q423 VanDerWaalsContact O-CA 3.24Å; Q411-Q423 WeakPolarHBondContact O-CA 3.4Å; Q411-T424 PolarHBondContact N-O 2.92Å; Q411-T424 PolarHBondContact O-N 3.36Å; Q411-V1383 CarbonylContact C-O 3.53Å; Q411-E1384 VanDerWaalsContact C-C 3.49Å; Q411-E1384 VanDerWaalsContact CA-O 3.27Å; Q411-E1384 WeakPolarHBondContact CA-O 3.49Å; Q411-G1385 VanDerWaalsContact CA-CA 3.49Å; Q411-G1385 VanDerWaalsContact CB-CA 3.48Å; Q411-G1385 PolarHBondContact NE2-O 3.06Å |
| 412 | S | 82.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 128.9 | 173.3 | -74.5 | 0 | 0 | 0 | 0 | 108.2 | A422 Q423 V1383 E1384 G1385 | S412-A422 CarbonylContact C-O 3.58Å; S412-A422 WeakPolarHBondContact CA-O 3.5Å; S412-Q423 WeakPolarHBondContact OG-CG 3.4Å; S412-Q423 PolarHBondContact OG-NE2 3.28Å; S412-V1383 PolarHBondContact OG-O 2.84Å; S412-E1384 WeakPolarHBondContact OG-CA 3.44Å; S412-G1385 VanDerWaalsContact O-CA 3.31Å; S412-G1385 WeakPolarHBondContact O-CA 3.49Å; S412-G1385 PolarHBondContact O-N 3.43Å |
| 413 | Q | 83.3 | Confident | 79.8 | Confident | 97 Ų | 97 | 43.4 Ų | 43.4 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 139 | 174.8 | -57.2 | -178 | 22.3 | 0 | 0 | 109.5 | R421 A422 | Q413-R421 PolarHBondContact O-N 3.02Å; Q413-A422 HydrophobicContact CB-CB 4.24Å; Q413-A422 HydrophobicContact CG-CB 4.41Å; Q413-A422 PolarHBondContact N-O 2.81Å; Q413-A422 PolarHBondContact O-N 2.8Å |
| 414 | F | 73 | Confident | 79.7 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 146.1 | -177.9 | -61.8 | -103.3 | 0 | 0 | 0 | 109.4 | I8 Q10 R398 V399 V400 R419 | I8-F414 HydrophobicContact CD1-CD1 4.13Å; I8-F414 HydrophobicContact CD1-CE1 3.43Å; I8-F414 VanDerWaalsContact CD1-CE1 3.43Å; I8-F414 HydrophobicContact CD1-CE2 4.37Å; I8-F414 HydrophobicContact CD1-CZ 3.56Å; I8-F414 HydrophobicContact CG1-CD1 3.94Å; I8-F414 HydrophobicContact CG1-CE1 3.24Å; I8-F414 HydrophobicContact CG1-CZ 3.86Å; Q10-F414 HydrophobicContact CB-CD1 4.34Å; Q10-F414 HydrophobicContact CB-CE1 3.51Å; Q10-F414 HydrophobicContact CB-CZ 4.22Å; Q10-F414 HydrophobicContact CG-CE1 4.47Å; R398-F414 HydrophobicContact CB-CE2 4.45Å; R398-F414 HydrophobicContact CB-CZ 4.47Å; V399-F414 WeakPolarHBondContact O-CE2 3.48Å; V400-F414 HydrophobicContact CG1-CD2 3.48Å; V400-F414 VanDerWaalsContact CG1-CD2 3.48Å; V400-F414 HydrophobicContact CG1-CE2 3.3Å; V400-F414 HydrophobicContact CG1-CZ 4.44Å; F414-R419 CarbonylContact C-O 3.54Å; F414-R419 VanDerWaalsContact CA-O 3.23Å; F414-R419 WeakPolarHBondContact CA-O 3.48Å |
| 415 | D | 68.1 | Low | 79.4 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 19% | 0.193 | 24% | 0.236 | C | C | . | . | trans | -74.2 | 175 | 167.9 | 71.9 | 9.5 | 0 | 0 | 0 | 111.7 | V417 G418 R419 | D415-V417 PolarHBondContact O-N 3.02Å; D415-V417 WeakPolarHBondContact OD1-CA 3.39Å; D415-V417 WeakPolarHBondContact OD1-CG2 3.42Å; D415-V417 PolarHBondContact OD1-N 2.72Å; D415-V417 WeakPolarHBondContact OD2-CG2 3.25Å; D415-G418 PolarHBondContact O-N 3.03Å; D415-G418 PolarHBondContact OD1-N 2.7Å; D415-R419 PolarHBondContact N-O 3.4Å; D415-R419 PolarHBondContact OD1-N 2.92Å; D415-R419 IonicContact OD1-NE 3.04Å; D415-R419 IonicContact OD2-CZ 2.69Å; D415-R419 IonicContact OD2-NE 2.89Å; D415-R419 PolarHBondContact OD2-NE 3.45Å; D415-R419 IonicContact OD2-NH2 3.68Å; D415-R419 PolarHBondContact OD2-NH2 3.37Å | ||
| 416 | A | 62.7 | Low | 79.3 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 73% | 0.727 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -7.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 417 | V | 56.4 | Low | 79.1 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 21.3 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | S12 A13 D415 R419 | S12-V417 WeakPolarHBondContact CA-O 3.36Å; S12-V417 VanDerWaalsContact CB-O 3.23Å; S12-V417 WeakPolarHBondContact CB-O 3.46Å; S12-V417 PolarHBondContact N-O 2.78Å; A13-V417 HydrophobicContact CB-CB 3.47Å; A13-V417 VanDerWaalsContact CB-CB 3.47Å; A13-V417 HydrophobicContact CB-CG1 3.48Å; A13-V417 VanDerWaalsContact CB-CG1 3.48Å; D415-V417 PolarHBondContact O-N 3.02Å; D415-V417 WeakPolarHBondContact OD1-CA 3.39Å; D415-V417 WeakPolarHBondContact OD1-CG2 3.42Å; D415-V417 PolarHBondContact OD1-N 2.72Å; D415-V417 WeakPolarHBondContact OD2-CG2 3.25Å; V417-R419 VanDerWaalsContact C-N 3.31Å; V417-R419 HydrophobicContact CG2-CG 4.13Å; V417-R419 PolarHBondContact O-N 3.12Å |
| 418 | G | 59.6 | Low | 79 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 71.5 | 16.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q10 D415 | Q10-G418 CarbonylContact C-O 3.53Å; Q10-G418 CarbonylContact O-C 3.26Å; Q10-G418 WeakPolarHBondContact O-CA 3.29Å; D415-G418 PolarHBondContact O-N 3.03Å; D415-G418 PolarHBondContact OD1-N 2.7Å |
| 419 | R | 64.2 | Low | 78.8 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | trans | -91.3 | 151 | 174.2 | -56.7 | 173.3 | -58 | 180 | 13.4 | 110 | F414 D415 V417 R421 P435 D436 | F414-R419 CarbonylContact C-O 3.54Å; F414-R419 VanDerWaalsContact CA-O 3.23Å; F414-R419 WeakPolarHBondContact CA-O 3.48Å; D415-R419 PolarHBondContact N-O 3.4Å; D415-R419 PolarHBondContact OD1-N 2.92Å; D415-R419 IonicContact OD1-NE 3.04Å; D415-R419 IonicContact OD2-CZ 2.69Å; D415-R419 IonicContact OD2-NE 2.89Å; D415-R419 PolarHBondContact OD2-NE 3.45Å; D415-R419 IonicContact OD2-NH2 3.68Å; D415-R419 PolarHBondContact OD2-NH2 3.37Å; V417-R419 VanDerWaalsContact C-N 3.31Å; V417-R419 HydrophobicContact CG2-CG 4.13Å; V417-R419 PolarHBondContact O-N 3.12Å; R419-R421 PolarHBondContact O-N 2.86Å; R419-P435 HydrophobicContact CB-CG 4.16Å; R419-D436 PolarHBondContact NH1-O 2.92Å | ||
| 420 | L | 66.5 | Low | 78.7 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 128.5 | 174.7 | 178.8 | 50.4 | 0 | 0 | 0 | 109.4 | I8 A422 Q423 Y433 | I8-L420 HydrophobicContact CB-CB 3.7Å; I8-L420 HydrophobicContact CB-CD2 4.41Å; I8-L420 HydrophobicContact CD1-CB 3.44Å; I8-L420 VanDerWaalsContact CD1-CB 3.44Å; I8-L420 HydrophobicContact CD1-CD1 3.5Å; I8-L420 VanDerWaalsContact CD1-CD1 3.5Å; I8-L420 HydrophobicContact CD1-CD2 3.97Å; I8-L420 HydrophobicContact CD1-CG 3.79Å; I8-L420 HydrophobicContact CG1-CB 3.68Å; I8-L420 HydrophobicContact CG2-CB 3.56Å; I8-L420 VanDerWaalsContact CG2-N 3.35Å; L420-A422 VanDerWaalsContact CD1-C 3.49Å; L420-A422 VanDerWaalsContact CD1-O 3.25Å; L420-A422 WeakPolarHBondContact CD1-O 3.36Å; L420-Q423 HydrophobicContact CD1-CG 3.77Å; L420-Q423 HydrophobicContact CD2-CG 4.44Å; L420-Y433 HydrophobicContact CD1-CD2 3.97Å; L420-Y433 HydrophobicContact CD1-CE2 4.19Å; L420-Y433 HydrophobicContact CD2-CD1 3.94Å; L420-Y433 HydrophobicContact CD2-CD2 3.49Å; L420-Y433 VanDerWaalsContact CD2-CD2 3.49Å; L420-Y433 HydrophobicContact CD2-CE1 3.9Å; L420-Y433 HydrophobicContact CD2-CE2 3.42Å; L420-Y433 VanDerWaalsContact CD2-CE2 3.42Å; L420-Y433 HydrophobicContact CD2-CG 3.73Å; L420-Y433 HydrophobicContact CG-CD1 4.41Å; L420-Y433 HydrophobicContact CG-CD2 3.45Å; L420-Y433 VanDerWaalsContact CG-CD2 3.45Å; L420-Y433 HydrophobicContact CG-CE2 3.87Å; L420-Y433 HydrophobicContact CG-CG 3.73Å |
| 421 | R | 77.7 | Confident | 78.5 | Confident | 155 Ų | 155 | 43.1 Ų | 43.1 | 59% | 0.585 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -36.9 | 171.7 | -174.3 | -179.6 | 173.4 | -157.9 | -4.6 | 112.1 | Q413 R419 Y433 | Q413-R421 PolarHBondContact O-N 3.02Å; R419-R421 PolarHBondContact O-N 2.86Å; R421-Y433 PolarHBondContact O-N 2.67Å |
| 422 | A | 84.5 | Confident | 78.3 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 146.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S412 Q413 L420 T430 T431 | S412-A422 CarbonylContact C-O 3.58Å; S412-A422 WeakPolarHBondContact CA-O 3.5Å; Q413-A422 HydrophobicContact CB-CB 4.24Å; Q413-A422 HydrophobicContact CG-CB 4.41Å; Q413-A422 PolarHBondContact N-O 2.81Å; Q413-A422 PolarHBondContact O-N 2.8Å; L420-A422 VanDerWaalsContact CD1-C 3.49Å; L420-A422 VanDerWaalsContact CD1-O 3.25Å; L420-A422 WeakPolarHBondContact CD1-O 3.36Å; A422-T430 HydrophobicContact CB-CG2 3.85Å; A422-T431 CarbonylContact C-O 3.57Å; A422-T431 VanDerWaalsContact CA-O 3.26Å; A422-T431 WeakPolarHBondContact CA-O 3.39Å |
| 423 | Q | 83.2 | Confident | 78.2 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.2 | 166.8 | -93.4 | 159 | -6 | 0 | 0 | 109.6 | Q411 S412 L420 T430 T431 Y433 | Q411-Q423 CarbonylContact O-C 3.52Å; Q411-Q423 VanDerWaalsContact O-CA 3.24Å; Q411-Q423 WeakPolarHBondContact O-CA 3.4Å; S412-Q423 WeakPolarHBondContact OG-CG 3.4Å; S412-Q423 PolarHBondContact OG-NE2 3.28Å; L420-Q423 HydrophobicContact CD1-CG 3.77Å; L420-Q423 HydrophobicContact CD2-CG 4.44Å; Q423-T430 CarbonylContact O-C 3.56Å; Q423-T430 VanDerWaalsContact O-CA 3.29Å; Q423-T430 WeakPolarHBondContact O-CA 3.45Å; Q423-T431 PolarHBondContact N-O 2.78Å; Q423-T431 PolarHBondContact O-N 2.77Å; Q423-Y433 HydrophobicContact CB-CE2 4.13Å; Q423-Y433 PolarHBondContact OE1-OH 3.13Å |
| 424 | T | 90.7 | Very high | 78.2 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.6 | 173.2 | -45.7 | 0 | 0 | 0 | 0 | 108.3 | T410 Q411 G428 R429 T430 | T410-T424 CarbonylContact C-O 3.54Å; Q411-T424 PolarHBondContact N-O 2.92Å; Q411-T424 PolarHBondContact O-N 3.36Å; T424-G428 VanDerWaalsContact CG2-CA 3.48Å; T424-G428 VanDerWaalsContact CG2-O 3.32Å; T424-G428 WeakPolarHBondContact CG2-O 3.36Å; T424-R429 CarbonylContact C-O 3.53Å; T424-R429 VanDerWaalsContact CA-O 3.25Å; T424-R429 WeakPolarHBondContact CA-O 3.38Å; T424-T430 WeakPolarHBondContact CG2-OG1 3.39Å; T424-T430 PolarHBondContact OG1-OG1 2.96Å |
| 425 | D | 85.8 | Confident | 78.1 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | trans | -78.1 | -178.5 | 176.2 | 70.7 | 15.3 | 0 | 0 | 0 | 112.4 | A427 G428 R429 | D425-A427 PolarHBondContact O-N 3.19Å; D425-A427 WeakPolarHBondContact OD1-CA 3.45Å; D425-A427 WeakPolarHBondContact OD1-CB 3.23Å; D425-A427 PolarHBondContact OD1-N 3.12Å; D425-G428 PolarHBondContact O-N 2.93Å; D425-G428 PolarHBondContact OD1-N 3.49Å; D425-G428 VanDerWaalsContact OD1-N 3.14Å; D425-R429 PolarHBondContact N-O 3.45Å; D425-R429 PolarHBondContact OD1-N 3.19Å; D425-R429 IonicContact OD1-NE 3.46Å; D425-R429 IonicContact OD2-CZ 3.22Å; D425-R429 IonicContact OD2-NE 3.97Å; D425-R429 PolarHBondContact OD2-NE 3.44Å; D425-R429 IonicContact OD2-NH2 2.74Å; D425-R429 PolarHBondContact OD2-NH2 2.6Å | ||
| 426 | A | 87.8 | Confident | 78.4 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V409 T410 L670 | V409-A426 WeakPolarHBondContact O-CA 3.42Å; T410-A426 HydrophobicContact CG2-CB 4.03Å; A426-L670 HydrophobicContact CB-CB 4.18Å; A426-L670 WeakPolarHBondContact CB-O 3.23Å |
| 427 | A | 86.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 44 Ų | 44 | 49% | 0.488 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D425 R429 T671 | D425-A427 PolarHBondContact O-N 3.19Å; D425-A427 WeakPolarHBondContact OD1-CA 3.45Å; D425-A427 WeakPolarHBondContact OD1-CB 3.23Å; D425-A427 PolarHBondContact OD1-N 3.12Å; A427-R429 HydrophobicContact CB-CG 4.16Å; A427-T671 HydrophobicContact CB-CG2 3.57Å |
| 428 | G | 88.2 | Confident | 79.1 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 55% | 0.546 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 88.9 | 8.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T424 D425 | T424-G428 VanDerWaalsContact CG2-CA 3.48Å; T424-G428 VanDerWaalsContact CG2-O 3.32Å; T424-G428 WeakPolarHBondContact CG2-O 3.36Å; D425-G428 PolarHBondContact O-N 2.93Å; D425-G428 PolarHBondContact OD1-N 3.49Å; D425-G428 VanDerWaalsContact OD1-N 3.14Å |
| 429 | R | 86.9 | Confident | 79.4 | Confident | 35 Ų | 35 | 46 Ų | 46 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | trans | -88.9 | 132.4 | -176.9 | -54.7 | 177.7 | -57.7 | 169.1 | 13.3 | 110 | T424 D425 A427 P448 E690 D692 | T424-R429 CarbonylContact C-O 3.53Å; T424-R429 VanDerWaalsContact CA-O 3.25Å; T424-R429 WeakPolarHBondContact CA-O 3.38Å; D425-R429 PolarHBondContact N-O 3.45Å; D425-R429 PolarHBondContact OD1-N 3.19Å; D425-R429 IonicContact OD1-NE 3.46Å; D425-R429 IonicContact OD2-CZ 3.22Å; D425-R429 IonicContact OD2-NE 3.97Å; D425-R429 PolarHBondContact OD2-NE 3.44Å; D425-R429 IonicContact OD2-NH2 2.74Å; D425-R429 PolarHBondContact OD2-NH2 2.6Å; A427-R429 HydrophobicContact CB-CG 4.16Å; R429-P448 HydrophobicContact CB-CB 3.91Å; R429-P448 HydrophobicContact CB-CG 3.88Å; R429-E690 VanDerWaalsContact CD-OE2 3.28Å; R429-E690 WeakPolarHBondContact CD-OE2 3.41Å; R429-D692 IonicContact CZ-OD1 2.84Å; R429-D692 IonicContact CZ-OD2 3.11Å; R429-D692 VanDerWaalsContact NH1-CG 3.3Å; R429-D692 IonicContact NH1-OD1 2.75Å; R429-D692 PolarHBondContact NH1-OD1 3.26Å; R429-D692 IonicContact NH1-OD2 3.04Å; R429-D692 IonicContact NH2-OD1 3.73Å; R429-D692 PolarHBondContact NH2-OD1 2.82Å; R429-D692 IonicContact NH2-OD2 2.74Å; R429-D692 PolarHBondContact NH2-OD2 3.48Å | ||
| 430 | T | 89.5 | Confident | 79.4 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.9 | -169.5 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | A422 Q423 T424 E432 P448 | A422-T430 HydrophobicContact CB-CG2 3.85Å; Q423-T430 CarbonylContact O-C 3.56Å; Q423-T430 VanDerWaalsContact O-CA 3.29Å; Q423-T430 WeakPolarHBondContact O-CA 3.45Å; T424-T430 WeakPolarHBondContact CG2-OG1 3.39Å; T424-T430 PolarHBondContact OG1-OG1 2.96Å; T430-E432 HydrophobicContact CG2-CG 4.41Å; T430-P448 WeakPolarHBondContact O-CA 3.47Å |
| 431 | T | 81 | Confident | 79.6 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.7 | 167 | -59.1 | 0 | 0 | 0 | 0 | 109 | A422 Q423 Y433 I445 T446 | A422-T431 CarbonylContact C-O 3.57Å; A422-T431 VanDerWaalsContact CA-O 3.26Å; A422-T431 WeakPolarHBondContact CA-O 3.39Å; Q423-T431 PolarHBondContact N-O 2.78Å; Q423-T431 PolarHBondContact O-N 2.77Å; T431-Y433 HydrophobicContact CG2-CD2 4.44Å; T431-Y433 HydrophobicContact CG2-CE2 3.81Å; T431-I445 HydrophobicContact CG2-CG2 3.72Å; T431-T446 CarbonylContact C-O 3.58Å; T431-T446 WeakPolarHBondContact CA-O 3.44Å; T431-T446 WeakPolarHBondContact CG2-O 3.38Å |
| 432 | E | 86.9 | Confident | 79.4 | Confident | 106 Ų | 106 | 40.6 Ų | 40.6 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 143 | 179.6 | -60.4 | -170.9 | 155.5 | 0 | 0 | 111.8 | T430 I445 T446 | T430-E432 HydrophobicContact CG2-CG 4.41Å; E432-I445 CarbonylContact O-C 3.58Å; E432-I445 VanDerWaalsContact O-CA 3.32Å; E432-I445 WeakPolarHBondContact O-CA 3.47Å; E432-T446 PolarHBondContact N-O 2.8Å; E432-T446 PolarHBondContact O-N 2.82Å |
| 433 | Y | 79.3 | Confident | 79.4 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127 | -178.5 | -60.7 | -99.9 | 0 | 0 | 0 | 108.9 | L420 R421 Q423 T431 P435 I445 | L420-Y433 HydrophobicContact CD1-CD2 3.97Å; L420-Y433 HydrophobicContact CD1-CE2 4.19Å; L420-Y433 HydrophobicContact CD2-CD1 3.94Å; L420-Y433 HydrophobicContact CD2-CD2 3.49Å; L420-Y433 VanDerWaalsContact CD2-CD2 3.49Å; L420-Y433 HydrophobicContact CD2-CE1 3.9Å; L420-Y433 HydrophobicContact CD2-CE2 3.42Å; L420-Y433 VanDerWaalsContact CD2-CE2 3.42Å; L420-Y433 HydrophobicContact CD2-CG 3.73Å; L420-Y433 HydrophobicContact CG-CD1 4.41Å; L420-Y433 HydrophobicContact CG-CD2 3.45Å; L420-Y433 VanDerWaalsContact CG-CD2 3.45Å; L420-Y433 HydrophobicContact CG-CE2 3.87Å; L420-Y433 HydrophobicContact CG-CG 3.73Å; R421-Y433 PolarHBondContact O-N 2.67Å; Q423-Y433 HydrophobicContact CB-CE2 4.13Å; Q423-Y433 PolarHBondContact OE1-OH 3.13Å; T431-Y433 HydrophobicContact CG2-CD2 4.44Å; T431-Y433 HydrophobicContact CG2-CE2 3.81Å; Y433-P435 WeakPolarHBondContact O-CD 3.48Å; Y433-I445 HydrophobicContact CD1-CD1 4.09Å; Y433-I445 HydrophobicContact CD1-CG1 3.86Å; Y433-I445 HydrophobicContact CE1-CD1 4.04Å; Y433-I445 HydrophobicContact CE1-CG1 4.24Å; Y433-I445 HydrophobicContact CE1-CG2 4.48Å |
| 434 | S | 84 | Confident | 79.5 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 86.4 | -177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | T443 R444 | S434-T443 PolarHBondContact O-N 3.36Å; S434-T443 PolarHBondContact O-OG1 2.75Å; S434-R444 PolarHBondContact N-O 2.79Å |
| 435 | P | 70.7 | Confident | 79.2 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 135.6 | 173.3 | 28.4 | -33.7 | 0 | 0 | 0 | 111.4 | R419 Y433 L441 I442 | R419-P435 HydrophobicContact CB-CG 4.16Å; Y433-P435 WeakPolarHBondContact O-CD 3.48Å; P435-L441 CarbonylContact C-O 3.35Å; P435-L441 WeakPolarHBondContact CA-O 3.32Å; P435-I442 HydrophobicContact CB-CD1 4.09Å |
| 436 | D | 74.4 | Confident | 79.2 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | trans | -58.6 | 138.2 | 169.1 | 165.9 | -117.5 | 0 | 0 | 0 | 110.7 | R419 V438 T439 G440 L441 T443 | R419-D436 PolarHBondContact NH1-O 2.92Å; D436-V438 VanDerWaalsContact C-N 3.25Å; D436-V438 PolarHBondContact O-N 2.83Å; D436-V438 PolarHBondContact OD1-N 2.73Å; D436-T439 WeakPolarHBondContact CB-OG1 3.33Å; D436-T439 WeakPolarHBondContact OD1-CB 3.28Å; D436-T439 WeakPolarHBondContact OD1-CG2 3.26Å; D436-T439 PolarHBondContact OD1-N 3.17Å; D436-T439 PolarHBondContact OD1-OG1 2.83Å; D436-G440 WeakPolarHBondContact O-CA 3.38Å; D436-G440 PolarHBondContact O-N 2.7Å; D436-L441 PolarHBondContact N-O 3.33Å; D436-T443 HydrophobicContact CB-CG2 3.71Å | ||
| 437 | V | 68.3 | Low | 78.8 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.8 | -172.9 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 438 | V | 65.2 | Low | 78.7 | Confident | 75 Ų | 75 | 47.2 Ų | 47.2 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -42.4 | -172.4 | -167.6 | 0 | 0 | 0 | 0 | 112.9 | D436 | D436-V438 VanDerWaalsContact C-N 3.25Å; D436-V438 PolarHBondContact O-N 2.83Å; D436-V438 PolarHBondContact OD1-N 2.73Å |
| 439 | T | 66 | Low | 78.5 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -28 | -177.7 | 62 | 0 | 0 | 0 | 0 | 113.3 | D436 L441 | D436-T439 WeakPolarHBondContact CB-OG1 3.33Å; D436-T439 WeakPolarHBondContact OD1-CB 3.28Å; D436-T439 WeakPolarHBondContact OD1-CG2 3.26Å; D436-T439 PolarHBondContact OD1-N 3.17Å; D436-T439 PolarHBondContact OD1-OG1 2.83Å; T439-L441 VanDerWaalsContact C-N 3.25Å; T439-L441 PolarHBondContact O-N 3Å; T439-L441 PolarHBondContact OG1-N 2.99Å |
| 440 | G | 64.6 | Low | 78.4 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | 78.2 | -0.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D436 | D436-G440 WeakPolarHBondContact O-CA 3.38Å; D436-G440 PolarHBondContact O-N 2.7Å | ||
| 441 | L | 70.2 | Confident | 78.1 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | trans | -71.7 | 142.3 | 177.8 | -55.1 | 178.6 | 0 | 0 | 0 | 110.9 | P435 D436 T439 T443 Y457 N461 L1350 | P435-L441 CarbonylContact C-O 3.35Å; P435-L441 WeakPolarHBondContact CA-O 3.32Å; D436-L441 PolarHBondContact N-O 3.33Å; T439-L441 VanDerWaalsContact C-N 3.25Å; T439-L441 PolarHBondContact O-N 3Å; T439-L441 PolarHBondContact OG1-N 2.99Å; L441-T443 PolarHBondContact O-N 3.49Å; L441-Y457 HydrophobicContact CB-CD2 3.81Å; L441-Y457 HydrophobicContact CB-CE2 3.6Å; L441-Y457 HydrophobicContact CB-CG 4.44Å; L441-Y457 HydrophobicContact CD1-CD1 3.84Å; L441-Y457 HydrophobicContact CD1-CD2 3.71Å; L441-Y457 HydrophobicContact CD1-CE1 4.33Å; L441-Y457 HydrophobicContact CD1-CE2 4.19Å; L441-Y457 HydrophobicContact CD1-CG 3.52Å; L441-Y457 HydrophobicContact CG-CD2 4.43Å; L441-N461 HydrophobicContact CD1-CB 3.86Å; L441-L1350 HydrophobicContact CD1-CD2 4.26Å; L441-L1350 HydrophobicContact CD2-CD2 3.73Å; L441-L1350 HydrophobicContact CG-CD2 4.4Å | ||
| 442 | I | 74.1 | Confident | 78.2 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 116.7 | 177.3 | -59.2 | -52.7 | 0 | 0 | 0 | 109.5 | P435 R444 I445 F455 Y457 | P435-I442 HydrophobicContact CB-CD1 4.09Å; I442-R444 WeakPolarHBondContact CG2-O 3.25Å; I442-I445 HydrophobicContact CG2-CD1 4.18Å; I442-I445 HydrophobicContact CG2-CG1 3.61Å; I442-F455 HydrophobicContact CG2-CD2 4.3Å; I442-F455 HydrophobicContact CG2-CE2 4.19Å; I442-F455 VanDerWaalsContact O-CB 3.24Å; I442-F455 WeakPolarHBondContact O-CB 3.42Å; I442-F455 WeakPolarHBondContact O-CG 3.24Å; I442-Y457 VanDerWaalsContact O-CE2 3.22Å; I442-Y457 WeakPolarHBondContact O-CE2 3.44Å; I442-Y457 PolarHBondContact O-OH 2.92Å |
| 443 | T | 84.4 | Confident | 77.9 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -19.9 | 179 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | S434 D436 L441 A454 F455 | S434-T443 PolarHBondContact O-N 3.36Å; S434-T443 PolarHBondContact O-OG1 2.75Å; D436-T443 HydrophobicContact CB-CG2 3.71Å; L441-T443 PolarHBondContact O-N 3.49Å; T443-A454 WeakPolarHBondContact O-CA 3.47Å; T443-F455 PolarHBondContact O-N 2.78Å |
| 444 | R | 86.1 | Confident | 78.1 | Confident | 115 Ų | 115 | 42.2 Ų | 42.2 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 141.9 | 176.4 | 179.5 | -176.5 | 174 | 146.3 | 2.6 | 110.4 | S434 I442 T446 A452 S453 | S434-R444 PolarHBondContact N-O 2.79Å; I442-R444 WeakPolarHBondContact CG2-O 3.25Å; R444-T446 PolarHBondContact NE-OG1 2.81Å; R444-T446 VanDerWaalsContact NE-OG1 3.11Å; R444-A452 HydrophobicContact CG-CB 4.21Å; R444-S453 VanDerWaalsContact CA-O 3.26Å; R444-S453 WeakPolarHBondContact CA-O 3.27Å; R444-S453 VanDerWaalsContact CG-O 3.27Å; R444-S453 WeakPolarHBondContact CG-O 3.39Å |
| 445 | I | 83.2 | Confident | 78.1 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.7 | 165 | -62.9 | 175.5 | 0 | 0 | 0 | 107 | T431 E432 Y433 I442 A452 S453 F455 E1354 | T431-I445 HydrophobicContact CG2-CG2 3.72Å; E432-I445 CarbonylContact O-C 3.58Å; E432-I445 VanDerWaalsContact O-CA 3.32Å; E432-I445 WeakPolarHBondContact O-CA 3.47Å; Y433-I445 HydrophobicContact CD1-CD1 4.09Å; Y433-I445 HydrophobicContact CD1-CG1 3.86Å; Y433-I445 HydrophobicContact CE1-CD1 4.04Å; Y433-I445 HydrophobicContact CE1-CG1 4.24Å; Y433-I445 HydrophobicContact CE1-CG2 4.48Å; I442-I445 HydrophobicContact CG2-CD1 4.18Å; I442-I445 HydrophobicContact CG2-CG1 3.61Å; I445-A452 CarbonylContact O-C 3.51Å; I445-A452 WeakPolarHBondContact O-CA 3.37Å; I445-A452 VanDerWaalsContact O-CB 3.27Å; I445-A452 WeakPolarHBondContact O-CB 3.15Å; I445-S453 PolarHBondContact N-O 2.64Å; I445-S453 PolarHBondContact O-N 3.1Å; I445-F455 HydrophobicContact CB-CE2 4.36Å; I445-F455 HydrophobicContact CD1-CE2 4.1Å; I445-F455 HydrophobicContact CD1-CZ 3.91Å; I445-F455 HydrophobicContact CG1-CE2 3.87Å; I445-F455 HydrophobicContact CG1-CZ 4.21Å; I445-E1354 HydrophobicContact CD1-CG 4.08Å; I445-E1354 WeakPolarHBondContact CD1-OE1 3.23Å |
| 446 | T | 86.5 | Confident | 79 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.8 | 175.5 | -50.8 | 0 | 0 | 0 | 0 | 108.8 | T431 E432 R444 R451 A452 | T431-T446 CarbonylContact C-O 3.58Å; T431-T446 WeakPolarHBondContact CA-O 3.44Å; T431-T446 WeakPolarHBondContact CG2-O 3.38Å; E432-T446 PolarHBondContact N-O 2.8Å; E432-T446 PolarHBondContact O-N 2.82Å; R444-T446 PolarHBondContact NE-OG1 2.81Å; R444-T446 VanDerWaalsContact NE-OG1 3.11Å; T446-R451 CarbonylContact C-O 3.46Å; T446-R451 WeakPolarHBondContact CA-O 3.36Å; T446-R451 WeakPolarHBondContact CG2-O 3.26Å; T446-A452 HydrophobicContact CG2-CB 4.48Å |
| 447 | T | 79.8 | Confident | 79.5 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | trans | -77.9 | 163.7 | 177.5 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | D449 G450 R451 | T447-D449 WeakPolarHBondContact CB-OD1 3.41Å; T447-D449 PolarHBondContact O-N 3.27Å; T447-D449 VanDerWaalsContact O-N 3.12Å; T447-D449 PolarHBondContact OG1-OD1 2.85Å; T447-G450 PolarHBondContact O-N 3.24Å; T447-R451 PolarHBondContact N-O 3.39Å; T447-R451 PolarHBondContact OG1-O 2.87Å | ||
| 448 | P | 83.4 | Confident | 80.3 | Confident | 50 Ų | 50 | 42 Ų | 42 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25 | -176 | -26 | 35 | 0 | 0 | 0 | 115.4 | R429 T430 G450 | R429-P448 HydrophobicContact CB-CB 3.91Å; R429-P448 HydrophobicContact CB-CG 3.88Å; T430-P448 WeakPolarHBondContact O-CA 3.47Å; P448-G450 PolarHBondContact O-N 2.91Å |
| 449 | D | 83.4 | Confident | 80.9 | Confident | 51 Ų | 51 | 44.1 Ų | 44.1 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 1.8 | 174.3 | 69 | -12.8 | 0 | 0 | 0 | 114.1 | T447 R451 A691 | T447-D449 WeakPolarHBondContact CB-OD1 3.41Å; T447-D449 PolarHBondContact O-N 3.27Å; T447-D449 VanDerWaalsContact O-N 3.12Å; T447-D449 PolarHBondContact OG1-OD1 2.85Å; D449-R451 VanDerWaalsContact C-N 3.33Å; D449-R451 PolarHBondContact O-N 2.79Å; D449-R451 PolarHBondContact OD1-N 2.78Å; D449-R451 IonicContact OD1-NE 3.14Å; D449-R451 IonicContact OD2-CZ 2.6Å; D449-R451 IonicContact OD2-NE 2.78Å; D449-R451 PolarHBondContact OD2-NE 2.83Å; D449-R451 IonicContact OD2-NH2 3.82Å; D449-R451 PolarHBondContact OD2-NH2 3.37Å; D449-A691 HydrophobicContact CB-CB 4.04Å; D449-A691 WeakPolarHBondContact OD2-CB 3.25Å |
| 450 | G | 86.2 | Confident | 81.4 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 51% | 0.505 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 84.2 | -4.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T447 P448 | T447-G450 PolarHBondContact O-N 3.24Å; P448-G450 PolarHBondContact O-N 2.91Å |
| 451 | R | 82.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 44 Ų | 44 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | trans | -72.1 | 159.6 | 171.8 | -65.9 | -174 | -63.3 | 120.2 | 13.5 | 110.5 | T446 T447 D449 P469 | T446-R451 CarbonylContact C-O 3.46Å; T446-R451 WeakPolarHBondContact CA-O 3.36Å; T446-R451 WeakPolarHBondContact CG2-O 3.26Å; T447-R451 PolarHBondContact N-O 3.39Å; T447-R451 PolarHBondContact OG1-O 2.87Å; D449-R451 VanDerWaalsContact C-N 3.33Å; D449-R451 PolarHBondContact O-N 2.79Å; D449-R451 PolarHBondContact OD1-N 2.78Å; D449-R451 IonicContact OD1-NE 3.14Å; D449-R451 IonicContact OD2-CZ 2.6Å; D449-R451 IonicContact OD2-NE 2.78Å; D449-R451 PolarHBondContact OD2-NE 2.83Å; D449-R451 IonicContact OD2-NH2 3.82Å; D449-R451 PolarHBondContact OD2-NH2 3.37Å; R451-P469 HydrophobicContact CB-CB 4.16Å | ||
| 452 | A | 83.4 | Confident | 82.7 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 146.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R444 I445 T446 | R444-A452 HydrophobicContact CG-CB 4.21Å; I445-A452 CarbonylContact O-C 3.51Å; I445-A452 WeakPolarHBondContact O-CA 3.37Å; I445-A452 VanDerWaalsContact O-CB 3.27Å; I445-A452 WeakPolarHBondContact O-CB 3.15Å; T446-A452 HydrophobicContact CG2-CB 4.48Å |
| 453 | S | 80.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 148.9 | 163.6 | -32.1 | 0 | 0 | 0 | 0 | 110.5 | R444 I445 F455 T467 V1357 | R444-S453 VanDerWaalsContact CA-O 3.26Å; R444-S453 WeakPolarHBondContact CA-O 3.27Å; R444-S453 VanDerWaalsContact CG-O 3.27Å; R444-S453 WeakPolarHBondContact CG-O 3.39Å; I445-S453 PolarHBondContact N-O 2.64Å; I445-S453 PolarHBondContact O-N 3.1Å; S453-F455 VanDerWaalsContact CB-CE2 3.41Å; S453-T467 VanDerWaalsContact CA-O 3.31Å; S453-T467 WeakPolarHBondContact CA-O 3.25Å; S453-V1357 WeakPolarHBondContact OG-CG1 3.46Å; S453-V1357 WeakPolarHBondContact OG-CG2 3.3Å |
| 454 | A | 83.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T443 Y456 A466 T467 | T443-A454 WeakPolarHBondContact O-CA 3.47Å; A454-Y456 HydrophobicContact CB-CE2 3.94Å; A454-A466 CarbonylContact O-C 3.49Å; A454-A466 VanDerWaalsContact O-CA 3.31Å; A454-A466 WeakPolarHBondContact O-CA 3.24Å; A454-T467 PolarHBondContact N-O 3.18Å; A454-T467 PolarHBondContact O-N 2.9Å |
| 455 | F | 84.7 | Confident | 83.7 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.5 | -175.6 | -49.5 | -105.7 | 0 | 0 | 0 | 110.1 | I442 T443 I445 S453 Y457 L463 A1353 E1354 | I442-F455 HydrophobicContact CG2-CD2 4.3Å; I442-F455 HydrophobicContact CG2-CE2 4.19Å; I442-F455 VanDerWaalsContact O-CB 3.24Å; I442-F455 WeakPolarHBondContact O-CB 3.42Å; I442-F455 WeakPolarHBondContact O-CG 3.24Å; T443-F455 PolarHBondContact O-N 2.78Å; I445-F455 HydrophobicContact CB-CE2 4.36Å; I445-F455 HydrophobicContact CD1-CE2 4.1Å; I445-F455 HydrophobicContact CD1-CZ 3.91Å; I445-F455 HydrophobicContact CG1-CE2 3.87Å; I445-F455 HydrophobicContact CG1-CZ 4.21Å; S453-F455 VanDerWaalsContact CB-CE2 3.41Å; F455-Y457 HydrophobicContact CB-CE2 3.76Å; F455-Y457 WeakPolarHBondContact CB-OH 3.45Å; F455-L463 HydrophobicContact CB-CD1 4.16Å; F455-L463 HydrophobicContact CD1-CD1 4.32Å; F455-A1353 HydrophobicContact CD1-CB 3.22Å; F455-A1353 HydrophobicContact CE1-CB 3.27Å; F455-A1353 HydrophobicContact CG-CB 4.44Å; F455-E1354 HydrophobicContact CE1-CB 4.36Å; F455-E1354 HydrophobicContact CE1-CG 3.43Å; F455-E1354 VanDerWaalsContact CE1-CG 3.43Å; F455-E1354 HydrophobicContact CZ-CG 3.6Å |
| 456 | Y | 87.9 | Confident | 83.7 | Confident | 128 Ų | 128 | 35.2 Ų | 35.2 | 50% | 0.502 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.6 | -177.1 | -60.4 | -81.7 | 0 | 0 | 0 | 110.6 | A454 L463 T464 S465 | A454-Y456 HydrophobicContact CB-CE2 3.94Å; Y456-L463 CarbonylContact O-C 3.55Å; Y456-L463 WeakPolarHBondContact O-CA 3.13Å; Y456-T464 PolarHBondContact O-N 3.09Å; Y456-T464 PolarHBondContact O-OG1 2.69Å; Y456-S465 PolarHBondContact N-O 3.46Å; Y456-S465 PolarHBondContact O-N 3.24Å |
| 457 | Y | 85.3 | Confident | 83.8 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 18% | 0.18 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.1 | -178.4 | -49.4 | -83.7 | 0 | 0 | 0 | 111.6 | L441 I442 F455 Q462 L463 L1350 | L441-Y457 HydrophobicContact CB-CD2 3.81Å; L441-Y457 HydrophobicContact CB-CE2 3.6Å; L441-Y457 HydrophobicContact CB-CG 4.44Å; L441-Y457 HydrophobicContact CD1-CD1 3.84Å; L441-Y457 HydrophobicContact CD1-CD2 3.71Å; L441-Y457 HydrophobicContact CD1-CE1 4.33Å; L441-Y457 HydrophobicContact CD1-CE2 4.19Å; L441-Y457 HydrophobicContact CD1-CG 3.52Å; L441-Y457 HydrophobicContact CG-CD2 4.43Å; I442-Y457 VanDerWaalsContact O-CE2 3.22Å; I442-Y457 WeakPolarHBondContact O-CE2 3.44Å; I442-Y457 PolarHBondContact O-OH 2.92Å; F455-Y457 HydrophobicContact CB-CE2 3.76Å; F455-Y457 WeakPolarHBondContact CB-OH 3.45Å; Y457-Q462 CarbonylContact C-O 3.49Å; Y457-Q462 WeakPolarHBondContact CA-O 3.34Å; Y457-L463 HydrophobicContact CD1-CB 4.06Å; Y457-L463 HydrophobicContact CD1-CD1 4.13Å; Y457-L463 HydrophobicContact CE1-CB 4Å; Y457-L463 HydrophobicContact CE1-CD1 3.57Å; Y457-L463 HydrophobicContact CE1-CG 4.43Å; Y457-L1350 HydrophobicContact CD1-CD2 3.93Å; Y457-L1350 HydrophobicContact CD1-CG 4.17Å; Y457-L1350 HydrophobicContact CE1-CD2 3.25Å; Y457-L1350 HydrophobicContact CE1-CG 3.71Å |
| 458 | N | 86.1 | Confident | 83.5 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | trans | -78.5 | 175.7 | 167.9 | 71.1 | 11.8 | 0 | 0 | 0 | 111.6 | H460 N461 Q462 T464 | N458-H460 PolarHBondContact O-N 3.23Å; N458-H460 VanDerWaalsContact O-N 3.13Å; N458-H460 WeakPolarHBondContact OD1-CA 3.26Å; N458-H460 WeakPolarHBondContact OD1-CB 3.22Å; N458-H460 PolarHBondContact OD1-N 2.87Å; N458-N461 PolarHBondContact O-N 3.26Å; N458-N461 PolarHBondContact OD1-N 2.84Å; N458-Q462 PolarHBondContact N-O 2.77Å; N458-Q462 PolarHBondContact ND2-OE1 3.16Å; N458-Q462 WeakPolarHBondContact OD1-CB 3.38Å; N458-Q462 PolarHBondContact OD1-N 3.36Å; N458-T464 HydrophobicContact CB-CG2 3.79Å | ||
| 459 | H | 77.7 | Confident | 83.2 | Confident | 120 Ų | 120 | 33 Ų | 33 | 56% | 0.556 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.8 | 179 | 58.8 | -95.5 | 0 | 0 | 0 | 114.4 | N461 | H459-N461 VanDerWaalsContact C-N 3.34Š|
| 460 | H | 76.5 | Confident | 83 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 11.6 | 172.4 | -64.2 | 121.5 | 0 | 0 | 0 | 113.5 | P168 Q169 N458 Q462 | P168-H460 HydrophobicContact CB-CB 4.36Å; Q169-H460 HydrophobicContact CG-CB 4.34Å; Q169-H460 PolarHBondContact NE2-O 3.09Å; N458-H460 PolarHBondContact O-N 3.23Å; N458-H460 VanDerWaalsContact O-N 3.13Å; N458-H460 WeakPolarHBondContact OD1-CA 3.26Å; N458-H460 WeakPolarHBondContact OD1-CB 3.22Å; N458-H460 PolarHBondContact OD1-N 2.87Å; H460-Q462 VanDerWaalsContact C-N 3.29Å; H460-Q462 HydrophobicContact CB-CG 4.25Å; H460-Q462 PolarHBondContact O-N 2.91Å |
| 461 | N | 79.2 | Confident | 82.9 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 60.8 | 29.4 | -175.4 | -64.8 | -6.8 | 0 | 0 | 0 | 114 | L441 N458 H459 L1350 | L441-N461 HydrophobicContact CD1-CB 3.86Å; N458-N461 PolarHBondContact O-N 3.26Å; N458-N461 PolarHBondContact OD1-N 2.84Å; H459-N461 VanDerWaalsContact C-N 3.34Å; N461-L1350 VanDerWaalsContact O-CD1 3.31Å; N461-L1350 WeakPolarHBondContact O-CD1 3.47Å |
| 462 | Q | 82.4 | Confident | 83 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -97.4 | 133 | 175 | -55.6 | 171.5 | -58 | 0 | 0 | 110.1 | Y457 N458 H460 T464 Y478 G482 A1349 | Y457-Q462 CarbonylContact C-O 3.49Å; Y457-Q462 WeakPolarHBondContact CA-O 3.34Å; N458-Q462 PolarHBondContact N-O 2.77Å; N458-Q462 PolarHBondContact ND2-OE1 3.16Å; N458-Q462 WeakPolarHBondContact OD1-CB 3.38Å; N458-Q462 PolarHBondContact OD1-N 3.36Å; H460-Q462 VanDerWaalsContact C-N 3.29Å; H460-Q462 HydrophobicContact CB-CG 4.25Å; H460-Q462 PolarHBondContact O-N 2.91Å; Q462-T464 PolarHBondContact O-N 2.82Å; Q462-Y478 HydrophobicContact CB-CD2 3.92Å; Q462-Y478 HydrophobicContact CB-CE2 3.75Å; Q462-Y478 HydrophobicContact CB-CG 4.41Å; Q462-Y478 VanDerWaalsContact NE2-CD1 3.34Å; Q462-G482 VanDerWaalsContact NE2-CA 3.27Å; Q462-G482 PolarHBondContact NE2-O 2.82Å; Q462-A1349 HydrophobicContact CB-CB 4.18Å | ||
| 463 | L | 83.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 119.4 | 173.6 | -175.8 | 88.4 | 0 | 0 | 0 | 110 | F455 Y456 Y457 S465 A466 L474 R476 Y478 A1349 A1353 | F455-L463 HydrophobicContact CB-CD1 4.16Å; F455-L463 HydrophobicContact CD1-CD1 4.32Å; Y456-L463 CarbonylContact O-C 3.55Å; Y456-L463 WeakPolarHBondContact O-CA 3.13Å; Y457-L463 HydrophobicContact CD1-CB 4.06Å; Y457-L463 HydrophobicContact CD1-CD1 4.13Å; Y457-L463 HydrophobicContact CE1-CB 4Å; Y457-L463 HydrophobicContact CE1-CD1 3.57Å; Y457-L463 HydrophobicContact CE1-CG 4.43Å; L463-S465 WeakPolarHBondContact CD1-O 3.47Å; L463-A466 HydrophobicContact CD1-CB 4.34Å; L463-A466 HydrophobicContact CD2-CB 4.12Å; L463-L474 HydrophobicContact CD2-CD2 4.23Å; L463-R476 WeakPolarHBondContact O-CB 3.35Å; L463-Y478 VanDerWaalsContact O-CE2 3.29Å; L463-Y478 WeakPolarHBondContact O-CE2 3.25Å; L463-Y478 PolarHBondContact O-OH 2.84Å; L463-A1349 VanDerWaalsContact CB-C 3.46Å; L463-A1349 HydrophobicContact CB-CB 4.15Å; L463-A1349 WeakPolarHBondContact CB-O 3.17Å; L463-A1349 WeakPolarHBondContact CD2-O 3.27Å; L463-A1353 HydrophobicContact CD1-CB 3.86Å; L463-A1353 HydrophobicContact CD2-CB 3.75Å; L463-A1353 HydrophobicContact CG-CB 4.46Å |
| 464 | T | 91.5 | Very high | 83.3 | Confident | 46 Ų | 46 | 31.9 Ų | 31.9 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -27.7 | 177 | 53.6 | 0 | 0 | 0 | 0 | 113 | Y456 N458 Q462 R475 R476 | Y456-T464 PolarHBondContact O-N 3.09Å; Y456-T464 PolarHBondContact O-OG1 2.69Å; N458-T464 HydrophobicContact CB-CG2 3.79Å; Q462-T464 PolarHBondContact O-N 2.82Å; T464-R475 CarbonylContact O-C 3.41Å; T464-R475 WeakPolarHBondContact O-CA 3.23Å; T464-R476 PolarHBondContact O-N 2.83Å |
| 465 | S | 91.2 | Very high | 83.7 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 147.7 | 176.6 | 165.9 | 0 | 0 | 0 | 0 | 111 | Y456 L463 E473 L474 | Y456-S465 PolarHBondContact N-O 3.46Å; Y456-S465 PolarHBondContact O-N 3.24Å; L463-S465 WeakPolarHBondContact CD1-O 3.47Å; S465-E473 WeakPolarHBondContact CB-OE1 3.33Å; S465-E473 VanDerWaalsContact OG-CD 3.3Å; S465-E473 VanDerWaalsContact OG-CG 3.25Å; S465-E473 WeakPolarHBondContact OG-CG 3.48Å; S465-E473 PolarHBondContact OG-OE1 2.93Å; S465-L474 CarbonylContact C-O 3.47Å; S465-L474 VanDerWaalsContact CA-O 3.22Å; S465-L474 WeakPolarHBondContact CA-O 3.3Å |
| 466 | A | 83.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | A454 L463 E473 L474 A1353 | A454-A466 CarbonylContact O-C 3.49Å; A454-A466 VanDerWaalsContact O-CA 3.31Å; A454-A466 WeakPolarHBondContact O-CA 3.24Å; L463-A466 HydrophobicContact CD1-CB 4.34Å; L463-A466 HydrophobicContact CD2-CB 4.12Å; A466-E473 CarbonylContact O-C 3.47Å; A466-E473 VanDerWaalsContact O-CA 3.29Å; A466-E473 WeakPolarHBondContact O-CA 3.48Å; A466-L474 HydrophobicContact CB-CB 4.31Å; A466-L474 HydrophobicContact CB-CD2 4.5Å; A466-L474 PolarHBondContact N-O 3.08Å; A466-L474 PolarHBondContact O-N 3.31Å; A466-A1353 HydrophobicContact CB-CB 3.22Å |
| 467 | T | 87.7 | Confident | 84.5 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.6 | 179.4 | -43.7 | 0 | 0 | 0 | 0 | 110.2 | S453 A454 L472 | S453-T467 VanDerWaalsContact CA-O 3.31Å; S453-T467 WeakPolarHBondContact CA-O 3.25Å; A454-T467 PolarHBondContact N-O 3.18Å; A454-T467 PolarHBondContact O-N 2.9Å; T467-L472 CarbonylContact C-O 3.59Å; T467-L472 VanDerWaalsContact CA-O 3.29Å; T467-L472 WeakPolarHBondContact CA-O 3.43Å |
| 468 | G | 74.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | trans | -78.3 | 173 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | D470 G471 L472 | G468-D470 WeakPolarHBondContact CA-OD1 3.41Å; G468-D470 PolarHBondContact O-N 3.26Å; G468-G471 PolarHBondContact O-N 2.61Å; G468-L472 PolarHBondContact N-O 3.1Å | ||
| 469 | P | 77.2 | Confident | 84.9 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.5 | 172.9 | -24.4 | 35.9 | 0 | 0 | 0 | 114.5 | R451 G471 V1357 Y1361 | R451-P469 HydrophobicContact CB-CB 4.16Å; P469-G471 VanDerWaalsContact C-N 3.29Å; P469-V1357 VanDerWaalsContact CD-CA 3.42Å; P469-V1357 VanDerWaalsContact CD-O 3.24Å; P469-V1357 WeakPolarHBondContact CD-O 3.36Å; P469-V1357 HydrophobicContact CG-CB 4.36Å; P469-V1357 HydrophobicContact CG-CG1 3.61Å; P469-V1357 WeakPolarHBondContact CG-O 3.27Å; P469-Y1361 HydrophobicContact CB-CD2 3.67Å; P469-Y1361 HydrophobicContact CB-CE2 3.97Å; P469-Y1361 HydrophobicContact CB-CG 4.46Å; P469-Y1361 HydrophobicContact CG-CD2 4.11Å |
| 470 | D | 79.5 | Confident | 85.1 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -21.9 | 172.3 | 18 | 40.9 | 0 | 0 | 0 | 112.1 | G468 L472 W714 R1360 Y1361 | G468-D470 WeakPolarHBondContact CA-OD1 3.41Å; G468-D470 PolarHBondContact O-N 3.26Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 HydrophobicContact CB-CB 4.1Å; D470-L472 HydrophobicContact CB-CD1 4.08Å; D470-L472 HydrophobicContact CB-CG 3.82Å; D470-L472 WeakPolarHBondContact OD1-CB 3.37Å; D470-L472 PolarHBondContact OD1-N 2.94Å; D470-W714 HydrophobicContact CB-CZ2 4.28Å; D470-R1360 WeakPolarHBondContact OD2-CD 3.37Å; D470-Y1361 WeakPolarHBondContact CA-OH 3.45Å; D470-Y1361 HydrophobicContact CB-CE2 3.55Å; D470-Y1361 WeakPolarHBondContact CB-OH 3.37Å |
| 471 | G | 84.1 | Confident | 85.2 | Confident | 55 Ų | 55 | 39.1 Ų | 39.1 | 57% | 0.567 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 76.7 | 11 | -158 | 0 | 0 | 0 | 0 | 0 | 113.7 | G468 P469 | G468-G471 PolarHBondContact O-N 2.61Å; P469-G471 VanDerWaalsContact C-N 3.29Å |
| 472 | L | 82.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -85.5 | 145.7 | 174.2 | -67.1 | 174.5 | 0 | 0 | 0 | 110.8 | T467 G468 D470 P490 W714 E735 K736 | T467-L472 CarbonylContact C-O 3.59Å; T467-L472 VanDerWaalsContact CA-O 3.29Å; T467-L472 WeakPolarHBondContact CA-O 3.43Å; G468-L472 PolarHBondContact N-O 3.1Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 HydrophobicContact CB-CB 4.1Å; D470-L472 HydrophobicContact CB-CD1 4.08Å; D470-L472 HydrophobicContact CB-CG 3.82Å; D470-L472 WeakPolarHBondContact OD1-CB 3.37Å; D470-L472 PolarHBondContact OD1-N 2.94Å; L472-P490 HydrophobicContact CB-CB 3.91Å; L472-W714 HydrophobicContact CD1-CZ2 4.07Å; L472-E735 WeakPolarHBondContact CD2-O 3.47Å; L472-K736 WeakPolarHBondContact CD1-O 3.32Å | ||
| 473 | E | 87.8 | Confident | 85.6 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.3 | -162.4 | -164.5 | -168 | 163.8 | 0 | 0 | 112.1 | S465 A466 R475 | S465-E473 WeakPolarHBondContact CB-OE1 3.33Å; S465-E473 VanDerWaalsContact OG-CD 3.3Å; S465-E473 VanDerWaalsContact OG-CG 3.25Å; S465-E473 WeakPolarHBondContact OG-CG 3.48Å; S465-E473 PolarHBondContact OG-OE1 2.93Å; A466-E473 CarbonylContact O-C 3.47Å; A466-E473 VanDerWaalsContact O-CA 3.29Å; A466-E473 WeakPolarHBondContact O-CA 3.48Å; E473-R475 HydrophobicContact CG-CG 4.14Å; E473-R475 WeakPolarHBondContact OE1-CG 3.17Å; E473-R475 IonicContact OE1-CZ 3.63Å; E473-R475 IonicContact OE1-NE 3.2Å; E473-R475 PolarHBondContact OE1-NE 3.11Å; E473-R475 IonicContact OE1-NH2 2.72Å; E473-R475 PolarHBondContact OE1-NH2 3.05Å; E473-R475 IonicContact OE2-CZ 2.74Å; E473-R475 VanDerWaalsContact OE2-CZ 3.25Å; E473-R475 IonicContact OE2-NE 3.2Å; E473-R475 PolarHBondContact OE2-NE 2.88Å; E473-R475 IonicContact OE2-NH2 3.22Å; E473-R475 PolarHBondContact OE2-NH2 2.79Å |
| 474 | L | 82.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.4 | 162.7 | 179.1 | 79.6 | 0 | 0 | 0 | 108 | L463 S465 A466 E487 T488 P490 L1352 | L463-L474 HydrophobicContact CD2-CD2 4.23Å; S465-L474 CarbonylContact C-O 3.47Å; S465-L474 VanDerWaalsContact CA-O 3.22Å; S465-L474 WeakPolarHBondContact CA-O 3.3Å; A466-L474 HydrophobicContact CB-CB 4.31Å; A466-L474 HydrophobicContact CB-CD2 4.5Å; A466-L474 PolarHBondContact N-O 3.08Å; A466-L474 PolarHBondContact O-N 3.31Å; L474-E487 HydrophobicContact CD1-CG 4.11Å; L474-T488 CarbonylContact C-O 3.59Å; L474-T488 WeakPolarHBondContact CA-O 3.23Å; L474-P490 HydrophobicContact CB-CG 3.92Å; L474-L1352 HydrophobicContact CD2-CB 4.04Å |
| 475 | R | 92.1 | Very high | 86 | Confident | 129 Ų | 129 | 40.9 Ų | 40.9 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.5 | 171.6 | -63.3 | -176.8 | 174.5 | 157.5 | 6 | 112.4 | T464 E473 E487 T488 | T464-R475 CarbonylContact O-C 3.41Å; T464-R475 WeakPolarHBondContact O-CA 3.23Å; E473-R475 HydrophobicContact CG-CG 4.14Å; E473-R475 WeakPolarHBondContact OE1-CG 3.17Å; E473-R475 IonicContact OE1-CZ 3.63Å; E473-R475 IonicContact OE1-NE 3.2Å; E473-R475 PolarHBondContact OE1-NE 3.11Å; E473-R475 IonicContact OE1-NH2 2.72Å; E473-R475 PolarHBondContact OE1-NH2 3.05Å; E473-R475 IonicContact OE2-CZ 2.74Å; E473-R475 VanDerWaalsContact OE2-CZ 3.25Å; E473-R475 IonicContact OE2-NE 3.2Å; E473-R475 PolarHBondContact OE2-NE 2.88Å; E473-R475 IonicContact OE2-NH2 3.22Å; E473-R475 PolarHBondContact OE2-NH2 2.79Å; R475-E487 CarbonylContact O-C 3.54Å; R475-E487 WeakPolarHBondContact O-CA 3.49Å; R475-T488 PolarHBondContact N-O 2.85Å; R475-T488 PolarHBondContact O-N 3Å |
| 476 | R | 93.9 | Very high | 86.2 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.8 | -178.9 | -68.8 | 179.3 | 166.1 | -171.3 | -29.5 | 111.4 | L463 T464 Y478 L484 Q486 E487 A1349 | L463-R476 WeakPolarHBondContact O-CB 3.35Å; T464-R476 PolarHBondContact O-N 2.83Å; R476-Y478 HydrophobicContact CB-CE2 3.82Å; R476-Y478 WeakPolarHBondContact CD-OH 3.5Å; R476-L484 HydrophobicContact CB-CD1 4.01Å; R476-L484 HydrophobicContact CG-CD1 4.25Å; R476-Q486 WeakPolarHBondContact CA-O 3.01Å; R476-E487 HydrophobicContact CG-CG 4.34Å; R476-E487 IonicContact CZ-OE2 2.67Å; R476-E487 IonicContact NE-OE2 3.17Å; R476-E487 PolarHBondContact NE-OE2 3.4Å; R476-E487 IonicContact NH2-OE2 3.11Å; R476-E487 PolarHBondContact NH2-OE2 3.32Å; R476-A1349 PolarHBondContact NH1-O 2.64Å |
| 477 | E | 95.1 | Very high | 86.5 | Confident | 94 Ų | 94 | 42.9 Ų | 42.9 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139 | 177.4 | -63.2 | 172.5 | -156.5 | 0 | 0 | 110.1 | L484 I485 Q486 | E477-L484 VanDerWaalsContact O-CD1 3.26Å; E477-L484 WeakPolarHBondContact O-CD1 3.46Å; E477-I485 HydrophobicContact CB-CD1 4.44Å; E477-I485 HydrophobicContact CB-CG1 4.01Å; E477-I485 VanDerWaalsContact O-CG1 3.28Å; E477-I485 WeakPolarHBondContact O-CG1 3.28Å; E477-I485 PolarHBondContact O-N 3.41Å; E477-Q486 HydrophobicContact CB-CB 4.11Å; E477-Q486 VanDerWaalsContact CD-NE2 3.26Å; E477-Q486 HydrophobicContact CG-CB 4.42Å; E477-Q486 PolarHBondContact N-O 3.01Å; E477-Q486 PolarHBondContact O-N 2.93Å; E477-Q486 PolarHBondContact OE1-NE2 2.84Å; E477-Q486 PolarHBondContact OE2-NE2 2.72Å |
| 478 | Y | 91.9 | Very high | 86.5 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.1 | -178.9 | -60.7 | -90 | 0 | 0 | 0 | 110.8 | Q462 L463 R476 R483 L484 A1349 | Q462-Y478 HydrophobicContact CB-CD2 3.92Å; Q462-Y478 HydrophobicContact CB-CE2 3.75Å; Q462-Y478 HydrophobicContact CB-CG 4.41Å; Q462-Y478 VanDerWaalsContact NE2-CD1 3.34Å; L463-Y478 VanDerWaalsContact O-CE2 3.29Å; L463-Y478 WeakPolarHBondContact O-CE2 3.25Å; L463-Y478 PolarHBondContact O-OH 2.84Å; R476-Y478 HydrophobicContact CB-CE2 3.82Å; R476-Y478 WeakPolarHBondContact CD-OH 3.5Å; Y478-R483 CarbonylContact C-O 3.58Å; Y478-R483 WeakPolarHBondContact CA-O 3.27Å; Y478-L484 HydrophobicContact CD1-CB 4.16Å; Y478-L484 HydrophobicContact CE1-CB 3.81Å; Y478-L484 HydrophobicContact CE1-CD1 4.05Å; Y478-L484 HydrophobicContact CE1-CG 4.37Å; Y478-A1349 HydrophobicContact CE1-CB 4.42Å; Y478-A1349 WeakPolarHBondContact OH-CB 3.38Å |
| 479 | D | 89.5 | Confident | 86.4 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | trans | -78.9 | 175.4 | 168.7 | 73 | 4.6 | 0 | 0 | 0 | 112.8 | S481 G482 R483 I485 | D479-S481 PolarHBondContact O-N 2.74Å; D479-S481 VanDerWaalsContact OD1-C 3.31Å; D479-S481 WeakPolarHBondContact OD1-CA 3.44Å; D479-S481 WeakPolarHBondContact OD1-CB 3.35Å; D479-S481 PolarHBondContact OD1-N 2.76Å; D479-S481 VanDerWaalsContact OD1-N 3.07Å; D479-G482 WeakPolarHBondContact O-CA 3.39Å; D479-G482 PolarHBondContact O-N 3.01Å; D479-G482 PolarHBondContact OD1-N 2.86Å; D479-R483 PolarHBondContact N-O 2.67Å; D479-R483 WeakPolarHBondContact OD1-CB 3.47Å; D479-R483 PolarHBondContact OD1-N 2.96Å; D479-R483 IonicContact OD1-NE 3.8Å; D479-R483 IonicContact OD2-CZ 2.76Å; D479-R483 IonicContact OD2-NE 3.92Å; D479-R483 PolarHBondContact OD2-NE 2.93Å; D479-R483 IonicContact OD2-NH2 2.68Å; D479-R483 PolarHBondContact OD2-NH2 3.04Å; D479-I485 HydrophobicContact CB-CG2 3.9Å | ||
| 480 | E | 80.9 | Confident | 86.3 | Confident | 192 Ų | 192 | 42.8 Ų | 42.8 | 90% | 0.897 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.3 | 178.1 | -63.1 | 177.3 | 175.4 | 0 | 0 | 113.1 | G482 | E480-G482 VanDerWaalsContact C-N 3.27Š|
| 481 | S | 79.2 | Confident | 85.8 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.1 | 173.4 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | R204 D479 | R204-S481 WeakPolarHBondContact CD-O 3.38Å; R204-S481 PolarHBondContact NE-O 3.17Å; R204-S481 PolarHBondContact NH1-O 2.62Å; D479-S481 PolarHBondContact O-N 2.74Å; D479-S481 VanDerWaalsContact OD1-C 3.31Å; D479-S481 WeakPolarHBondContact OD1-CA 3.44Å; D479-S481 WeakPolarHBondContact OD1-CB 3.35Å; D479-S481 PolarHBondContact OD1-N 2.76Å; D479-S481 VanDerWaalsContact OD1-N 3.07Å |
| 482 | G | 82.9 | Confident | 85.5 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | trans | 70.9 | 25.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | R204 Q462 D479 E480 | R204-G482 VanDerWaalsContact CZ-O 3.27Å; R204-G482 PolarHBondContact NH1-O 3.3Å; R204-G482 PolarHBondContact NH2-O 2.98Å; Q462-G482 VanDerWaalsContact NE2-CA 3.27Å; Q462-G482 PolarHBondContact NE2-O 2.82Å; D479-G482 WeakPolarHBondContact O-CA 3.39Å; D479-G482 PolarHBondContact O-N 3.01Å; D479-G482 PolarHBondContact OD1-N 2.86Å; E480-G482 VanDerWaalsContact C-N 3.27Å | ||
| 483 | R | 87.1 | Confident | 85.1 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | trans | -92 | 142.9 | 173.4 | -59.2 | 177.1 | -67.1 | -170.4 | 5.2 | 110.2 | F205 Y478 D479 I485 Y499 N501 S504 | F205-R483 HydrophobicContact CE1-CG 4.03Å; F205-R483 HydrophobicContact CZ-CG 3.86Å; Y478-R483 CarbonylContact C-O 3.58Å; Y478-R483 WeakPolarHBondContact CA-O 3.27Å; D479-R483 PolarHBondContact N-O 2.67Å; D479-R483 WeakPolarHBondContact OD1-CB 3.47Å; D479-R483 PolarHBondContact OD1-N 2.96Å; D479-R483 IonicContact OD1-NE 3.8Å; D479-R483 IonicContact OD2-CZ 2.76Å; D479-R483 IonicContact OD2-NE 3.92Å; D479-R483 PolarHBondContact OD2-NE 2.93Å; D479-R483 IonicContact OD2-NH2 2.68Å; D479-R483 PolarHBondContact OD2-NH2 3.04Å; R483-I485 PolarHBondContact O-N 2.86Å; R483-Y499 HydrophobicContact CB-CD2 4.3Å; R483-Y499 HydrophobicContact CB-CE1 4.24Å; R483-Y499 HydrophobicContact CB-CE2 3.66Å; R483-Y499 HydrophobicContact CG-CE1 4.4Å; R483-Y499 HydrophobicContact CG-CE2 4.5Å; R483-N501 PolarHBondContact NH1-O 2.91Å; R483-S504 WeakPolarHBondContact CD-O 3.45Å; R483-S504 PolarHBondContact NH1-O 3.04Å | ||
| 484 | L | 89.1 | Confident | 85.1 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.5 | -179.9 | -178 | 43.9 | 0 | 0 | 0 | 108.7 | R476 E477 Y478 Q486 Y497 Y499 E1345 | R476-L484 HydrophobicContact CB-CD1 4.01Å; R476-L484 HydrophobicContact CG-CD1 4.25Å; E477-L484 VanDerWaalsContact O-CD1 3.26Å; E477-L484 WeakPolarHBondContact O-CD1 3.46Å; Y478-L484 HydrophobicContact CD1-CB 4.16Å; Y478-L484 HydrophobicContact CE1-CB 3.81Å; Y478-L484 HydrophobicContact CE1-CD1 4.05Å; Y478-L484 HydrophobicContact CE1-CG 4.37Å; L484-Q486 VanDerWaalsContact CD1-O 3.25Å; L484-Q486 WeakPolarHBondContact CD1-O 3.32Å; L484-Y497 HydrophobicContact CD2-CE2 4.36Å; L484-Y497 HydrophobicContact CG-CD2 4.11Å; L484-Y497 HydrophobicContact CG-CE2 3.84Å; L484-Y497 WeakPolarHBondContact O-CB 3.36Å; L484-Y499 WeakPolarHBondContact O-CE2 3.27Å; L484-Y499 PolarHBondContact O-OH 2.84Å; L484-E1345 WeakPolarHBondContact CD2-OE1 3.33Å |
| 485 | I | 94.3 | Very high | 84.9 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 29% | 0.292 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -23.9 | -177.5 | 55.6 | 168.5 | 0 | 0 | 0 | 113.2 | E477 D479 R483 R496 Y497 Y499 | E477-I485 HydrophobicContact CB-CD1 4.44Å; E477-I485 HydrophobicContact CB-CG1 4.01Å; E477-I485 VanDerWaalsContact O-CG1 3.28Å; E477-I485 WeakPolarHBondContact O-CG1 3.28Å; E477-I485 PolarHBondContact O-N 3.41Å; D479-I485 HydrophobicContact CB-CG2 3.9Å; R483-I485 PolarHBondContact O-N 2.86Å; I485-R496 CarbonylContact O-C 3.6Å; I485-R496 VanDerWaalsContact O-CA 3.29Å; I485-R496 WeakPolarHBondContact O-CA 3.31Å; I485-Y497 PolarHBondContact O-N 3.47Å; I485-Y499 HydrophobicContact CG2-CE2 4.41Å |
| 486 | Q | 94.9 | Very high | 84.9 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 135.6 | 174 | -172.5 | 171.7 | -97.6 | 0 | 0 | 110.4 | R476 E477 L484 I494 T495 R496 | R476-Q486 WeakPolarHBondContact CA-O 3.01Å; E477-Q486 HydrophobicContact CB-CB 4.11Å; E477-Q486 VanDerWaalsContact CD-NE2 3.26Å; E477-Q486 HydrophobicContact CG-CB 4.42Å; E477-Q486 PolarHBondContact N-O 3.01Å; E477-Q486 PolarHBondContact O-N 2.93Å; E477-Q486 PolarHBondContact OE1-NE2 2.84Å; E477-Q486 PolarHBondContact OE2-NE2 2.72Å; L484-Q486 VanDerWaalsContact CD1-O 3.25Å; L484-Q486 WeakPolarHBondContact CD1-O 3.32Å; Q486-I494 HydrophobicContact CG-CG2 3.42Å; Q486-I494 VanDerWaalsContact CG-CG2 3.42Å; Q486-T495 CarbonylContact C-O 3.51Å; Q486-T495 VanDerWaalsContact CA-O 3.25Å; Q486-T495 WeakPolarHBondContact CA-O 3.49Å; Q486-T495 WeakPolarHBondContact CG-O 3.46Å; Q486-R496 HydrophobicContact CB-CG 4.33Å; Q486-R496 HydrophobicContact CG-CG 4Å |
| 487 | E | 88.7 | Confident | 84.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.6 | 166.7 | 179.1 | 164.5 | 98.5 | 0 | 0 | 108.8 | L474 R475 R476 I494 T495 Y497 | L474-E487 HydrophobicContact CD1-CG 4.11Å; R475-E487 CarbonylContact O-C 3.54Å; R475-E487 WeakPolarHBondContact O-CA 3.49Å; R476-E487 HydrophobicContact CG-CG 4.34Å; R476-E487 IonicContact CZ-OE2 2.67Å; R476-E487 IonicContact NE-OE2 3.17Å; R476-E487 PolarHBondContact NE-OE2 3.4Å; R476-E487 IonicContact NH2-OE2 3.11Å; R476-E487 PolarHBondContact NH2-OE2 3.32Å; E487-I494 CarbonylContact O-C 3.55Å; E487-I494 WeakPolarHBondContact O-CA 3.45Å; E487-T495 PolarHBondContact N-O 2.91Å; E487-T495 PolarHBondContact O-N 3.37Å; E487-Y497 HydrophobicContact CB-CE2 4.24Å |
| 488 | T | 87.8 | Confident | 84.7 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 14% | 0.135 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.9 | 171.4 | -54.1 | 0 | 0 | 0 | 0 | 107.7 | L474 R475 D493 I494 | L474-T488 CarbonylContact C-O 3.59Å; L474-T488 WeakPolarHBondContact CA-O 3.23Å; R475-T488 PolarHBondContact N-O 2.85Å; R475-T488 PolarHBondContact O-N 3Å; T488-D493 CarbonylContact C-O 3.54Å; T488-D493 VanDerWaalsContact CA-O 3.32Å; T488-D493 WeakPolarHBondContact CA-O 3.31Å; T488-I494 HydrophobicContact CG2-CG1 3.96Å |
| 489 | A | 73.8 | Confident | 84.7 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | trans | -65.3 | 160.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D491 G492 D493 | A489-D491 WeakPolarHBondContact CB-OD1 2.99Å; A489-D491 PolarHBondContact O-N 2.86Å; A489-D491 VanDerWaalsContact O-N 3.15Å; A489-G492 WeakPolarHBondContact O-CA 3.33Å; A489-G492 PolarHBondContact O-N 2.8Å; A489-D493 HydrophobicContact CB-CB 4.47Å; A489-D493 PolarHBondContact N-O 2.88Å | ||
| 490 | P | 74 | Confident | 84.5 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.7 | -179.4 | -29.8 | 41.5 | 0 | 0 | 0 | 115.9 | L472 L474 G492 Y1356 | L472-P490 HydrophobicContact CB-CB 3.91Å; L474-P490 HydrophobicContact CB-CG 3.92Å; P490-G492 VanDerWaalsContact C-N 3.31Å; P490-Y1356 HydrophobicContact CB-CD1 4.12Å; P490-Y1356 HydrophobicContact CB-CE1 3.91Å; P490-Y1356 VanDerWaalsContact CD-CZ 3.48Å; P490-Y1356 HydrophobicContact CG-CD1 3.58Å; P490-Y1356 HydrophobicContact CG-CD2 3.96Å; P490-Y1356 HydrophobicContact CG-CE1 3.5Å; P490-Y1356 HydrophobicContact CG-CE2 3.9Å; P490-Y1356 HydrophobicContact CG-CG 3.8Å |
| 491 | D | 70.1 | Confident | 84.7 | Confident | 29 Ų | 29 | 40 Ų | 40 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.2 | 166.5 | 62.3 | 3.7 | 0 | 0 | 0 | 113.3 | A489 D493 K736 R738 | A489-D491 WeakPolarHBondContact CB-OD1 2.99Å; A489-D491 PolarHBondContact O-N 2.86Å; A489-D491 VanDerWaalsContact O-N 3.15Å; D491-D493 PolarHBondContact OD1-N 3.15Å; D491-K736 HydrophobicContact CB-CB 4.2Å; D491-K736 WeakPolarHBondContact O-CD 3.26Å; D491-K736 WeakPolarHBondContact O-CE 3.19Å; D491-K736 WeakPolarHBondContact O-CG 3.21Å; D491-K736 PolarHBondContact O-NZ 3.44Å; D491-R738 HydrophobicContact CB-CG 4.15Å |
| 492 | G | 76.8 | Confident | 84.7 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | trans | 85.6 | 7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A489 P490 | A489-G492 WeakPolarHBondContact O-CA 3.33Å; A489-G492 PolarHBondContact O-N 2.8Å; P490-G492 VanDerWaalsContact C-N 3.31Å | ||
| 493 | D | 75.5 | Confident | 84.4 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | trans | -72.9 | 137.6 | 174.4 | -78.8 | 10.8 | 0 | 0 | 0 | 110.6 | T488 A489 D491 A513 G768 | T488-D493 CarbonylContact C-O 3.54Å; T488-D493 VanDerWaalsContact CA-O 3.32Å; T488-D493 WeakPolarHBondContact CA-O 3.31Å; A489-D493 HydrophobicContact CB-CB 4.47Å; A489-D493 PolarHBondContact N-O 2.88Å; D491-D493 PolarHBondContact OD1-N 3.15Å; D493-A513 HydrophobicContact CB-CB 3.67Å; D493-G768 WeakPolarHBondContact OD2-CA 3.4Å | ||
| 494 | I | 86.4 | Confident | 84.1 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.9 | -168.7 | -53.5 | 175.4 | 0 | 0 | 0 | 112.6 | Q486 E487 T488 R496 D512 A513 | Q486-I494 HydrophobicContact CG-CG2 3.42Å; Q486-I494 VanDerWaalsContact CG-CG2 3.42Å; E487-I494 CarbonylContact O-C 3.55Å; E487-I494 WeakPolarHBondContact O-CA 3.45Å; T488-I494 HydrophobicContact CG2-CG1 3.96Å; I494-R496 HydrophobicContact CG2-CG 4.46Å; I494-D512 CarbonylContact O-C 3.51Å; I494-A513 WeakPolarHBondContact O-CA 3.34Å; I494-A513 PolarHBondContact O-N 2.84Å |
| 495 | T | 79.8 | Confident | 83.8 | Confident | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 145.4 | 170.1 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | Q486 E487 Y497 T510 D511 W1343 | Q486-T495 CarbonylContact C-O 3.51Å; Q486-T495 VanDerWaalsContact CA-O 3.25Å; Q486-T495 WeakPolarHBondContact CA-O 3.49Å; Q486-T495 WeakPolarHBondContact CG-O 3.46Å; E487-T495 PolarHBondContact N-O 2.91Å; E487-T495 PolarHBondContact O-N 3.37Å; T495-Y497 HydrophobicContact CG2-CD2 4.33Å; T495-Y497 HydrophobicContact CG2-CE1 3.94Å; T495-Y497 HydrophobicContact CG2-CE2 3.69Å; T495-Y497 VanDerWaalsContact CG2-CZ 3.49Å; T495-T510 HydrophobicContact CG2-CG2 3.46Å; T495-T510 VanDerWaalsContact CG2-CG2 3.46Å; T495-D511 CarbonylContact C-O 3.56Å; T495-D511 WeakPolarHBondContact CA-O 3.35Å; T495-W1343 HydrophobicContact CG2-CD2 4.16Å; T495-W1343 HydrophobicContact CG2-CE3 4.23Å; T495-W1343 HydrophobicContact CG2-CH2 3.38Å; T495-W1343 HydrophobicContact CG2-CZ2 3.21Å; T495-W1343 HydrophobicContact CG2-CZ3 3.86Å; T495-W1343 WeakPolarHBondContact OG1-CH2 3.48Å; T495-W1343 WeakPolarHBondContact OG1-CZ2 3.29Å |
| 496 | R | 92 | Very high | 83.4 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.5 | 171.9 | -62 | 173.8 | -175.7 | 80 | 10.8 | 112.6 | I485 Q486 I494 T510 D511 | I485-R496 CarbonylContact O-C 3.6Å; I485-R496 VanDerWaalsContact O-CA 3.29Å; I485-R496 WeakPolarHBondContact O-CA 3.31Å; Q486-R496 HydrophobicContact CB-CG 4.33Å; Q486-R496 HydrophobicContact CG-CG 4Å; I494-R496 HydrophobicContact CG2-CG 4.46Å; R496-T510 CarbonylContact O-C 3.55Å; R496-T510 WeakPolarHBondContact O-CA 3.3Å; R496-T510 VanDerWaalsContact O-CG2 3.31Å; R496-T510 WeakPolarHBondContact O-CG2 3.28Å; R496-D511 HydrophobicContact CB-CB 4.31Å; R496-D511 PolarHBondContact N-O 2.7Å; R496-D511 PolarHBondContact O-N 3.31Å |
| 497 | Y | 91 | Very high | 83.1 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 150.8 | -177.5 | -48.3 | -98.1 | 0 | 0 | 0 | 110.7 | L484 I485 E487 T495 T510 W1343 E1345 | L484-Y497 HydrophobicContact CD2-CE2 4.36Å; L484-Y497 HydrophobicContact CG-CD2 4.11Å; L484-Y497 HydrophobicContact CG-CE2 3.84Å; L484-Y497 WeakPolarHBondContact O-CB 3.36Å; I485-Y497 PolarHBondContact O-N 3.47Å; E487-Y497 HydrophobicContact CB-CE2 4.24Å; T495-Y497 HydrophobicContact CG2-CD2 4.33Å; T495-Y497 HydrophobicContact CG2-CE1 3.94Å; T495-Y497 HydrophobicContact CG2-CE2 3.69Å; T495-Y497 VanDerWaalsContact CG2-CZ 3.49Å; Y497-T510 HydrophobicContact CD1-CG2 3.52Å; Y497-T510 HydrophobicContact CE1-CG2 3.73Å; Y497-T510 HydrophobicContact CG-CG2 4.15Å; Y497-W1343 HydrophobicContact CE1-CD2 4.14Å; Y497-W1343 AromaticContact CE1-CE3 3.62Å; Y497-W1343 HydrophobicContact CE1-CE3 3.62Å; Y497-W1343 HydrophobicContact CE1-CZ3 4.05Å; Y497-W1343 AromaticContact CZ-CE3 3.97Å; Y497-W1343 AromaticContact CZ-CZ3 3.89Å; Y497-W1343 WeakPolarHBondContact OH-CZ3 3.27Å; Y497-E1345 HydrophobicContact CE1-CG 4.01Å; Y497-E1345 VanDerWaalsContact CE1-OE1 3.27Å; Y497-E1345 WeakPolarHBondContact CE1-OE1 3.12Å; Y497-E1345 PolarHBondContact OH-OE1 3.3Å |
| 498 | R | 93.3 | Very high | 83.2 | Confident | 112 Ų | 112 | 48.3 Ų | 48.3 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.6 | -178 | -55.6 | -179.5 | -179.1 | -81.7 | -6.5 | 109.7 | P507 C508 A509 D511 | R498-P507 CarbonylContact O-C 3.56Å; R498-P507 WeakPolarHBondContact O-CA 3.46Å; R498-C508 PolarHBondContact O-N 2.74Å; R498-C508 PolarHBondContact O-SG 2.93Å; R498-A509 HydrophobicContact CB-CB 4.2Å; R498-A509 PolarHBondContact N-O 2.89Å; R498-A509 PolarHBondContact O-N 2.94Å; R498-D511 IonicContact CZ-OD2 3.29Å; R498-D511 IonicContact NE-OD1 2.76Å; R498-D511 IonicContact NE-OD2 3.21Å; R498-D511 PolarHBondContact NE-OD2 2.79Å; R498-D511 IonicContact NH2-OD2 2.71Å; R498-D511 PolarHBondContact NH2-OD2 3.01Å |
| 499 | Y | 92.4 | Very high | 83.3 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | trans | -129.2 | 136.8 | -176.6 | -60.2 | -89.6 | 0 | 0 | 0 | 109.6 | R483 L484 I485 N501 D505 L506 P507 C508 | R483-Y499 HydrophobicContact CB-CD2 4.3Å; R483-Y499 HydrophobicContact CB-CE1 4.24Å; R483-Y499 HydrophobicContact CB-CE2 3.66Å; R483-Y499 HydrophobicContact CG-CE1 4.4Å; R483-Y499 HydrophobicContact CG-CE2 4.5Å; L484-Y499 WeakPolarHBondContact O-CE2 3.27Å; L484-Y499 PolarHBondContact O-OH 2.84Å; I485-Y499 HydrophobicContact CG2-CE2 4.41Å; Y499-N501 VanDerWaalsContact C-N 3.29Å; Y499-N501 PolarHBondContact O-N 2.75Å; Y499-D505 WeakPolarHBondContact CE1-O 3.5Å; Y499-L506 VanDerWaalsContact CD1-O 3.26Å; Y499-L506 WeakPolarHBondContact CD1-O 3.4Å; Y499-L506 VanDerWaalsContact CE1-C 3.47Å; Y499-P507 HydrophobicContact CE1-CB 4.07Å; Y499-C508 VanDerWaalsContact C-SG 3.5Å | ||
| 500 | D | 85.7 | Confident | 83.9 | Confident | 110 Ų | 110 | 46.5 Ų | 46.5 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -62.3 | -33.6 | -172.3 | -76.7 | -40.8 | 0 | 0 | 0 | 113.9 | C508 | D500-C508 HydrophobicContact CB-CB 4.31Å; D500-C508 VanDerWaalsContact CG-SG 3.6Å; D500-C508 PolarHBondContact N-SG 3.49Å; D500-C508 WeakPolarHBondContact OD1-CB 3.47Å; D500-C508 PolarHBondContact OD1-SG 3.36Å; D500-C508 WeakPolarHBondContact OD2-CB 3.46Å |
| 501 | N | 84.4 | Confident | 84.5 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -156.5 | 170.4 | -177.2 | 68.9 | 79.4 | 0 | 0 | 0 | 110.8 | R483 Y499 H503 S504 | R483-N501 PolarHBondContact NH1-O 2.91Å; Y499-N501 VanDerWaalsContact C-N 3.29Å; Y499-N501 PolarHBondContact O-N 2.75Å; N501-H503 PolarHBondContact O-N 2.86Å; N501-H503 VanDerWaalsContact O-N 3.15Å; N501-H503 WeakPolarHBondContact OD1-CA 3.29Å; N501-H503 WeakPolarHBondContact OD1-CB 3.46Å; N501-H503 PolarHBondContact OD1-N 3.41Å; N501-S504 PolarHBondContact ND2-OG 2.76Å; N501-S504 PolarHBondContact O-N 3.5Å; N501-S504 PolarHBondContact OD1-N 3.45Å |
| 502 | P | 79.7 | Confident | 84.7 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.5 | -178.5 | -26.7 | 37.1 | 0 | 0 | 0 | 116 | F205 | F205-P502 WeakPolarHBondContact CD1-O 3.39Š|
| 503 | H | 76.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 45.8 Ų | 45.8 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -3.7 | -177.8 | -53.2 | -81.8 | 0 | 0 | 0 | 114.1 | F205 N501 | F205-H503 HydrophobicContact CB-CB 4.5Å; F205-H503 PolarHBondContact O-ND1 2.96Å; N501-H503 PolarHBondContact O-N 2.86Å; N501-H503 VanDerWaalsContact O-N 3.15Å; N501-H503 WeakPolarHBondContact OD1-CA 3.29Å; N501-H503 WeakPolarHBondContact OD1-CB 3.46Å; N501-H503 PolarHBondContact OD1-N 3.41Å |
| 504 | S | 81 | Confident | 84.2 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | trans | -77.2 | 125.6 | 173.3 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | R483 N501 | R483-S504 WeakPolarHBondContact CD-O 3.45Å; R483-S504 PolarHBondContact NH1-O 3.04Å; N501-S504 PolarHBondContact ND2-OG 2.76Å; N501-S504 PolarHBondContact O-N 3.5Å; N501-S504 PolarHBondContact OD1-N 3.45Å | ||
| 505 | D | 82.5 | Confident | 83.7 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | trans | -93.2 | -20.7 | 174.4 | 52.3 | -23.6 | 0 | 0 | 0 | 114 | F205 R207 Y499 | F205-D505 HydrophobicContact CD2-CB 4.12Å; F205-D505 HydrophobicContact CE2-CB 3.48Å; F205-D505 VanDerWaalsContact CE2-CB 3.48Å; F205-D505 HydrophobicContact CZ-CB 3.74Å; R207-D505 IonicContact CZ-OD1 2.68Å; R207-D505 IonicContact CZ-OD2 3.77Å; R207-D505 IonicContact NH1-OD1 3.25Å; R207-D505 PolarHBondContact NH1-OD1 2.87Å; R207-D505 IonicContact NH1-OD2 2.78Å; R207-D505 PolarHBondContact NH1-OD2 3.42Å; R207-D505 VanDerWaalsContact NH2-CG 3.32Å; R207-D505 IonicContact NH2-OD1 3.92Å; R207-D505 IonicContact NH2-OD2 2.81Å; R207-D505 PolarHBondContact NH2-OD2 3.06Å; Y499-D505 WeakPolarHBondContact CE1-O 3.5Å | ||
| 506 | L | 85.2 | Confident | 83.5 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -101.5 | 141.2 | 177.4 | -58.6 | 174.9 | 0 | 0 | 0 | 111.3 | Y499 W522 | Y499-L506 VanDerWaalsContact CD1-O 3.26Å; Y499-L506 WeakPolarHBondContact CD1-O 3.4Å; Y499-L506 VanDerWaalsContact CE1-C 3.47Å; L506-W522 HydrophobicContact CB-CD2 3.99Å; L506-W522 HydrophobicContact CB-CG 4.15Å; L506-W522 HydrophobicContact CB-CZ2 4.21Å; L506-W522 HydrophobicContact CD1-CB 4.47Å; L506-W522 HydrophobicContact CD1-CD2 3.62Å; L506-W522 HydrophobicContact CD1-CE3 3.54Å; L506-W522 HydrophobicContact CD1-CG 4.02Å; L506-W522 HydrophobicContact CD1-CZ3 4.01Å; L506-W522 HydrophobicContact CG-CD2 4.45Å |
| 507 | P | 88.2 | Confident | 83.2 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -69.1 | 137.9 | -178 | 28.5 | -34.2 | 0 | 0 | 0 | 111.4 | R498 Y499 W522 | R498-P507 CarbonylContact O-C 3.56Å; R498-P507 WeakPolarHBondContact O-CA 3.46Å; Y499-P507 HydrophobicContact CE1-CB 4.07Å; P507-W522 PolarHBondContact O-NE1 2.72Å | ||
| 508 | C | 91.5 | Very high | 82.7 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -93.4 | -16.7 | 173.5 | 68.7 | 0 | 0 | 0 | 0 | 113 | R498 Y499 D500 T519 M520 | R498-C508 PolarHBondContact O-N 2.74Å; R498-C508 PolarHBondContact O-SG 2.93Å; Y499-C508 VanDerWaalsContact C-SG 3.5Å; D500-C508 HydrophobicContact CB-CB 4.31Å; D500-C508 VanDerWaalsContact CG-SG 3.6Å; D500-C508 PolarHBondContact N-SG 3.49Å; D500-C508 WeakPolarHBondContact OD1-CB 3.47Å; D500-C508 PolarHBondContact OD1-SG 3.36Å; D500-C508 WeakPolarHBondContact OD2-CB 3.46Å; C508-T519 CarbonylContact O-C 3.59Å; C508-T519 VanDerWaalsContact O-CA 3.24Å; C508-T519 WeakPolarHBondContact O-CA 3.42Å; C508-T519 WeakPolarHBondContact O-CB 3.41Å; C508-M520 PolarHBondContact O-N 3.08Å |
| 509 | A | 90.6 | Very high | 82.5 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 150.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R498 R517 K518 T519 | R498-A509 HydrophobicContact CB-CB 4.2Å; R498-A509 PolarHBondContact N-O 2.89Å; R498-A509 PolarHBondContact O-N 2.94Å; A509-R517 HydrophobicContact CB-CG 4.45Å; A509-K518 CarbonylContact C-O 3.6Å; A509-K518 WeakPolarHBondContact CA-O 3.49Å; A509-K518 VanDerWaalsContact CB-O 3.32Å; A509-K518 WeakPolarHBondContact CB-O 3.42Å; A509-T519 HydrophobicContact CB-CG2 3.92Å |
| 510 | T | 85.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.8 | 173.9 | -40.7 | 0 | 0 | 0 | 0 | 110 | T495 R496 Y497 R517 K518 W1343 | T495-T510 HydrophobicContact CG2-CG2 3.46Å; T495-T510 VanDerWaalsContact CG2-CG2 3.46Å; R496-T510 CarbonylContact O-C 3.55Å; R496-T510 WeakPolarHBondContact O-CA 3.3Å; R496-T510 VanDerWaalsContact O-CG2 3.31Å; R496-T510 WeakPolarHBondContact O-CG2 3.28Å; Y497-T510 HydrophobicContact CD1-CG2 3.52Å; Y497-T510 HydrophobicContact CE1-CG2 3.73Å; Y497-T510 HydrophobicContact CG-CG2 4.15Å; T510-R517 WeakPolarHBondContact O-CA 3.45Å; T510-K518 PolarHBondContact N-O 2.78Å; T510-K518 PolarHBondContact O-N 2.85Å; T510-W1343 VanDerWaalsContact CG2-CD1 3.45Å; T510-W1343 HydrophobicContact CG2-CD2 3.66Å; T510-W1343 HydrophobicContact CG2-CE3 4.43Å; T510-W1343 HydrophobicContact CG2-CG 3.64Å |
| 511 | D | 87.1 | Confident | 82.7 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.6 | 173.2 | -56.8 | -44.6 | 0 | 0 | 0 | 108.5 | T495 R496 R498 S516 R517 | T495-D511 CarbonylContact C-O 3.56Å; T495-D511 WeakPolarHBondContact CA-O 3.35Å; R496-D511 HydrophobicContact CB-CB 4.31Å; R496-D511 PolarHBondContact N-O 2.7Å; R496-D511 PolarHBondContact O-N 3.31Å; R498-D511 IonicContact CZ-OD2 3.29Å; R498-D511 IonicContact NE-OD1 2.76Å; R498-D511 IonicContact NE-OD2 3.21Å; R498-D511 PolarHBondContact NE-OD2 2.79Å; R498-D511 IonicContact NH2-OD2 2.71Å; R498-D511 PolarHBondContact NH2-OD2 3.01Å; D511-S516 CarbonylContact C-O 2.91Å; D511-S516 VanDerWaalsContact CA-O 3.31Å; D511-S516 WeakPolarHBondContact CA-O 3.4Å; D511-R517 VanDerWaalsContact CG-NH2 3.35Å; D511-R517 IonicContact OD1-CZ 2.76Å; D511-R517 IonicContact OD1-NE 3.23Å; D511-R517 PolarHBondContact OD1-NE 3.29Å; D511-R517 IonicContact OD1-NH2 2.7Å; D511-R517 PolarHBondContact OD1-NH2 3.15Å; D511-R517 IonicContact OD2-NH2 3.18Å; D511-R517 PolarHBondContact OD2-NH2 2.62Å; D511-R517 VanDerWaalsContact OD2-NH2 3.09Å |
| 512 | D | 75.5 | Confident | 82.8 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | trans | -85.3 | 178.8 | 177.1 | 84.3 | -9.1 | 0 | 0 | 0 | 113.2 | I494 T514 G515 S516 E1341 | I494-D512 CarbonylContact O-C 3.51Å; D512-T514 PolarHBondContact O-N 2.84Å; D512-T514 WeakPolarHBondContact OD1-CA 3.48Å; D512-T514 WeakPolarHBondContact OD1-CB 3.48Å; D512-T514 PolarHBondContact OD1-N 3.12Å; D512-T514 PolarHBondContact OD1-OG1 2.87Å; D512-T514 PolarHBondContact OD2-OG1 2.65Å; D512-G515 PolarHBondContact O-N 2.65Å; D512-G515 PolarHBondContact OD1-N 3.42Å; D512-G515 VanDerWaalsContact OD1-N 3.13Å; D512-S516 PolarHBondContact N-O 2.71Å; D512-S516 WeakPolarHBondContact OD1-CB 3.14Å; D512-S516 PolarHBondContact OD1-N 2.83Å; D512-E1341 HydrophobicContact CB-CG 4.1Å | ||
| 513 | A | 71 | Confident | 83.3 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 28% | 0.281 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D493 I494 G515 | D493-A513 HydrophobicContact CB-CB 3.67Å; I494-A513 WeakPolarHBondContact O-CA 3.34Å; I494-A513 PolarHBondContact O-N 2.84Å; A513-G515 VanDerWaalsContact C-N 3.32Å |
| 514 | T | 69.4 | Low | 83.8 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.4 | 173.5 | 80.2 | 0 | 0 | 0 | 0 | 112.6 | D512 S516 Q767 L769 | D512-T514 PolarHBondContact O-N 2.84Å; D512-T514 WeakPolarHBondContact OD1-CA 3.48Å; D512-T514 WeakPolarHBondContact OD1-CB 3.48Å; D512-T514 PolarHBondContact OD1-N 3.12Å; D512-T514 PolarHBondContact OD1-OG1 2.87Å; D512-T514 PolarHBondContact OD2-OG1 2.65Å; T514-S516 VanDerWaalsContact OG1-CB 3.31Å; T514-S516 WeakPolarHBondContact OG1-CB 3.15Å; T514-S516 PolarHBondContact OG1-N 2.81Å; T514-S516 PolarHBondContact OG1-OG 3.21Å; T514-Q767 HydrophobicContact CG2-CB 4.24Å; T514-L769 HydrophobicContact CG2-CD1 3.91Å; T514-L769 HydrophobicContact CG2-CD2 3.92Å; T514-L769 HydrophobicContact CG2-CG 4.04Å |
| 515 | G | 75.7 | Confident | 84.1 | Confident | 62 Ų | 62 | 36.8 Ų | 36.8 | 64% | 0.639 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 84.8 | 10.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D512 A513 | D512-G515 PolarHBondContact O-N 2.65Å; D512-G515 PolarHBondContact OD1-N 3.42Å; D512-G515 VanDerWaalsContact OD1-N 3.13Å; A513-G515 VanDerWaalsContact C-N 3.32Å |
| 516 | S | 76.4 | Confident | 84 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | trans | -78.3 | 144.3 | 174.8 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | D511 D512 T514 G787 S788 E1341 | D511-S516 CarbonylContact C-O 2.91Å; D511-S516 VanDerWaalsContact CA-O 3.31Å; D511-S516 WeakPolarHBondContact CA-O 3.4Å; D512-S516 PolarHBondContact N-O 2.71Å; D512-S516 WeakPolarHBondContact OD1-CB 3.14Å; D512-S516 PolarHBondContact OD1-N 2.83Å; T514-S516 VanDerWaalsContact OG1-CB 3.31Å; T514-S516 WeakPolarHBondContact OG1-CB 3.15Å; T514-S516 PolarHBondContact OG1-N 2.81Å; T514-S516 PolarHBondContact OG1-OG 3.21Å; S516-G787 VanDerWaalsContact OG-CA 3.25Å; S516-G787 WeakPolarHBondContact OG-CA 3.36Å; S516-G787 PolarHBondContact OG-O 2.83Å; S516-S788 PolarHBondContact OG-N 2.91Å; S516-E1341 WeakPolarHBondContact CB-OE1 3.29Å | ||
| 517 | R | 85.5 | Confident | 83.9 | Confident | 119 Ų | 119 | 33.6 Ų | 33.6 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.7 | -172.9 | 173.2 | 171.5 | -66.5 | 164.6 | 9.3 | 111.7 | A509 T510 D511 T519 C534 E1341 | A509-R517 HydrophobicContact CB-CG 4.45Å; T510-R517 WeakPolarHBondContact O-CA 3.45Å; D511-R517 VanDerWaalsContact CG-NH2 3.35Å; D511-R517 IonicContact OD1-CZ 2.76Å; D511-R517 IonicContact OD1-NE 3.23Å; D511-R517 PolarHBondContact OD1-NE 3.29Å; D511-R517 IonicContact OD1-NH2 2.7Å; D511-R517 PolarHBondContact OD1-NH2 3.15Å; D511-R517 IonicContact OD2-NH2 3.18Å; D511-R517 PolarHBondContact OD2-NH2 2.62Å; D511-R517 VanDerWaalsContact OD2-NH2 3.09Å; R517-T519 HydrophobicContact CG-CG2 4.13Å; R517-C534 WeakPolarHBondContact O-CA 3.4Å; R517-E1341 PolarHBondContact N-OE1 3.44Å; R517-E1341 VanDerWaalsContact N-OE1 3.13Å |
| 518 | K | 80.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 153.8 | 162.7 | -59.4 | -169.5 | 139.7 | 171.9 | 0 | 111 | A509 T510 M520 F531 T532 E1341 Y1342 | A509-K518 CarbonylContact C-O 3.6Å; A509-K518 WeakPolarHBondContact CA-O 3.49Å; A509-K518 VanDerWaalsContact CB-O 3.32Å; A509-K518 WeakPolarHBondContact CB-O 3.42Å; T510-K518 PolarHBondContact N-O 2.78Å; T510-K518 PolarHBondContact O-N 2.85Å; K518-M520 HydrophobicContact CB-SD 4.35Å; K518-F531 HydrophobicContact CB-CE2 4.27Å; K518-F531 HydrophobicContact CB-CZ 4.36Å; K518-F531 HydrophobicContact CD-CE2 3.86Å; K518-F531 HydrophobicContact CD-CZ 3.48Å; K518-F531 VanDerWaalsContact CD-CZ 3.48Å; K518-F531 HydrophobicContact CG-CZ 4.21Å; K518-T532 WeakPolarHBondContact CA-O 2.78Å; K518-E1341 HydrophobicContact CD-CB 3.69Å; K518-E1341 HydrophobicContact CD-CG 3.89Å; K518-E1341 VanDerWaalsContact CE-CB 3.43Å; K518-E1341 WeakPolarHBondContact CE-OE2 3.32Å; K518-E1341 HydrophobicContact CG-CB 4.28Å; K518-E1341 VanDerWaalsContact CG-CD 3.4Å; K518-E1341 HydrophobicContact CG-CG 3.92Å; K518-E1341 WeakPolarHBondContact CG-OE2 3.25Å; K518-E1341 PolarHBondContact NZ-O 2.91Å; K518-E1341 IonicContact NZ-OE2 3.63Å; K518-Y1342 VanDerWaalsContact NZ-CD1 3.25Å; K518-Y1342 VanDerWaalsContact NZ-CE1 3.26Å |
| 519 | T | 90.2 | Very high | 83.4 | Confident | 54 Ų | 54 | 36 Ų | 36 | 33% | 0.331 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.7 | 172.9 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | C508 A509 R517 F531 T532 | C508-T519 CarbonylContact O-C 3.59Å; C508-T519 VanDerWaalsContact O-CA 3.24Å; C508-T519 WeakPolarHBondContact O-CA 3.42Å; C508-T519 WeakPolarHBondContact O-CB 3.41Å; A509-T519 HydrophobicContact CB-CG2 3.92Å; R517-T519 HydrophobicContact CG-CG2 4.13Å; T519-F531 CarbonylContact O-C 3.48Å; T519-F531 WeakPolarHBondContact O-CA 3.45Å; T519-T532 PolarHBondContact N-O 3.38Å; T519-T532 PolarHBondContact O-N 2.76Å; T519-T532 WeakPolarHBondContact OG1-CB 3.18Å; T519-T532 PolarHBondContact OG1-OG1 2.77Å |
| 520 | M | 89.5 | Confident | 83.3 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145.2 | -175 | -64.3 | 76.2 | 141.7 | 0 | 0 | 110.2 | C508 K518 W522 L528 S530 F531 W1343 | C508-M520 PolarHBondContact O-N 3.08Å; K518-M520 HydrophobicContact CB-SD 4.35Å; M520-W522 HydrophobicContact CB-CZ2 3.95Å; M520-W522 HydrophobicContact CG-CZ2 4.19Å; M520-L528 HydrophobicContact CB-CD1 3.88Å; M520-L528 HydrophobicContact CG-CD1 3.99Å; M520-S530 CarbonylContact C-O 3.36Å; M520-S530 WeakPolarHBondContact CA-O 3.29Å; M520-F531 HydrophobicContact CE-CD2 4.5Å; M520-F531 HydrophobicContact CE-CE2 4.27Å; M520-F531 HydrophobicContact CG-CD2 3.97Å; M520-F531 HydrophobicContact SD-CD2 4.34Å; M520-F531 HydrophobicContact SD-CE2 4.43Å; M520-W1343 HydrophobicContact CE-CB 3.93Å |
| 521 | T | 91.3 | Very high | 83.1 | Confident | 65 Ų | 65 | 36.3 Ų | 36.3 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.1 | 168.4 | 66 | 0 | 0 | 0 | 0 | 110.2 | L529 S530 | T521-L529 PolarHBondContact O-N 3.45Å; T521-S530 PolarHBondContact N-O 3.32Å; T521-S530 PolarHBondContact O-N 3.46Å; T521-S530 WeakPolarHBondContact OG1-CB 3.31Å; T521-S530 PolarHBondContact OG1-N 3.29Å; T521-S530 PolarHBondContact OG1-OG 3.16Å |
| 522 | W | 87.9 | Confident | 83.1 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 21% | 0.205 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 148.3 | -171.8 | -53.8 | 94.4 | 0 | 0 | 0 | 111.6 | L506 P507 M520 Q527 L528 | L506-W522 HydrophobicContact CB-CD2 3.99Å; L506-W522 HydrophobicContact CB-CG 4.15Å; L506-W522 HydrophobicContact CB-CZ2 4.21Å; L506-W522 HydrophobicContact CD1-CB 4.47Å; L506-W522 HydrophobicContact CD1-CD2 3.62Å; L506-W522 HydrophobicContact CD1-CE3 3.54Å; L506-W522 HydrophobicContact CD1-CG 4.02Å; L506-W522 HydrophobicContact CD1-CZ3 4.01Å; L506-W522 HydrophobicContact CG-CD2 4.45Å; P507-W522 PolarHBondContact O-NE1 2.72Å; M520-W522 HydrophobicContact CB-CZ2 3.95Å; M520-W522 HydrophobicContact CG-CZ2 4.19Å; W522-Q527 CarbonylContact C-O 3.58Å; W522-Q527 WeakPolarHBondContact CA-O 3.37Å; W522-L528 HydrophobicContact CD2-CD1 4.42Å; W522-L528 HydrophobicContact CE3-CB 4.03Å; W522-L528 HydrophobicContact CE3-CD1 4.24Å; W522-L528 HydrophobicContact CH2-CB 4.35Å; W522-L528 HydrophobicContact CH2-CD1 3.97Å; W522-L528 HydrophobicContact CZ2-CD1 4.15Å; W522-L528 HydrophobicContact CZ3-CB 3.7Å; W522-L528 HydrophobicContact CZ3-CD1 4.02Å; W522-L528 HydrophobicContact CZ3-CG 4.43Å |
| 523 | S | 88.5 | Confident | 83.1 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | trans | -72.8 | 169.2 | 171.2 | 78.2 | 0 | 0 | 0 | 0 | 111.1 | Y525 G526 Q527 | S523-Y525 PolarHBondContact O-N 2.88Å; S523-Y525 VanDerWaalsContact O-N 3.09Å; S523-Y525 PolarHBondContact OG-N 2.93Å; S523-Y525 VanDerWaalsContact OG-N 3.07Å; S523-G526 PolarHBondContact O-N 2.59Å; S523-Q527 PolarHBondContact N-O 3.34Å; S523-Q527 WeakPolarHBondContact OG-CB 3.36Å; S523-Q527 PolarHBondContact OG-N 3.36Å; S523-Q527 PolarHBondContact OG-OE1 3.04Å | ||
| 524 | R | 88.2 | Confident | 83.3 | Confident | 143 Ų | 143 | 37.4 Ų | 37.4 | 54% | 0.54 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -24.2 | 169.1 | 160.3 | 176.6 | -70.8 | -76.9 | -9.5 | 112.2 | P58 A230 | P58-R524 VanDerWaalsContact CD-O 3.3Å; P58-R524 WeakPolarHBondContact CD-O 3.24Å; A230-R524 HydrophobicContact CB-CG 4.11Å; A230-R524 WeakPolarHBondContact O-CD 3.33Å; A230-R524 PolarHBondContact O-NH1 3.16Å |
| 525 | Y | 85.9 | Confident | 83.7 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 11.3 | 178.3 | -56.9 | -45.3 | 0 | 0 | 0 | 114.3 | P56 G57 A230 R232 D288 P289 E290 Y291 S523 Q527 | P56-Y525 CarbonylContact C-O 3.53Å; P56-Y525 WeakPolarHBondContact O-CB 3.42Å; G57-Y525 VanDerWaalsContact CA-O 3.28Å; G57-Y525 WeakPolarHBondContact CA-O 3.35Å; G57-Y525 PolarHBondContact N-O 3.46Å; G57-Y525 VanDerWaalsContact N-O 3.15Å; A230-Y525 HydrophobicContact CB-CD1 3.48Å; A230-Y525 VanDerWaalsContact CB-CD1 3.48Å; A230-Y525 HydrophobicContact CB-CE1 3.47Å; A230-Y525 VanDerWaalsContact CB-CE1 3.47Å; R232-Y525 HydrophobicContact CG-CE1 3.8Å; R232-Y525 WeakPolarHBondContact CG-OH 3.37Å; D288-Y525 PolarHBondContact OD1-OH 3.18Å; D288-Y525 PolarHBondContact OD2-OH 2.74Å; P289-Y525 WeakPolarHBondContact CD-OH 3.34Å; E290-Y525 HydrophobicContact CB-CE2 3.61Å; E290-Y525 HydrophobicContact CG-CE2 4.32Å; E290-Y525 WeakPolarHBondContact OE2-CD2 3.17Å; E290-Y525 WeakPolarHBondContact OE2-CE2 3.42Å; Y291-Y525 HydrophobicContact CD2-CE2 4.28Å; Y291-Y525 HydrophobicContact CE2-CE2 4.07Å; S523-Y525 PolarHBondContact O-N 2.88Å; S523-Y525 VanDerWaalsContact O-N 3.09Å; S523-Y525 PolarHBondContact OG-N 2.93Å; S523-Y525 VanDerWaalsContact OG-N 3.07Å; Y525-Q527 VanDerWaalsContact C-N 3.26Å; Y525-Q527 PolarHBondContact O-N 3.06Å |
| 526 | G | 81.7 | Confident | 84.2 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 33% | 0.33 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 70 | 22.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S523 | S523-G526 PolarHBondContact O-N 2.59Š|
| 527 | Q | 81.3 | Confident | 84.4 | Confident | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | trans | -94 | 137.6 | 177.6 | -53.9 | 168.1 | -86.1 | 0 | 0 | 109.1 | P56 W522 S523 Y525 L529 H543 G547 | P56-Q527 HydrophobicContact CB-CG 4.2Å; P56-Q527 HydrophobicContact CG-CG 4.13Å; W522-Q527 CarbonylContact C-O 3.58Å; W522-Q527 WeakPolarHBondContact CA-O 3.37Å; S523-Q527 PolarHBondContact N-O 3.34Å; S523-Q527 WeakPolarHBondContact OG-CB 3.36Å; S523-Q527 PolarHBondContact OG-N 3.36Å; S523-Q527 PolarHBondContact OG-OE1 3.04Å; Y525-Q527 VanDerWaalsContact C-N 3.26Å; Y525-Q527 PolarHBondContact O-N 3.06Å; Q527-L529 PolarHBondContact O-N 3.43Å; Q527-H543 PolarHBondContact NE2-CD2 2.92Å; Q527-H543 VanDerWaalsContact NE2-CG 3.25Å; Q527-G547 VanDerWaalsContact NE2-CA 3.33Å; Q527-G547 PolarHBondContact NE2-O 2.83Å | ||
| 528 | L | 82.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 120.2 | 177.2 | -174.7 | 63.4 | 0 | 0 | 0 | 109.1 | M520 W522 S530 F531 Y541 H543 F1317 | M520-L528 HydrophobicContact CB-CD1 3.88Å; M520-L528 HydrophobicContact CG-CD1 3.99Å; W522-L528 HydrophobicContact CD2-CD1 4.42Å; W522-L528 HydrophobicContact CE3-CB 4.03Å; W522-L528 HydrophobicContact CE3-CD1 4.24Å; W522-L528 HydrophobicContact CH2-CB 4.35Å; W522-L528 HydrophobicContact CH2-CD1 3.97Å; W522-L528 HydrophobicContact CZ2-CD1 4.15Å; W522-L528 HydrophobicContact CZ3-CB 3.7Å; W522-L528 HydrophobicContact CZ3-CD1 4.02Å; W522-L528 HydrophobicContact CZ3-CG 4.43Å; L528-S530 VanDerWaalsContact CD1-O 3.31Å; L528-S530 WeakPolarHBondContact CD1-O 3.39Å; L528-F531 HydrophobicContact CD1-CB 4.49Å; L528-F531 HydrophobicContact CD2-CB 4.27Å; L528-Y541 HydrophobicContact CB-CD2 4.48Å; L528-Y541 HydrophobicContact CD2-CD2 4.05Å; L528-Y541 HydrophobicContact CD2-CE2 3.52Å; L528-Y541 HydrophobicContact CG-CD2 3.91Å; L528-Y541 HydrophobicContact CG-CE2 3.84Å; L528-Y541 WeakPolarHBondContact O-CB 3.27Å; L528-H543 PolarHBondContact O-CE1 2.92Å; L528-H543 VanDerWaalsContact O-CE1 3.26Å; L528-F1317 HydrophobicContact CD2-CE2 4.43Å |
| 529 | L | 87.8 | Confident | 84.4 | Confident | 63 Ų | 63 | 36.9 Ų | 36.9 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -39 | 177.6 | -71.2 | 179.7 | 0 | 0 | 0 | 111.7 | T521 Q527 R540 Y541 | T521-L529 PolarHBondContact O-N 3.45Å; Q527-L529 PolarHBondContact O-N 3.43Å; L529-R540 CarbonylContact O-C 3.51Å; L529-R540 VanDerWaalsContact O-CA 3.27Å; L529-R540 WeakPolarHBondContact O-CA 2.86Å; L529-Y541 PolarHBondContact O-N 2.75Å |
| 530 | S | 88.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 153.3 | 170.5 | 81.6 | 0 | 0 | 0 | 0 | 112.1 | M520 T521 L528 Q538 T539 | M520-S530 CarbonylContact C-O 3.36Å; M520-S530 WeakPolarHBondContact CA-O 3.29Å; T521-S530 PolarHBondContact N-O 3.32Å; T521-S530 PolarHBondContact O-N 3.46Å; T521-S530 WeakPolarHBondContact OG1-CB 3.31Å; T521-S530 PolarHBondContact OG1-N 3.29Å; T521-S530 PolarHBondContact OG1-OG 3.16Å; L528-S530 VanDerWaalsContact CD1-O 3.31Å; L528-S530 WeakPolarHBondContact CD1-O 3.39Å; S530-Q538 PolarHBondContact OG-NE2 3.35Å; S530-Q538 VanDerWaalsContact OG-NE2 3.17Å; S530-T539 CarbonylContact C-O 3.54Å; S530-T539 VanDerWaalsContact CA-O 3.23Å; S530-T539 WeakPolarHBondContact CA-O 3.33Å |
| 531 | F | 81.7 | Confident | 84.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.5 | 178.2 | 171.1 | -84.1 | 0 | 0 | 0 | 108.1 | K518 T519 M520 L528 D533 Q538 T539 Y541 Y1315 Y1342 | K518-F531 HydrophobicContact CB-CE2 4.27Å; K518-F531 HydrophobicContact CB-CZ 4.36Å; K518-F531 HydrophobicContact CD-CE2 3.86Å; K518-F531 HydrophobicContact CD-CZ 3.48Å; K518-F531 VanDerWaalsContact CD-CZ 3.48Å; K518-F531 HydrophobicContact CG-CZ 4.21Å; T519-F531 CarbonylContact O-C 3.48Å; T519-F531 WeakPolarHBondContact O-CA 3.45Å; M520-F531 HydrophobicContact CE-CD2 4.5Å; M520-F531 HydrophobicContact CE-CE2 4.27Å; M520-F531 HydrophobicContact CG-CD2 3.97Å; M520-F531 HydrophobicContact SD-CD2 4.34Å; M520-F531 HydrophobicContact SD-CE2 4.43Å; L528-F531 HydrophobicContact CD1-CB 4.49Å; L528-F531 HydrophobicContact CD2-CB 4.27Å; F531-D533 HydrophobicContact CE1-CB 4.12Å; F531-Q538 CarbonylContact O-C 3.48Å; F531-Q538 WeakPolarHBondContact O-CA 3.33Å; F531-T539 PolarHBondContact N-O 2.97Å; F531-T539 PolarHBondContact O-N 2.78Å; F531-Y541 HydrophobicContact CB-CE2 4.07Å; F531-Y1315 WeakPolarHBondContact CD1-OH 3.4Å; F531-Y1315 WeakPolarHBondContact CE1-OH 3.47Å; F531-Y1342 HydrophobicContact CD1-CE1 4.43Å; F531-Y1342 AromaticContact CE1-CE1 3.55Å; F531-Y1342 HydrophobicContact CE1-CE1 3.55Å; F531-Y1342 AromaticContact CE1-CZ 3.96Å; F531-Y1342 HydrophobicContact CE2-CD1 4.05Å; F531-Y1342 AromaticContact CE2-CE1 3.75Å; F531-Y1342 HydrophobicContact CE2-CE1 3.75Å; F531-Y1342 AromaticContact CZ-CD1 3.76Å; F531-Y1342 HydrophobicContact CZ-CD1 3.76Å; F531-Y1342 AromaticContact CZ-CE1 3.12Å; F531-Y1342 HydrophobicContact CZ-CE1 3.12Å; F531-Y1342 AromaticContact CZ-CZ 3.86Å |
| 532 | T | 86.2 | Confident | 84.2 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129 | 176.6 | -42.7 | 0 | 0 | 0 | 0 | 109.5 | K518 T519 G536 Y537 | K518-T532 WeakPolarHBondContact CA-O 2.78Å; T519-T532 PolarHBondContact N-O 3.38Å; T519-T532 PolarHBondContact O-N 2.76Å; T519-T532 WeakPolarHBondContact OG1-CB 3.18Å; T519-T532 PolarHBondContact OG1-OG1 2.77Å; T532-G536 VanDerWaalsContact CG2-C 3.4Å; T532-Y537 VanDerWaalsContact CA-O 3.28Å; T532-Y537 WeakPolarHBondContact CA-O 3.5Å; T532-Y537 WeakPolarHBondContact CG2-O 3.12Å |
| 533 | D | 75.5 | Confident | 84.3 | Confident | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | trans | -80.5 | 177.3 | 178.3 | 61.8 | 33 | 0 | 0 | 0 | 113.6 | F531 S535 G536 Y537 H810 | F531-D533 HydrophobicContact CE1-CB 4.12Å; D533-S535 PolarHBondContact O-N 2.96Å; D533-S535 WeakPolarHBondContact OD1-CA 3.07Å; D533-S535 WeakPolarHBondContact OD1-CB 3.44Å; D533-S535 PolarHBondContact OD1-N 3.08Å; D533-G536 PolarHBondContact O-N 2.9Å; D533-G536 PolarHBondContact OD1-N 2.8Å; D533-G536 VanDerWaalsContact OD1-N 3.15Å; D533-Y537 PolarHBondContact N-O 2.76Å; D533-Y537 PolarHBondContact OD1-N 3.05Å; D533-Y537 VanDerWaalsContact OD1-N 3.08Å; D533-H810 IonicContact OD2-CD2 3.54Å; D533-H810 IonicContact OD2-NE2 2.72Å; D533-H810 PolarHBondContact OD2-NE2 2.88Å | ||
| 534 | C | 75.3 | Confident | 84.3 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -20.9 | 174.9 | 51.4 | 0 | 0 | 0 | 0 | 115.7 | R517 E1341 | R517-C534 WeakPolarHBondContact O-CA 3.4Å; C534-E1341 WeakPolarHBondContact CB-OE1 3.22Å; C534-E1341 WeakPolarHBondContact CB-OE2 3.43Å; C534-E1341 PolarHBondContact N-OE2 3.27Å; C534-E1341 PolarHBondContact SG-OE2 3.3Å |
| 535 | S | 78.1 | Confident | 84.4 | Confident | 40 Ų | 40 | 36.9 Ų | 36.9 | 28% | 0.28 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.3 | -178.2 | -60 | 0 | 0 | 0 | 0 | 112.8 | D533 H810 | D533-S535 PolarHBondContact O-N 2.96Å; D533-S535 WeakPolarHBondContact OD1-CA 3.07Å; D533-S535 WeakPolarHBondContact OD1-CB 3.44Å; D533-S535 PolarHBondContact OD1-N 3.08Å; S535-H810 WeakPolarHBondContact CB-CE1 3.09Å; S535-H810 PolarHBondContact OG-CE1 3.33Å; S535-H810 PolarHBondContact OG-NE2 2.94Å |
| 536 | G | 85.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 38.3 Ų | 38.3 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | trans | 83.2 | 16.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T532 D533 | T532-G536 VanDerWaalsContact CG2-C 3.4Å; D533-G536 PolarHBondContact O-N 2.9Å; D533-G536 PolarHBondContact OD1-N 2.8Å; D533-G536 VanDerWaalsContact OD1-N 3.15Å | ||
| 537 | Y | 82 | Confident | 84.3 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | trans | -92.5 | 135.1 | 179.2 | -61.9 | -42.5 | 0 | 0 | 0 | 111.4 | T532 D533 E555 R808 H810 | T532-Y537 VanDerWaalsContact CA-O 3.28Å; T532-Y537 WeakPolarHBondContact CA-O 3.5Å; T532-Y537 WeakPolarHBondContact CG2-O 3.12Å; D533-Y537 PolarHBondContact N-O 2.76Å; D533-Y537 PolarHBondContact OD1-N 3.05Å; D533-Y537 VanDerWaalsContact OD1-N 3.08Å; Y537-E555 HydrophobicContact CD1-CG 4.26Å; Y537-E555 HydrophobicContact CG-CG 4.2Å; Y537-R808 HydrophobicContact CD1-CB 3.94Å; Y537-R808 HydrophobicContact CD1-CG 4.26Å; Y537-R808 HydrophobicContact CD2-CB 4.39Å; Y537-R808 WeakPolarHBondContact CD2-O 3.18Å; Y537-R808 HydrophobicContact CE1-CB 3.8Å; Y537-R808 HydrophobicContact CE1-CG 3.68Å; Y537-R808 HydrophobicContact CE2-CB 4.23Å; Y537-R808 HydrophobicContact CG-CB 4.26Å; Y537-H810 AromaticContact CD2-CE1 3.55Å; Y537-H810 AromaticContact CD2-NE2 3.6Å; Y537-H810 AromaticContact CE2-CE1 3.41Å; Y537-H810 VanDerWaalsContact CE2-CE1 3.41Å; Y537-H810 WeakPolarHBondContact CE2-CE1 3.34Å; Y537-H810 AromaticContact CE2-ND1 3.99Å; Y537-H810 AromaticContact CE2-NE2 3.97Å | ||
| 538 | Q | 85.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | -167.7 | -167.3 | -173.9 | 55.1 | 0 | 0 | 112.7 | S530 F531 R540 E555 | S530-Q538 PolarHBondContact OG-NE2 3.35Å; S530-Q538 VanDerWaalsContact OG-NE2 3.17Å; F531-Q538 CarbonylContact O-C 3.48Å; F531-Q538 WeakPolarHBondContact O-CA 3.33Å; Q538-R540 HydrophobicContact CG-CG 4.16Å; Q538-R540 VanDerWaalsContact OE1-NH1 3.11Å; Q538-E555 PolarHBondContact N-OE1 3.01Å |
| 539 | T | 79.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.4 | 161.3 | -60 | 0 | 0 | 0 | 0 | 109.4 | S530 F531 Y541 V552 H553 R554 | S530-T539 CarbonylContact C-O 3.54Å; S530-T539 VanDerWaalsContact CA-O 3.23Å; S530-T539 WeakPolarHBondContact CA-O 3.33Å; F531-T539 PolarHBondContact N-O 2.97Å; F531-T539 PolarHBondContact O-N 2.78Å; T539-Y541 HydrophobicContact CG2-CE1 4.13Å; T539-Y541 HydrophobicContact CG2-CE2 3.86Å; T539-V552 HydrophobicContact CG2-CG1 3.73Å; T539-H553 CarbonylContact C-O 3.59Å; T539-H553 VanDerWaalsContact CA-O 3.3Å; T539-H553 WeakPolarHBondContact CA-O 3.33Å; T539-H553 WeakPolarHBondContact CG2-O 3.29Å; T539-R554 HydrophobicContact CG2-CG 4.16Å |
| 540 | R | 90.2 | Very high | 84.3 | Confident | 122 Ų | 122 | 37.5 Ų | 37.5 | 46% | 0.46 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.6 | 175.8 | -60.8 | -171.7 | -64.6 | -86.4 | -5.3 | 111.1 | L529 Q538 H553 | L529-R540 CarbonylContact O-C 3.51Å; L529-R540 VanDerWaalsContact O-CA 3.27Å; L529-R540 WeakPolarHBondContact O-CA 2.86Å; Q538-R540 HydrophobicContact CG-CG 4.16Å; Q538-R540 VanDerWaalsContact OE1-NH1 3.11Å; R540-H553 HydrophobicContact CB-CB 4.35Å; R540-H553 PolarHBondContact N-O 3.48Å; R540-H553 PolarHBondContact O-N 2.85Å |
| 541 | Y | 86 | Confident | 84.2 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.3 | -174.2 | -52.3 | -99.3 | 0 | 0 | 0 | 110.9 | L528 L529 F531 T539 H543 M549 A551 V552 Y1315 | L528-Y541 HydrophobicContact CB-CD2 4.48Å; L528-Y541 HydrophobicContact CD2-CD2 4.05Å; L528-Y541 HydrophobicContact CD2-CE2 3.52Å; L528-Y541 HydrophobicContact CG-CD2 3.91Å; L528-Y541 HydrophobicContact CG-CE2 3.84Å; L528-Y541 WeakPolarHBondContact O-CB 3.27Å; L529-Y541 PolarHBondContact O-N 2.75Å; F531-Y541 HydrophobicContact CB-CE2 4.07Å; T539-Y541 HydrophobicContact CG2-CE1 4.13Å; T539-Y541 HydrophobicContact CG2-CE2 3.86Å; Y541-H543 PolarHBondContact O-ND1 3.38Å; Y541-M549 HydrophobicContact CD1-SD 3.82Å; Y541-A551 WeakPolarHBondContact CA-O 3.26Å; Y541-V552 HydrophobicContact CD1-CB 4.48Å; Y541-V552 HydrophobicContact CD1-CG1 4.04Å; Y541-V552 HydrophobicContact CD1-CG2 3.97Å; Y541-V552 HydrophobicContact CE1-CG1 3.87Å; Y541-V552 HydrophobicContact CE1-CG2 4.31Å; Y541-Y1315 WeakPolarHBondContact OH-CD1 3.04Å; Y541-Y1315 WeakPolarHBondContact OH-CE1 3.43Å; Y541-Y1315 VanDerWaalsContact OH-CZ 3.31Å |
| 542 | D | 91.7 | Very high | 84.2 | Confident | 78 Ų | 78 | 37.2 Ų | 37.2 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.3 | 175.7 | -72.4 | 9.8 | 0 | 0 | 0 | 109.8 | M549 T550 A551 H553 | D542-M549 CarbonylContact O-C 3.55Å; D542-M549 WeakPolarHBondContact O-CA 3.29Å; D542-T550 PolarHBondContact O-N 2.87Å; D542-T550 PolarHBondContact O-OG1 2.69Å; D542-A551 HydrophobicContact CB-CB 3.97Å; D542-A551 PolarHBondContact N-O 2.91Å; D542-A551 PolarHBondContact O-N 2.84Å; D542-H553 IonicContact OD1-CD2 2.83Å; D542-H553 IonicContact OD1-NE2 3.28Å; D542-H553 IonicContact OD2-NE2 3.66Å; D542-H553 PolarHBondContact OD2-NE2 3.11Å |
| 543 | H | 88.2 | Confident | 84.3 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 17% | 0.171 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.8 | -179.9 | -65.1 | 84.2 | 0 | 0 | 0 | 110.8 | Y291 Q527 L528 Y541 Q548 | Y291-H543 PolarHBondContact OH-O 3.45Å; Y291-H543 VanDerWaalsContact OH-O 3.12Å; Q527-H543 PolarHBondContact NE2-CD2 2.92Å; Q527-H543 VanDerWaalsContact NE2-CG 3.25Å; L528-H543 PolarHBondContact O-CE1 2.92Å; L528-H543 VanDerWaalsContact O-CE1 3.26Å; Y541-H543 PolarHBondContact O-ND1 3.38Å; H543-Q548 CarbonylContact C-O 3.59Å; H543-Q548 WeakPolarHBondContact CA-O 3.31Å |
| 544 | D | 90 | Very high | 84.5 | Confident | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | trans | -90.1 | 170 | 167.9 | 83.3 | -0.5 | 0 | 0 | 0 | 112.9 | F546 G547 Q548 T550 | D544-F546 PolarHBondContact O-N 3.14Å; D544-F546 WeakPolarHBondContact OD1-CA 3.23Å; D544-F546 WeakPolarHBondContact OD1-CB 3.38Å; D544-F546 PolarHBondContact OD1-N 3.19Å; D544-G547 PolarHBondContact O-N 3.3Å; D544-G547 PolarHBondContact OD1-N 2.79Å; D544-Q548 PolarHBondContact N-O 3.22Å; D544-Q548 WeakPolarHBondContact OD1-CB 3.22Å; D544-Q548 PolarHBondContact OD1-N 2.86Å; D544-Q548 PolarHBondContact OD1-NE2 3.47Å; D544-Q548 PolarHBondContact OD2-NE2 3.1Å; D544-T550 HydrophobicContact CB-CG2 3.87Å | ||
| 545 | R | 88.8 | Confident | 84.9 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -15.2 | 177.3 | 71 | -179.5 | -179.9 | -167.4 | -5.1 | 115.7 | Y291 N294 L295 | Y291-R545 HydrophobicContact CD1-CB 4.17Å; Y291-R545 HydrophobicContact CD2-CB 3.73Å; Y291-R545 HydrophobicContact CE2-CB 4.19Å; Y291-R545 HydrophobicContact CG-CB 3.73Å; N294-R545 WeakPolarHBondContact O-CD 3.41Å; N294-R545 PolarHBondContact O-NH1 2.97Å; N294-R545 PolarHBondContact OD1-NH1 2.77Å; L295-R545 PolarHBondContact O-NH1 3.24Å |
| 546 | F | 86.4 | Confident | 85 | Confident | 35 Ų | 35 | 43 Ų | 43 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -1.3 | 177.6 | -57.7 | -65.9 | 0 | 0 | 0 | 112.3 | L55 P296 L300 R317 D544 Q548 | L55-F546 HydrophobicContact CD2-CB 4.33Å; L55-F546 HydrophobicContact CD2-CD1 4.33Å; P296-F546 HydrophobicContact CB-CE1 4.47Å; P296-F546 HydrophobicContact CG-CE1 3.89Å; P296-F546 HydrophobicContact CG-CZ 4.27Å; L300-F546 HydrophobicContact CD2-CD1 4.35Å; L300-F546 HydrophobicContact CD2-CE1 3.84Å; R317-F546 VanDerWaalsContact NH1-CG 3.28Å; D544-F546 PolarHBondContact O-N 3.14Å; D544-F546 WeakPolarHBondContact OD1-CA 3.23Å; D544-F546 WeakPolarHBondContact OD1-CB 3.38Å; D544-F546 PolarHBondContact OD1-N 3.19Å; F546-Q548 HydrophobicContact CB-CG 4.41Å |
| 547 | G | 80.7 | Confident | 84.7 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 24% | 0.237 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 93.4 | 2.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q527 D544 | Q527-G547 VanDerWaalsContact NE2-CA 3.33Å; Q527-G547 PolarHBondContact NE2-O 2.83Å; D544-G547 PolarHBondContact O-N 3.3Å; D544-G547 PolarHBondContact OD1-N 2.79Å |
| 548 | Q | 80.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | trans | -82.4 | 130.2 | -175 | -57.3 | 163.4 | 117.2 | 0 | 0 | 109.4 | H543 D544 F546 T550 Y564 | H543-Q548 CarbonylContact C-O 3.59Å; H543-Q548 WeakPolarHBondContact CA-O 3.31Å; D544-Q548 PolarHBondContact N-O 3.22Å; D544-Q548 WeakPolarHBondContact OD1-CB 3.22Å; D544-Q548 PolarHBondContact OD1-N 2.86Å; D544-Q548 PolarHBondContact OD1-NE2 3.47Å; D544-Q548 PolarHBondContact OD2-NE2 3.1Å; F546-Q548 HydrophobicContact CB-CG 4.41Å; Q548-T550 PolarHBondContact O-N 3.02Å; Q548-Y564 HydrophobicContact CB-CD2 3.94Å; Q548-Y564 HydrophobicContact CB-CE1 4.37Å; Q548-Y564 HydrophobicContact CB-CE2 3.78Å; Q548-Y564 HydrophobicContact CB-CG 4.33Å; Q548-Y564 HydrophobicContact CG-CD1 4.47Å; Q548-Y564 HydrophobicContact CG-CG 4.49Å | ||
| 549 | M | 83.2 | Confident | 84.6 | Confident | 17 Ų | 17 | 40 Ų | 40 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 116.9 | 178.1 | 179.7 | 175.9 | 61.5 | 0 | 0 | 110.5 | Y541 D542 V552 R562 Y564 F1317 N1318 | Y541-M549 HydrophobicContact CD1-SD 3.82Å; D542-M549 CarbonylContact O-C 3.55Å; D542-M549 WeakPolarHBondContact O-CA 3.29Å; M549-V552 HydrophobicContact CE-CG2 4.18Å; M549-V552 HydrophobicContact CG-CG2 4.36Å; M549-V552 HydrophobicContact SD-CG2 3.61Å; M549-R562 WeakPolarHBondContact O-CD 3.31Å; M549-Y564 WeakPolarHBondContact O-CE2 3.2Å; M549-Y564 PolarHBondContact O-OH 3.46Å; M549-F1317 VanDerWaalsContact CE-O 3.22Å; M549-F1317 WeakPolarHBondContact CE-O 3.29Å; M549-N1318 VanDerWaalsContact CE-OD1 3.27Å; M549-N1318 WeakPolarHBondContact CE-OD1 3.16Å |
| 550 | T | 87.7 | Confident | 84.7 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -27.1 | -175.4 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | D542 D544 Q548 Y561 R562 | D542-T550 PolarHBondContact O-N 2.87Å; D542-T550 PolarHBondContact O-OG1 2.69Å; D544-T550 HydrophobicContact CB-CG2 3.87Å; Q548-T550 PolarHBondContact O-N 3.02Å; T550-Y561 CarbonylContact O-C 3.59Å; T550-Y561 WeakPolarHBondContact O-CA 3.04Å; T550-R562 PolarHBondContact O-N 2.81Å |
| 551 | A | 85.7 | Confident | 84.7 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 157.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y541 D542 Q560 Y561 | Y541-A551 WeakPolarHBondContact CA-O 3.26Å; D542-A551 HydrophobicContact CB-CB 3.97Å; D542-A551 PolarHBondContact N-O 2.91Å; D542-A551 PolarHBondContact O-N 2.84Å; A551-Q560 CarbonylContact C-O 3.54Å; A551-Q560 WeakPolarHBondContact CA-O 3.45Å; A551-Q560 WeakPolarHBondContact CB-O 3.43Å; A551-Y561 HydrophobicContact CB-CD1 3.67Å; A551-Y561 HydrophobicContact CB-CE1 3.92Å; A551-Y561 HydrophobicContact CB-CG 4.49Å |
| 552 | V | 81.8 | Confident | 84.8 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.1 | 169.9 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | T539 Y541 M549 S559 Q560 | T539-V552 HydrophobicContact CG2-CG1 3.73Å; Y541-V552 HydrophobicContact CD1-CB 4.48Å; Y541-V552 HydrophobicContact CD1-CG1 4.04Å; Y541-V552 HydrophobicContact CD1-CG2 3.97Å; Y541-V552 HydrophobicContact CE1-CG1 3.87Å; Y541-V552 HydrophobicContact CE1-CG2 4.31Å; M549-V552 HydrophobicContact CE-CG2 4.18Å; M549-V552 HydrophobicContact CG-CG2 4.36Å; M549-V552 HydrophobicContact SD-CG2 3.61Å; V552-S559 CarbonylContact O-C 3.59Å; V552-S559 VanDerWaalsContact O-CA 3.29Å; V552-S559 WeakPolarHBondContact O-CA 3.41Å; V552-Q560 PolarHBondContact N-O 2.69Å; V552-Q560 PolarHBondContact O-N 2.76Å |
| 553 | H | 87.9 | Confident | 84.7 | Confident | 32 Ų | 32 | 40 Ų | 40 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.3 | 179.9 | -58.2 | -71 | 0 | 0 | 0 | 110 | T539 R540 D542 S559 | T539-H553 CarbonylContact C-O 3.59Å; T539-H553 VanDerWaalsContact CA-O 3.3Å; T539-H553 WeakPolarHBondContact CA-O 3.33Å; T539-H553 WeakPolarHBondContact CG2-O 3.29Å; R540-H553 HydrophobicContact CB-CB 4.35Å; R540-H553 PolarHBondContact N-O 3.48Å; R540-H553 PolarHBondContact O-N 2.85Å; D542-H553 IonicContact OD1-CD2 2.83Å; D542-H553 IonicContact OD1-NE2 3.28Å; D542-H553 IonicContact OD2-NE2 3.66Å; D542-H553 PolarHBondContact OD2-NE2 3.11Å; H553-S559 WeakPolarHBondContact ND1-CB 3.35Å; H553-S559 PolarHBondContact ND1-OG 3.38Å |
| 554 | R | 80.7 | Confident | 84.7 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 25% | 0.253 | 21% | 0.214 | S | C | . | . | trans | -105.5 | 178.5 | 177.9 | -60.9 | 177.7 | 177.4 | 176.9 | -4.5 | 110.7 | T539 L558 L809 | T539-R554 HydrophobicContact CG2-CG 4.16Å; R554-L558 HydrophobicContact CB-CB 4.46Å; R554-L558 PolarHBondContact N-O 3.35Å; R554-L809 HydrophobicContact CB-CD2 4.03Å | ||
| 555 | E | 81.9 | Confident | 84.7 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -55.2 | 167.1 | 166.5 | -68.8 | -72.3 | 144.9 | 0 | 0 | 111.9 | Y537 Q538 G557 L558 R808 L809 | Y537-E555 HydrophobicContact CD1-CG 4.26Å; Y537-E555 HydrophobicContact CG-CG 4.2Å; Q538-E555 PolarHBondContact N-OE1 3.01Å; E555-G557 PolarHBondContact O-N 2.75Å; E555-L558 PolarHBondContact O-N 3.03Å; E555-R808 HydrophobicContact CB-CB 4.03Å; E555-R808 HydrophobicContact CG-CB 4.14Å; E555-R808 IonicContact OE2-CZ 2.73Å; E555-R808 IonicContact OE2-NE 3.96Å; E555-R808 PolarHBondContact OE2-NE 2.79Å; E555-R808 IonicContact OE2-NH2 3.26Å; E555-L809 HydrophobicContact CB-CD2 3.9Å; E555-L809 HydrophobicContact CB-CG 4.27Å |
| 556 | E | 80.7 | Confident | 84.7 | Confident | 100 Ų | 100 | 42 Ų | 42 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | 60.8 | 9.1 | -178.4 | -51.8 | -172.4 | 165.2 | 0 | 0 | 115 | L558 L809 R811 | E556-L558 HydrophobicContact CB-CG 4.35Å; E556-L809 HydrophobicContact CB-CD1 4.35Å; E556-L809 HydrophobicContact CG-CD1 4.18Å; E556-L809 HydrophobicContact CG-CG 4.46Å; E556-R811 IonicContact OE1-NH2 3.66Å; E556-R811 IonicContact OE2-CZ 3.73Å; E556-R811 IonicContact OE2-NH2 2.78Å; E556-R811 PolarHBondContact OE2-NH2 2.75Å |
| 557 | G | 79.1 | Confident | 84.7 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 63% | 0.629 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | 84.6 | 5.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E555 S559 | E555-G557 PolarHBondContact O-N 2.75Å; G557-S559 PolarHBondContact O-N 3.5Å; G557-S559 PolarHBondContact O-OG 2.95Å |
| 558 | L | 80.7 | Confident | 84.8 | Confident | 21 Ų | 21 | 42.7 Ų | 42.7 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | trans | -70.2 | 123.6 | -176.3 | -51.4 | -170.5 | 0 | 0 | 0 | 110.4 | R554 E555 E556 T576 L809 P828 | R554-L558 HydrophobicContact CB-CB 4.46Å; R554-L558 PolarHBondContact N-O 3.35Å; E555-L558 PolarHBondContact O-N 3.03Å; E556-L558 HydrophobicContact CB-CG 4.35Å; L558-T576 HydrophobicContact CB-CG2 3.98Å; L558-L809 HydrophobicContact CD1-CD1 3.42Å; L558-L809 VanDerWaalsContact CD1-CD1 3.42Å; L558-L809 HydrophobicContact CG-CD1 4.28Å; L558-P828 WeakPolarHBondContact CD1-O 3.35Å; L558-P828 HydrophobicContact CD2-CB 3.75Å; L558-P828 WeakPolarHBondContact CD2-O 3.25Å | ||
| 559 | S | 85.6 | Confident | 84.8 | Confident | 20 Ų | 20 | 42 Ų | 42 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 120.6 | -173.3 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | V552 H553 G557 Y561 T576 | V552-S559 CarbonylContact O-C 3.59Å; V552-S559 VanDerWaalsContact O-CA 3.29Å; V552-S559 WeakPolarHBondContact O-CA 3.41Å; H553-S559 WeakPolarHBondContact ND1-CB 3.35Å; H553-S559 PolarHBondContact ND1-OG 3.38Å; G557-S559 PolarHBondContact O-N 3.5Å; G557-S559 PolarHBondContact O-OG 2.95Å; S559-Y561 WeakPolarHBondContact O-CE2 3.45Å; S559-T576 WeakPolarHBondContact O-CA 3.18Å |
| 560 | Q | 80.4 | Confident | 84.8 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 143.4 | 173.3 | -168.2 | -175.7 | 20.7 | 0 | 0 | 109.5 | A551 V552 V573 K574 N1318 | A551-Q560 CarbonylContact C-O 3.54Å; A551-Q560 WeakPolarHBondContact CA-O 3.45Å; A551-Q560 WeakPolarHBondContact CB-O 3.43Å; V552-Q560 PolarHBondContact N-O 2.69Å; V552-Q560 PolarHBondContact O-N 2.76Å; Q560-V573 HydrophobicContact CG-CG1 4.41Å; Q560-K574 WeakPolarHBondContact CG-O 3.29Å; Q560-N1318 PolarHBondContact OE1-ND2 2.9Å |
| 561 | Y | 90.8 | Very high | 84.9 | Confident | 112 Ų | 112 | 43.2 Ų | 43.2 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.9 | -179.6 | -57.7 | -90.9 | 0 | 0 | 0 | 113 | T550 A551 S559 V573 K574 | T550-Y561 CarbonylContact O-C 3.59Å; T550-Y561 WeakPolarHBondContact O-CA 3.04Å; A551-Y561 HydrophobicContact CB-CD1 3.67Å; A551-Y561 HydrophobicContact CB-CE1 3.92Å; A551-Y561 HydrophobicContact CB-CG 4.49Å; S559-Y561 WeakPolarHBondContact O-CE2 3.45Å; Y561-V573 CarbonylContact O-C 3.44Å; Y561-V573 WeakPolarHBondContact O-CA 3.5Å; Y561-K574 PolarHBondContact N-O 2.89Å; Y561-K574 PolarHBondContact O-N 3.31Å |
| 562 | R | 88.2 | Confident | 85 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146 | -178.8 | -61.6 | 179.9 | 175.4 | -114.5 | -7.3 | 111.2 | M549 T550 Y564 L570 A572 V573 N1318 | M549-R562 WeakPolarHBondContact O-CD 3.31Å; T550-R562 PolarHBondContact O-N 2.81Å; R562-Y564 HydrophobicContact CB-CE2 3.89Å; R562-L570 HydrophobicContact CB-CD1 4.07Å; R562-L570 HydrophobicContact CG-CD1 4.42Å; R562-A572 WeakPolarHBondContact CA-O 3.18Å; R562-V573 HydrophobicContact CG-CG2 4.41Å; R562-N1318 PolarHBondContact NH1-O 2.56Å; R562-N1318 PolarHBondContact NH2-O 2.81Å; R562-N1318 PolarHBondContact NH2-OD1 2.74Å |
| 563 | A | 88.7 | Confident | 85.1 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 33% | 0.331 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I571 A572 | A563-I571 HydrophobicContact CB-CG1 4.2Å; A563-I571 WeakPolarHBondContact O-CG1 3.13Å; A563-I571 PolarHBondContact O-N 3.49Å; A563-A572 HydrophobicContact CB-CB 4.16Å; A563-A572 PolarHBondContact N-O 2.98Å; A563-A572 PolarHBondContact O-N 3.02Å |
| 564 | Y | 89.6 | Confident | 85.2 | Confident | 49 Ų | 49 | 46.6 Ų | 46.6 | 19% | 0.192 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.9 | -177.5 | -62 | -94.6 | 0 | 0 | 0 | 110.6 | Q548 M549 R562 Q569 L570 | Q548-Y564 HydrophobicContact CB-CD2 3.94Å; Q548-Y564 HydrophobicContact CB-CE1 4.37Å; Q548-Y564 HydrophobicContact CB-CE2 3.78Å; Q548-Y564 HydrophobicContact CB-CG 4.33Å; Q548-Y564 HydrophobicContact CG-CD1 4.47Å; Q548-Y564 HydrophobicContact CG-CG 4.49Å; M549-Y564 WeakPolarHBondContact O-CE2 3.2Å; M549-Y564 PolarHBondContact O-OH 3.46Å; R562-Y564 HydrophobicContact CB-CE2 3.89Å; Y564-Q569 CarbonylContact C-O 3.53Å; Y564-Q569 VanDerWaalsContact CA-O 3.27Å; Y564-Q569 WeakPolarHBondContact CA-O 3.47Å; Y564-L570 HydrophobicContact CD1-CB 4.22Å; Y564-L570 HydrophobicContact CD1-CD1 4.36Å; Y564-L570 HydrophobicContact CE1-CB 4Å; Y564-L570 HydrophobicContact CE1-CD1 3.87Å; Y564-L570 HydrophobicContact CE2-CD1 4.28Å |
| 565 | D | 90.3 | Very high | 85.2 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.214 | 25% | 0.25 | C | C | . | . | trans | -80.7 | -179.1 | 173.9 | 82.9 | -16.6 | 0 | 0 | 0 | 112.9 | R317 R567 G568 Q569 I571 | R317-D565 PolarHBondContact NH2-O 2.87Å; D565-R567 PolarHBondContact O-N 3.07Å; D565-R567 VanDerWaalsContact OD1-CA 3.32Å; D565-R567 WeakPolarHBondContact OD1-CA 3.36Å; D565-R567 WeakPolarHBondContact OD1-CB 3.07Å; D565-R567 PolarHBondContact OD1-N 2.93Å; D565-G568 PolarHBondContact O-N 3.46Å; D565-G568 PolarHBondContact OD1-N 2.87Å; D565-Q569 PolarHBondContact N-O 2.92Å; D565-Q569 PolarHBondContact OD1-N 2.92Å; D565-I571 HydrophobicContact CB-CD1 4.3Å; D565-I571 HydrophobicContact CB-CG2 3.82Å | ||
| 566 | S | 87.8 | Confident | 85.1 | Confident | 79 Ų | 79 | 45.7 Ų | 45.7 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.3 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | R317 S318 | R317-S566 WeakPolarHBondContact CD-O 3.36Å; R317-S566 WeakPolarHBondContact CG-O 3.26Å; R317-S566 PolarHBondContact NE-O 2.99Å; S318-S566 WeakPolarHBondContact CB-OG 3.33Å |
| 567 | R | 85.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 45 Ų | 45 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -21.6 | 174.7 | -56.2 | -175 | 79.2 | -167.9 | 0.9 | 113.1 | D316 S318 D565 Q569 A587 | D316-R567 IonicContact OD2-CZ 2.81Å; D316-R567 VanDerWaalsContact OD2-CZ 3.27Å; D316-R567 IonicContact OD2-NE 3.57Å; D316-R567 PolarHBondContact OD2-NE 2.89Å; D316-R567 IonicContact OD2-NH2 3.36Å; D316-R567 PolarHBondContact OD2-NH2 3.43Å; S318-R567 WeakPolarHBondContact OG-CG 3.23Å; D565-R567 PolarHBondContact O-N 3.07Å; D565-R567 VanDerWaalsContact OD1-CA 3.32Å; D565-R567 WeakPolarHBondContact OD1-CA 3.36Å; D565-R567 WeakPolarHBondContact OD1-CB 3.07Å; D565-R567 PolarHBondContact OD1-N 2.93Å; R567-Q569 HydrophobicContact CB-CG 4.12Å; R567-A587 PolarHBondContact NH1-O 2.81Å |
| 568 | G | 83.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 100.4 | 15.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | R317 D565 | R317-G568 VanDerWaalsContact NH2-N 3.18Å; D565-G568 PolarHBondContact O-N 3.46Å; D565-G568 PolarHBondContact OD1-N 2.87Å |
| 569 | Q | 81.3 | Confident | 85.5 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | trans | -83.8 | 134.4 | 176.5 | -54.9 | -178 | -11.8 | 0 | 0 | 108.6 | Y564 D565 R567 I571 Y585 | Y564-Q569 CarbonylContact C-O 3.53Å; Y564-Q569 VanDerWaalsContact CA-O 3.27Å; Y564-Q569 WeakPolarHBondContact CA-O 3.47Å; D565-Q569 PolarHBondContact N-O 2.92Å; D565-Q569 PolarHBondContact OD1-N 2.92Å; R567-Q569 HydrophobicContact CB-CG 4.12Å; Q569-I571 PolarHBondContact O-N 3.14Å; Q569-Y585 HydrophobicContact CB-CD2 4.01Å; Q569-Y585 HydrophobicContact CB-CE2 3.76Å; Q569-Y585 VanDerWaalsContact OE1-CB 3.31Å; Q569-Y585 VanDerWaalsContact OE1-CG 3.28Å | ||
| 570 | L | 82.7 | Confident | 85.7 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 113.4 | 178.3 | 178.6 | 71 | 0 | 0 | 0 | 109 | R562 Y564 V573 Y583 Y585 | R562-L570 HydrophobicContact CB-CD1 4.07Å; R562-L570 HydrophobicContact CG-CD1 4.42Å; Y564-L570 HydrophobicContact CD1-CB 4.22Å; Y564-L570 HydrophobicContact CD1-CD1 4.36Å; Y564-L570 HydrophobicContact CE1-CB 4Å; Y564-L570 HydrophobicContact CE1-CD1 3.87Å; Y564-L570 HydrophobicContact CE2-CD1 4.28Å; L570-V573 HydrophobicContact CD1-CG2 4.07Å; L570-V573 HydrophobicContact CD2-CG2 3.87Å; L570-V573 HydrophobicContact CG-CG2 4.26Å; L570-Y583 HydrophobicContact CD2-CE2 4.1Å; L570-Y583 HydrophobicContact CG-CD2 4.25Å; L570-Y583 HydrophobicContact CG-CE2 4.21Å; L570-Y583 VanDerWaalsContact O-CB 3.3Å; L570-Y583 WeakPolarHBondContact O-CB 3.38Å; L570-Y583 WeakPolarHBondContact O-CD2 3.41Å; L570-Y585 WeakPolarHBondContact O-CE2 3.38Å; L570-Y585 PolarHBondContact O-OH 3.37Å |
| 571 | I | 90.1 | Very high | 85.8 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 33% | 0.328 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -20.3 | -176.1 | 54.3 | 170.2 | 0 | 0 | 0 | 114.1 | A563 D565 Q569 R582 Y583 | A563-I571 HydrophobicContact CB-CG1 4.2Å; A563-I571 WeakPolarHBondContact O-CG1 3.13Å; A563-I571 PolarHBondContact O-N 3.49Å; D565-I571 HydrophobicContact CB-CD1 4.3Å; D565-I571 HydrophobicContact CB-CG2 3.82Å; Q569-I571 PolarHBondContact O-N 3.14Å; I571-R582 CarbonylContact O-C 3.57Å; I571-R582 VanDerWaalsContact O-CA 3.27Å; I571-R582 WeakPolarHBondContact O-CA 3.43Å; I571-Y583 PolarHBondContact O-N 2.87Å |
| 572 | A | 88.2 | Confident | 85.9 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R562 A563 E580 T581 R582 | R562-A572 WeakPolarHBondContact CA-O 3.18Å; A563-A572 HydrophobicContact CB-CB 4.16Å; A563-A572 PolarHBondContact N-O 2.98Å; A563-A572 PolarHBondContact O-N 3.02Å; A572-E580 HydrophobicContact CB-CG 4Å; A572-T581 CarbonylContact C-O 3.59Å; A572-T581 WeakPolarHBondContact CA-O 3.42Å; A572-R582 HydrophobicContact CB-CG 4.24Å |
| 573 | V | 84 | Confident | 85.8 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 11% | 0.109 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.3 | 167.6 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | Q560 Y561 R562 L570 E580 T581 Y583 | Q560-V573 HydrophobicContact CG-CG1 4.41Å; Y561-V573 CarbonylContact O-C 3.44Å; Y561-V573 WeakPolarHBondContact O-CA 3.5Å; R562-V573 HydrophobicContact CG-CG2 4.41Å; L570-V573 HydrophobicContact CD1-CG2 4.07Å; L570-V573 HydrophobicContact CD2-CG2 3.87Å; L570-V573 HydrophobicContact CG-CG2 4.26Å; V573-E580 WeakPolarHBondContact O-CA 3.15Å; V573-T581 PolarHBondContact N-O 2.75Å; V573-T581 PolarHBondContact O-N 3.09Å; V573-Y583 HydrophobicContact CG2-CE2 4.05Å |
| 574 | K | 89.4 | Confident | 86 | Confident | 83 Ų | 83 | 48 Ų | 48 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130 | 168.9 | -62.5 | -174.7 | -179.5 | -178.3 | 0 | 110.4 | Q560 Y561 H579 E580 | Q560-K574 WeakPolarHBondContact CG-O 3.29Å; Y561-K574 PolarHBondContact N-O 2.89Å; Y561-K574 PolarHBondContact O-N 3.31Å; K574-H579 VanDerWaalsContact CA-O 3.25Å; K574-H579 WeakPolarHBondContact CA-O 3.08Å; K574-E580 WeakPolarHBondContact CE-OE1 3.18Å; K574-E580 HydrophobicContact CG-CB 3.96Å; K574-E580 HydrophobicContact CG-CG 3.9Å; K574-E580 IonicContact NZ-OE1 2.95Å; K574-E580 PolarHBondContact NZ-OE1 3.4Å |
| 575 | D | 79.5 | Confident | 85.9 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | trans | -71.5 | -176.6 | 171.8 | 78.6 | 1.4 | 0 | 0 | 0 | 111.9 | Q577 G578 H579 | D575-Q577 VanDerWaalsContact C-N 3.26Å; D575-Q577 PolarHBondContact O-N 2.81Å; D575-Q577 WeakPolarHBondContact OD1-CA 3.37Å; D575-Q577 PolarHBondContact OD1-N 2.87Å; D575-G578 PolarHBondContact O-N 2.87Å; D575-G578 PolarHBondContact OD1-N 3.14Å; D575-H579 PolarHBondContact N-O 3.48Å; D575-H579 VanDerWaalsContact N-O 3.08Å; D575-H579 IonicContact OD1-CG 3.67Å; D575-H579 PolarHBondContact OD1-N 2.9Å; D575-H579 IonicContact OD1-ND1 2.75Å; D575-H579 IonicContact OD2-CE1 2.85Å; D575-H579 IonicContact OD2-CG 2.71Å; D575-H579 IonicContact OD2-ND1 3.85Å; D575-H579 PolarHBondContact OD2-ND1 3.17Å | ||
| 576 | T | 81.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -77.4 | -6.2 | -178.6 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | L558 S559 P828 A829 | L558-T576 HydrophobicContact CB-CG2 3.98Å; S559-T576 WeakPolarHBondContact O-CA 3.18Å; T576-P828 WeakPolarHBondContact CB-O 3.33Å; T576-P828 PolarHBondContact OG1-O 2.94Å; T576-A829 VanDerWaalsContact OG1-CA 3.32Å; T576-A829 WeakPolarHBondContact OG1-CA 3.47Å |
| 577 | Q | 79.8 | Confident | 85.8 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -98.5 | -17.6 | 169.9 | -67.6 | -172.1 | 35.5 | 0 | 0 | 112.2 | D575 H579 T827 P828 A829 | D575-Q577 VanDerWaalsContact C-N 3.26Å; D575-Q577 PolarHBondContact O-N 2.81Å; D575-Q577 WeakPolarHBondContact OD1-CA 3.37Å; D575-Q577 PolarHBondContact OD1-N 2.87Å; Q577-H579 PolarHBondContact OE1-CE1 3.25Å; Q577-T827 PolarHBondContact NE2-OG1 3.43Å; Q577-T827 VanDerWaalsContact NE2-OG1 3.16Å; Q577-P828 HydrophobicContact CG-CB 4.38Å; Q577-A829 HydrophobicContact CG-CB 4Å |
| 578 | G | 85 | Confident | 85.6 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | trans | 105.4 | 5.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D575 | D575-G578 PolarHBondContact O-N 2.87Å; D575-G578 PolarHBondContact OD1-N 3.14Å | ||
| 579 | H | 83.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | trans | -66.9 | 133.1 | 175.6 | -51.7 | 124.4 | 0 | 0 | 0 | 110.1 | K574 D575 Q577 P597 | K574-H579 VanDerWaalsContact CA-O 3.25Å; K574-H579 WeakPolarHBondContact CA-O 3.08Å; D575-H579 PolarHBondContact N-O 3.48Å; D575-H579 VanDerWaalsContact N-O 3.08Å; D575-H579 IonicContact OD1-CG 3.67Å; D575-H579 PolarHBondContact OD1-N 2.9Å; D575-H579 IonicContact OD1-ND1 2.75Å; D575-H579 IonicContact OD2-CE1 2.85Å; D575-H579 IonicContact OD2-CG 2.71Å; D575-H579 IonicContact OD2-ND1 3.85Å; D575-H579 PolarHBondContact OD2-ND1 3.17Å; Q577-H579 PolarHBondContact OE1-CE1 3.25Å; H579-P597 HydrophobicContact CB-CB 3.89Å; H579-P597 HydrophobicContact CB-CG 3.79Å | ||
| 580 | E | 89.3 | Confident | 85.6 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 23% | 0.234 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 109.8 | -169.3 | -171 | 179.4 | -122 | 0 | 0 | 112.7 | A572 V573 K574 R582 | A572-E580 HydrophobicContact CB-CG 4Å; V573-E580 WeakPolarHBondContact O-CA 3.15Å; K574-E580 WeakPolarHBondContact CE-OE1 3.18Å; K574-E580 HydrophobicContact CG-CB 3.96Å; K574-E580 HydrophobicContact CG-CG 3.9Å; K574-E580 IonicContact NZ-OE1 2.95Å; K574-E580 PolarHBondContact NZ-OE1 3.4Å; E580-R582 HydrophobicContact CG-CG 4.08Å; E580-R582 IonicContact OE2-CZ 3.4Å; E580-R582 IonicContact OE2-NE 2.64Å; E580-R582 PolarHBondContact OE2-NE 3.45Å; E580-R582 IonicContact OE2-NH2 2.71Å; E580-R582 PolarHBondContact OE2-NH2 2.99Å |
| 581 | T | 82.7 | Confident | 85.6 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.4 | 167.4 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | A572 V573 Y583 V594 I595 N1249 | A572-T581 CarbonylContact C-O 3.59Å; A572-T581 WeakPolarHBondContact CA-O 3.42Å; V573-T581 PolarHBondContact N-O 2.75Å; V573-T581 PolarHBondContact O-N 3.09Å; T581-Y583 HydrophobicContact CG2-CE1 4.35Å; T581-Y583 HydrophobicContact CG2-CE2 4.39Å; T581-V594 HydrophobicContact CG2-CG1 3.71Å; T581-I595 CarbonylContact C-O 3.56Å; T581-I595 WeakPolarHBondContact CA-O 3.1Å; T581-I595 WeakPolarHBondContact CG2-O 3.42Å; T581-N1249 PolarHBondContact OG1-OD1 2.77Å |
| 582 | R | 92.1 | Very high | 85.5 | Confident | 133 Ų | 133 | 46.2 Ų | 46.2 | 50% | 0.502 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 156.5 | -177.9 | -56.9 | -178.8 | -179.1 | 169.1 | 2.3 | 113.1 | I571 A572 E580 V594 I595 | I571-R582 CarbonylContact O-C 3.57Å; I571-R582 VanDerWaalsContact O-CA 3.27Å; I571-R582 WeakPolarHBondContact O-CA 3.43Å; A572-R582 HydrophobicContact CB-CG 4.24Å; E580-R582 HydrophobicContact CG-CG 4.08Å; E580-R582 IonicContact OE2-CZ 3.4Å; E580-R582 IonicContact OE2-NE 2.64Å; E580-R582 PolarHBondContact OE2-NE 3.45Å; E580-R582 IonicContact OE2-NH2 2.71Å; E580-R582 PolarHBondContact OE2-NH2 2.99Å; R582-V594 CarbonylContact O-C 3.49Å; R582-V594 WeakPolarHBondContact O-CA 3.2Å; R582-I595 HydrophobicContact CB-CB 4.2Å; R582-I595 HydrophobicContact CB-CD1 4.31Å; R582-I595 HydrophobicContact CB-CG1 4.41Å; R582-I595 PolarHBondContact N-O 3.04Å; R582-I595 PolarHBondContact O-N 2.9Å |
| 583 | Y | 87.8 | Confident | 85.5 | Confident | 49 Ų | 49 | 46.6 Ų | 46.6 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.6 | -173.7 | -54.5 | -84.4 | 0 | 0 | 0 | 111.4 | L570 I571 V573 T581 L591 V594 | L570-Y583 HydrophobicContact CD2-CE2 4.1Å; L570-Y583 HydrophobicContact CG-CD2 4.25Å; L570-Y583 HydrophobicContact CG-CE2 4.21Å; L570-Y583 VanDerWaalsContact O-CB 3.3Å; L570-Y583 WeakPolarHBondContact O-CB 3.38Å; L570-Y583 WeakPolarHBondContact O-CD2 3.41Å; I571-Y583 PolarHBondContact O-N 2.87Å; V573-Y583 HydrophobicContact CG2-CE2 4.05Å; T581-Y583 HydrophobicContact CG2-CE1 4.35Å; T581-Y583 HydrophobicContact CG2-CE2 4.39Å; Y583-L591 HydrophobicContact CD1-CD1 3.94Å; Y583-L591 HydrophobicContact CD1-CD2 4.35Å; Y583-L591 HydrophobicContact CG-CD1 4.27Å; Y583-V594 HydrophobicContact CD1-CB 4.45Å; Y583-V594 HydrophobicContact CD1-CG1 3.96Å; Y583-V594 HydrophobicContact CD1-CG2 3.96Å; Y583-V594 HydrophobicContact CE1-CG1 3.78Å; Y583-V594 HydrophobicContact CE1-CG2 4.23Å |
| 584 | E | 92 | Very high | 85.5 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.2 | 176.6 | -55.9 | 177.9 | 157.4 | 0 | 0 | 110.2 | L591 T592 T593 I595 R601 | E584-L591 CarbonylContact O-C 3.59Å; E584-T592 PolarHBondContact O-N 2.89Å; E584-T592 PolarHBondContact O-OG1 2.61Å; E584-T593 PolarHBondContact N-O 2.97Å; E584-T593 PolarHBondContact O-N 3.04Å; E584-T593 VanDerWaalsContact O-N 3.14Å; E584-T593 WeakPolarHBondContact OE2-CB 3.46Å; E584-T593 PolarHBondContact OE2-OG1 3.06Å; E584-I595 HydrophobicContact CG-CD1 4.46Å; E584-R601 VanDerWaalsContact CD-NH1 3.28Å; E584-R601 IonicContact OE1-CZ 2.65Å; E584-R601 VanDerWaalsContact OE1-CZ 3.29Å; E584-R601 IonicContact OE1-NH1 3.99Å; E584-R601 PolarHBondContact OE1-NH1 2.84Å; E584-R601 IonicContact OE1-NH2 2.81Å; E584-R601 PolarHBondContact OE1-NH2 3.48Å; E584-R601 IonicContact OE2-CZ 2.71Å; E584-R601 IonicContact OE2-NH1 2.69Å; E584-R601 PolarHBondContact OE2-NH1 2.81Å; E584-R601 IonicContact OE2-NH2 3.21Å |
| 585 | Y | 88.5 | Confident | 85.4 | Confident | 64 Ų | 64 | 43 Ų | 43 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155 | -176.5 | -59.6 | -97.8 | 0 | 0 | 0 | 112.5 | Q569 L570 G589 D590 L591 | Q569-Y585 HydrophobicContact CB-CD2 4.01Å; Q569-Y585 HydrophobicContact CB-CE2 3.76Å; Q569-Y585 VanDerWaalsContact OE1-CB 3.31Å; Q569-Y585 VanDerWaalsContact OE1-CG 3.28Å; L570-Y585 WeakPolarHBondContact O-CE2 3.38Å; L570-Y585 PolarHBondContact O-OH 3.37Å; Y585-G589 WeakPolarHBondContact CD1-O 3.48Å; Y585-D590 CarbonylContact C-O 3.56Å; Y585-D590 WeakPolarHBondContact CA-O 3.39Å; Y585-L591 HydrophobicContact CD1-CB 3.97Å; Y585-L591 HydrophobicContact CD1-CD1 4.15Å; Y585-L591 HydrophobicContact CD2-CD1 4.49Å; Y585-L591 HydrophobicContact CE1-CB 3.79Å; Y585-L591 HydrophobicContact CE1-CD1 3.73Å; Y585-L591 HydrophobicContact CE1-CG 4.36Å; Y585-L591 HydrophobicContact CE2-CD1 4.11Å |
| 586 | N | 88.7 | Confident | 85.4 | Confident | 50 Ų | 50 | 41 Ų | 41 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | trans | -84.3 | 177.6 | 170.2 | 75.9 | 17.9 | 0 | 0 | 0 | 112.7 | A588 G589 D590 T592 | N586-A588 VanDerWaalsContact C-N 3.27Å; N586-A588 PolarHBondContact O-N 3.41Å; N586-A588 WeakPolarHBondContact OD1-CA 3.4Å; N586-A588 WeakPolarHBondContact OD1-CB 3.4Å; N586-A588 PolarHBondContact OD1-N 2.91Å; N586-G589 PolarHBondContact O-N 3.1Å; N586-G589 PolarHBondContact OD1-N 3.33Å; N586-G589 VanDerWaalsContact OD1-N 3.1Å; N586-D590 PolarHBondContact N-O 3.07Å; N586-D590 WeakPolarHBondContact ND2-CB 3.41Å; N586-D590 PolarHBondContact ND2-OD2 3.25Å; N586-D590 PolarHBondContact OD1-N 3.11Å; N586-D590 PolarHBondContact OD1-OD2 3.01Å; N586-T592 HydrophobicContact CB-CG2 3.76Å | ||
| 587 | A | 86 | Confident | 85.4 | Confident | 66 Ų | 66 | 40.9 Ų | 40.9 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R567 G589 | R567-A587 PolarHBondContact NH1-O 2.81Å; A587-G589 PolarHBondContact O-N 3.23Å |
| 588 | A | 82.7 | Confident | 85.5 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T341 R343 N586 | T341-A588 WeakPolarHBondContact O-CA 3.47Å; T341-A588 VanDerWaalsContact O-CB 3.28Å; T341-A588 WeakPolarHBondContact O-CB 3.34Å; R343-A588 VanDerWaalsContact NH1-CB 3.27Å; N586-A588 VanDerWaalsContact C-N 3.27Å; N586-A588 PolarHBondContact O-N 3.41Å; N586-A588 WeakPolarHBondContact OD1-CA 3.4Å; N586-A588 WeakPolarHBondContact OD1-CB 3.4Å; N586-A588 PolarHBondContact OD1-N 2.91Å |
| 589 | G | 82.9 | Confident | 85.5 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 91.9 | 15.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y585 N586 A587 | Y585-G589 WeakPolarHBondContact CD1-O 3.48Å; N586-G589 PolarHBondContact O-N 3.1Å; N586-G589 PolarHBondContact OD1-N 3.33Å; N586-G589 VanDerWaalsContact OD1-N 3.1Å; A587-G589 PolarHBondContact O-N 3.23Å |
| 590 | D | 82.2 | Confident | 85.2 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | trans | -80.9 | 136.8 | 174.3 | -47.5 | -47.8 | 0 | 0 | 0 | 110.8 | R343 Y585 N586 T592 Y606 | R343-D590 IonicContact CZ-OD1 2.8Å; R343-D590 IonicContact CZ-OD2 3.63Å; R343-D590 IonicContact NH1-OD1 3.41Å; R343-D590 IonicContact NH1-OD2 3.66Å; R343-D590 PolarHBondContact NH1-OD2 3.17Å; R343-D590 VanDerWaalsContact NH2-CG 3.27Å; R343-D590 IonicContact NH2-OD1 2.71Å; R343-D590 PolarHBondContact NH2-OD1 3.47Å; R343-D590 IonicContact NH2-OD2 2.73Å; R343-D590 PolarHBondContact NH2-OD2 2.94Å; R343-D590 VanDerWaalsContact NH2-OD2 3.11Å; Y585-D590 CarbonylContact C-O 3.56Å; Y585-D590 WeakPolarHBondContact CA-O 3.39Å; N586-D590 PolarHBondContact N-O 3.07Å; N586-D590 WeakPolarHBondContact ND2-CB 3.41Å; N586-D590 PolarHBondContact ND2-OD2 3.25Å; N586-D590 PolarHBondContact OD1-N 3.11Å; N586-D590 PolarHBondContact OD1-OD2 3.01Å; D590-T592 PolarHBondContact O-N 3.29Å; D590-Y606 HydrophobicContact CB-CD1 3.74Å; D590-Y606 HydrophobicContact CB-CD2 3.67Å; D590-Y606 HydrophobicContact CB-CE1 3.51Å; D590-Y606 HydrophobicContact CB-CE2 3.47Å; D590-Y606 VanDerWaalsContact CB-CE2 3.47Å; D590-Y606 HydrophobicContact CB-CG 3.85Å; D590-Y606 VanDerWaalsContact CB-CZ 3.42Å | ||
| 591 | L | 82.5 | Confident | 85.1 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 111.3 | 178.8 | -179.6 | 69.9 | 0 | 0 | 0 | 110 | Y583 E584 Y585 V594 Y606 T1254 | Y583-L591 HydrophobicContact CD1-CD1 3.94Å; Y583-L591 HydrophobicContact CD1-CD2 4.35Å; Y583-L591 HydrophobicContact CG-CD1 4.27Å; E584-L591 CarbonylContact O-C 3.59Å; Y585-L591 HydrophobicContact CD1-CB 3.97Å; Y585-L591 HydrophobicContact CD1-CD1 4.15Å; Y585-L591 HydrophobicContact CD2-CD1 4.49Å; Y585-L591 HydrophobicContact CE1-CB 3.79Å; Y585-L591 HydrophobicContact CE1-CD1 3.73Å; Y585-L591 HydrophobicContact CE1-CG 4.36Å; Y585-L591 HydrophobicContact CE2-CD1 4.11Å; L591-V594 HydrophobicContact CD2-CG2 3.88Å; L591-V594 HydrophobicContact CG-CG2 4.39Å; L591-Y606 PolarHBondContact N-OH 2.95Å; L591-Y606 WeakPolarHBondContact O-CE2 3.48Å; L591-Y606 VanDerWaalsContact O-CZ 3.3Å; L591-Y606 PolarHBondContact O-OH 3.34Å; L591-T1254 HydrophobicContact CB-CG2 4.4Å; L591-T1254 HydrophobicContact CD2-CG2 4.02Å; L591-T1254 HydrophobicContact CG-CG2 3.91Å; L591-T1254 WeakPolarHBondContact O-CG2 3.13Å |
| 592 | T | 88.2 | Confident | 85.1 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -26.7 | -177.5 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | E584 N586 D590 G603 T604 Y606 | E584-T592 PolarHBondContact O-N 2.89Å; E584-T592 PolarHBondContact O-OG1 2.61Å; N586-T592 HydrophobicContact CB-CG2 3.76Å; D590-T592 PolarHBondContact O-N 3.29Å; T592-G603 CarbonylContact O-C 3.56Å; T592-G603 WeakPolarHBondContact O-CA 3.46Å; T592-T604 PolarHBondContact O-N 3.17Å; T592-Y606 HydrophobicContact CG2-CD2 4.4Å; T592-Y606 HydrophobicContact CG2-CE2 4.25Å |
| 593 | T | 87.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 10% | 0.104 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142.3 | 179.4 | -36 | 0 | 0 | 0 | 0 | 111 | E584 I595 R601 N602 | E584-T593 PolarHBondContact N-O 2.97Å; E584-T593 PolarHBondContact O-N 3.04Å; E584-T593 VanDerWaalsContact O-N 3.14Å; E584-T593 WeakPolarHBondContact OE2-CB 3.46Å; E584-T593 PolarHBondContact OE2-OG1 3.06Å; T593-I595 HydrophobicContact CG2-CG1 4.38Å; T593-R601 HydrophobicContact CG2-CB 4.32Å; T593-R601 HydrophobicContact CG2-CG 4.41Å; T593-N602 CarbonylContact C-O 3.55Å; T593-N602 VanDerWaalsContact CA-O 3.31Å; T593-N602 WeakPolarHBondContact CA-O 3.09Å |
| 594 | V | 83.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.3 | 159.7 | -170 | 0 | 0 | 0 | 0 | 108.7 | T581 R582 Y583 L591 N602 G1250 | T581-V594 HydrophobicContact CG2-CG1 3.71Å; R582-V594 CarbonylContact O-C 3.49Å; R582-V594 WeakPolarHBondContact O-CA 3.2Å; Y583-V594 HydrophobicContact CD1-CB 4.45Å; Y583-V594 HydrophobicContact CD1-CG1 3.96Å; Y583-V594 HydrophobicContact CD1-CG2 3.96Å; Y583-V594 HydrophobicContact CE1-CG1 3.78Å; Y583-V594 HydrophobicContact CE1-CG2 4.23Å; L591-V594 HydrophobicContact CD2-CG2 3.88Å; L591-V594 HydrophobicContact CG-CG2 4.39Å; V594-N602 PolarHBondContact N-O 3.23Å; V594-N602 PolarHBondContact O-N 3.39Å; V594-G1250 WeakPolarHBondContact CB-O 3.08Å; V594-G1250 WeakPolarHBondContact CG2-O 3.2Å |
| 595 | I | 87.1 | Confident | 84.5 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.5 | 179.3 | -40.6 | 179.9 | 0 | 0 | 0 | 107.4 | T581 R582 E584 T593 S600 R601 | T581-I595 CarbonylContact C-O 3.56Å; T581-I595 WeakPolarHBondContact CA-O 3.1Å; T581-I595 WeakPolarHBondContact CG2-O 3.42Å; R582-I595 HydrophobicContact CB-CB 4.2Å; R582-I595 HydrophobicContact CB-CD1 4.31Å; R582-I595 HydrophobicContact CB-CG1 4.41Å; R582-I595 PolarHBondContact N-O 3.04Å; R582-I595 PolarHBondContact O-N 2.9Å; E584-I595 HydrophobicContact CG-CD1 4.46Å; T593-I595 HydrophobicContact CG2-CG1 4.38Å; I595-S600 VanDerWaalsContact CA-O 3.29Å; I595-S600 WeakPolarHBondContact CA-O 3.19Å; I595-R601 VanDerWaalsContact CD1-NH2 3.33Å; I595-R601 HydrophobicContact CG1-CG 4.24Å; I595-R601 HydrophobicContact CG2-CG 4.21Å |
| 596 | A | 79.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | trans | -78 | 169.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D598 G599 S600 N1249 | A596-D598 VanDerWaalsContact C-N 3.27Å; A596-D598 PolarHBondContact O-N 2.8Å; A596-G599 WeakPolarHBondContact O-CA 3.5Å; A596-G599 PolarHBondContact O-N 3.38Å; A596-S600 WeakPolarHBondContact CB-OG 3.3Å; A596-S600 PolarHBondContact N-O 3.32Å; A596-N1249 HydrophobicContact CB-CB 4.16Å | ||
| 597 | P | 82.4 | Confident | 84.2 | Confident | 38 Ų | 38 | 37 Ų | 37 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32.8 | -177.5 | -28.8 | 37.9 | 0 | 0 | 0 | 115.1 | H579 G599 D850 N1249 | H579-P597 HydrophobicContact CB-CB 3.89Å; H579-P597 HydrophobicContact CB-CG 3.79Å; P597-G599 PolarHBondContact O-N 3.08Å; P597-D850 WeakPolarHBondContact CB-O 3.43Å; P597-N1249 WeakPolarHBondContact CD-OD1 3.43Å |
| 598 | D | 81 | Confident | 84.1 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -5.8 | 173.2 | 70.9 | -10.5 | 0 | 0 | 0 | 114.9 | A596 S600 N851 | A596-D598 VanDerWaalsContact C-N 3.27Å; A596-D598 PolarHBondContact O-N 2.8Å; D598-S600 WeakPolarHBondContact OD1-CA 3.31Å; D598-S600 WeakPolarHBondContact OD1-CB 3.19Å; D598-S600 PolarHBondContact OD1-N 3.01Å; D598-S600 PolarHBondContact OD1-OG 3.33Å; D598-N851 VanDerWaalsContact CB-OD1 3.24Å; D598-N851 WeakPolarHBondContact CB-OD1 3.43Å; D598-N851 PolarHBondContact N-OD1 3.49Å; D598-N851 VanDerWaalsContact N-OD1 3.17Å; D598-N851 PolarHBondContact OD1-OD1 3.41Å; D598-N851 PolarHBondContact OD2-ND2 2.96Å |
| 599 | G | 85.1 | Confident | 83.7 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | trans | 85.2 | 3.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | A596 P597 | A596-G599 WeakPolarHBondContact O-CA 3.5Å; A596-G599 PolarHBondContact O-N 3.38Å; P597-G599 PolarHBondContact O-N 3.08Å | ||
| 600 | S | 78.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | trans | -62.1 | 139.1 | 172.5 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | I595 A596 D598 | I595-S600 VanDerWaalsContact CA-O 3.29Å; I595-S600 WeakPolarHBondContact CA-O 3.19Å; A596-S600 WeakPolarHBondContact CB-OG 3.3Å; A596-S600 PolarHBondContact N-O 3.32Å; D598-S600 WeakPolarHBondContact OD1-CA 3.31Å; D598-S600 WeakPolarHBondContact OD1-CB 3.19Å; D598-S600 PolarHBondContact OD1-N 3.01Å; D598-S600 PolarHBondContact OD1-OG 3.33Å | ||
| 601 | R | 86.4 | Confident | 83.1 | Confident | 133 Ų | 133 | 41.4 Ų | 41.4 | 50% | 0.502 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124 | -170.9 | -79.1 | -177.7 | 160.9 | -99.5 | -3.9 | 111.4 | E584 T593 I595 | E584-R601 VanDerWaalsContact CD-NH1 3.28Å; E584-R601 IonicContact OE1-CZ 2.65Å; E584-R601 VanDerWaalsContact OE1-CZ 3.29Å; E584-R601 IonicContact OE1-NH1 3.99Å; E584-R601 PolarHBondContact OE1-NH1 2.84Å; E584-R601 IonicContact OE1-NH2 2.81Å; E584-R601 PolarHBondContact OE1-NH2 3.48Å; E584-R601 IonicContact OE2-CZ 2.71Å; E584-R601 IonicContact OE2-NH1 2.69Å; E584-R601 PolarHBondContact OE2-NH1 2.81Å; E584-R601 IonicContact OE2-NH2 3.21Å; T593-R601 HydrophobicContact CG2-CB 4.32Å; T593-R601 HydrophobicContact CG2-CG 4.41Å; I595-R601 VanDerWaalsContact CD1-NH2 3.33Å; I595-R601 HydrophobicContact CG1-CG 4.24Å; I595-R601 HydrophobicContact CG2-CG 4.21Å |
| 602 | N | 82.5 | Confident | 82.8 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.2 | -177.1 | -70.2 | -11.2 | 0 | 0 | 0 | 108.7 | T593 V594 Q617 G1250 L1251 | T593-N602 CarbonylContact C-O 3.55Å; T593-N602 VanDerWaalsContact CA-O 3.31Å; T593-N602 WeakPolarHBondContact CA-O 3.09Å; V594-N602 PolarHBondContact N-O 3.23Å; V594-N602 PolarHBondContact O-N 3.39Å; N602-Q617 WeakPolarHBondContact ND2-CG 3.45Å; N602-Q617 WeakPolarHBondContact OD1-CG 3.29Å; N602-G1250 WeakPolarHBondContact ND2-CA 2.97Å; N602-L1251 HydrophobicContact CB-CB 4.33Å; N602-L1251 HydrophobicContact CB-CD1 3.68Å; N602-L1251 PolarHBondContact ND2-N 3.24Å |
| 603 | G | 83.6 | Confident | 82.8 | Confident | 25 Ų | 25 | 41 Ų | 41 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.8 | -161.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T592 T616 | T592-G603 CarbonylContact O-C 3.56Å; T592-G603 WeakPolarHBondContact O-CA 3.46Å; G603-T616 PolarHBondContact N-O 2.79Å; G603-T616 PolarHBondContact O-N 3.41Å |
| 604 | T | 86.8 | Confident | 82.8 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.5 | -165.9 | -40.6 | 0 | 0 | 0 | 0 | 112.5 | T592 R614 T615 T1254 M1258 | T592-T604 PolarHBondContact O-N 3.17Å; T604-R614 CarbonylContact C-O 3.52Å; T604-R614 VanDerWaalsContact CA-O 3.31Å; T604-R614 WeakPolarHBondContact CA-O 3.35Å; T604-R614 WeakPolarHBondContact CG2-O 3.32Å; T604-T615 HydrophobicContact CG2-CG2 3.67Å; T604-T615 WeakPolarHBondContact CG2-OG1 3.5Å; T604-T615 WeakPolarHBondContact OG1-CG2 3.42Å; T604-T1254 VanDerWaalsContact CB-CG2 3.49Å; T604-T1254 HydrophobicContact CG2-CG2 4.37Å; T604-T1254 WeakPolarHBondContact OG1-CB 3.4Å; T604-T1254 WeakPolarHBondContact OG1-CG2 3.14Å; T604-T1254 PolarHBondContact OG1-OG1 3.13Å; T604-M1258 HydrophobicContact CG2-CE 3.34Å; T604-M1258 HydrophobicContact CG2-SD 3.2Å; T604-M1258 WeakPolarHBondContact CG2-SD 3.12Å |
| 605 | Q | 88.6 | Confident | 82.9 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.1 | -167 | -57.1 | 179.5 | -5.3 | 0 | 0 | 111.2 | V613 R614 M1258 | Q605-V613 HydrophobicContact CB-CG2 4.12Å; Q605-V613 WeakPolarHBondContact O-CG2 3.42Å; Q605-V613 PolarHBondContact O-N 2.82Å; Q605-R614 HydrophobicContact CB-CB 4.19Å; Q605-R614 HydrophobicContact CG-CB 4.44Å; Q605-R614 PolarHBondContact N-O 3.01Å; Q605-R614 PolarHBondContact O-N 3.15Å; Q605-M1258 VanDerWaalsContact C-CE 3.41Å; Q605-M1258 WeakPolarHBondContact O-CE 3.37Å |
| 606 | Y | 86.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 149.2 | -177.1 | -62 | -103.2 | 0 | 0 | 0 | 111 | D590 L591 T592 G610 K611 M1258 | D590-Y606 HydrophobicContact CB-CD1 3.74Å; D590-Y606 HydrophobicContact CB-CD2 3.67Å; D590-Y606 HydrophobicContact CB-CE1 3.51Å; D590-Y606 HydrophobicContact CB-CE2 3.47Å; D590-Y606 VanDerWaalsContact CB-CE2 3.47Å; D590-Y606 HydrophobicContact CB-CG 3.85Å; D590-Y606 VanDerWaalsContact CB-CZ 3.42Å; L591-Y606 PolarHBondContact N-OH 2.95Å; L591-Y606 WeakPolarHBondContact O-CE2 3.48Å; L591-Y606 VanDerWaalsContact O-CZ 3.3Å; L591-Y606 PolarHBondContact O-OH 3.34Å; T592-Y606 HydrophobicContact CG2-CD2 4.4Å; T592-Y606 HydrophobicContact CG2-CE2 4.25Å; Y606-G610 WeakPolarHBondContact CD1-O 3.3Å; Y606-K611 VanDerWaalsContact CA-O 3.28Å; Y606-K611 WeakPolarHBondContact CA-O 3.31Å; Y606-M1258 HydrophobicContact CD1-CE 3.5Å; Y606-M1258 VanDerWaalsContact CD1-CE 3.5Å; Y606-M1258 HydrophobicContact CD1-CG 3.75Å; Y606-M1258 HydrophobicContact CD1-SD 4.43Å; Y606-M1258 HydrophobicContact CD2-CE 3.36Å; Y606-M1258 HydrophobicContact CE1-CB 4.36Å; Y606-M1258 HydrophobicContact CE1-CE 3.4Å; Y606-M1258 HydrophobicContact CE1-CG 3.04Å; Y606-M1258 HydrophobicContact CE1-SD 3.86Å; Y606-M1258 HydrophobicContact CE2-CE 3.22Å; Y606-M1258 HydrophobicContact CE2-CG 4.44Å; Y606-M1258 HydrophobicContact CE2-SD 4.24Å; Y606-M1258 HydrophobicContact CG-CE 3.46Å; Y606-M1258 VanDerWaalsContact CG-CE 3.46Å; Y606-M1258 VanDerWaalsContact CZ-CG 3.42Å |
| 607 | D | 84.1 | Confident | 82.9 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | trans | -75.2 | -176.9 | 163.7 | 69.1 | 14 | 0 | 0 | 0 | 112.4 | W609 G610 K611 V613 | D607-W609 PolarHBondContact O-N 2.86Å; D607-W609 WeakPolarHBondContact OD1-CA 3.43Å; D607-W609 WeakPolarHBondContact OD1-CB 3.36Å; D607-W609 PolarHBondContact OD1-N 3.19Å; D607-G610 PolarHBondContact O-N 3.08Å; D607-G610 PolarHBondContact OD1-N 3.44Å; D607-K611 PolarHBondContact N-O 3.09Å; D607-K611 PolarHBondContact OD1-N 3.06Å; D607-V613 HydrophobicContact CB-CG1 3.81Å | ||
| 608 | A | 84 | Confident | 82.7 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -70.2 | -10.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R343 P344 A363 | R343-A608 WeakPolarHBondContact CD-O 3.35Å; P344-A608 WeakPolarHBondContact CD-O 3.31Å; P344-A608 HydrophobicContact CG-CB 3.93Å; A363-A608 HydrophobicContact CB-CB 4.09Å |
| 609 | W | 74.3 | Confident | 82.8 | Confident | 112 Ų | 112 | 46.9 Ų | 46.9 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -94.4 | -29 | 175.9 | -163.4 | -90 | 0 | 0 | 0 | 111.9 | R343 N361 A363 D607 | R343-W609 PolarHBondContact NE-O 2.71Å; N361-W609 HydrophobicContact CB-CH2 4.39Å; N361-W609 HydrophobicContact CB-CZ3 4.19Å; A363-W609 HydrophobicContact CB-CE3 4.13Å; A363-W609 VanDerWaalsContact O-CE3 3.24Å; D607-W609 PolarHBondContact O-N 2.86Å; D607-W609 WeakPolarHBondContact OD1-CA 3.43Å; D607-W609 WeakPolarHBondContact OD1-CB 3.36Å; D607-W609 PolarHBondContact OD1-N 3.19Å |
| 610 | G | 77.1 | Confident | 82.8 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 111.4 | 24.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | R343 Y606 D607 | R343-G610 VanDerWaalsContact CZ-CA 3.49Å; R343-G610 VanDerWaalsContact NH2-CA 3.26Å; Y606-G610 WeakPolarHBondContact CD1-O 3.3Å; D607-G610 PolarHBondContact O-N 3.08Å; D607-G610 PolarHBondContact OD1-N 3.44Å |
| 611 | K | 76.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | trans | -101 | 152.9 | 177.6 | -58.9 | 174.5 | 172.2 | -94.4 | 0 | 112.3 | Y606 D607 V613 Y626 G630 | Y606-K611 VanDerWaalsContact CA-O 3.28Å; Y606-K611 WeakPolarHBondContact CA-O 3.31Å; D607-K611 PolarHBondContact N-O 3.09Å; D607-K611 PolarHBondContact OD1-N 3.06Å; K611-V613 PolarHBondContact O-N 3.12Å; K611-Y626 HydrophobicContact CB-CD2 3.98Å; K611-Y626 HydrophobicContact CB-CE1 4.29Å; K611-Y626 HydrophobicContact CB-CE2 3.38Å; K611-Y626 HydrophobicContact CD-CD1 3.91Å; K611-Y626 HydrophobicContact CD-CD2 3.93Å; K611-Y626 HydrophobicContact CD-CE1 4.02Å; K611-Y626 HydrophobicContact CD-CE2 4.07Å; K611-Y626 HydrophobicContact CD-CG 3.89Å; K611-Y626 HydrophobicContact CG-CE2 4.36Å; K611-G630 PolarHBondContact NZ-O 2.69Å | ||
| 612 | A | 76.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 118.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | M624 Y626 L1255 M1258 | A612-M624 HydrophobicContact CB-CE 4.41Å; A612-M624 HydrophobicContact CB-SD 3.98Å; A612-M624 WeakPolarHBondContact O-CB 3.16Å; A612-Y626 PolarHBondContact N-OH 2.76Å; A612-Y626 WeakPolarHBondContact O-CE2 3.42Å; A612-Y626 VanDerWaalsContact O-CZ 3.24Å; A612-Y626 PolarHBondContact O-OH 3.01Å; A612-L1255 HydrophobicContact CB-CD2 3.99Å; A612-M1258 HydrophobicContact CB-CB 3.4Å; A612-M1258 HydrophobicContact CB-CE 4.08Å; A612-M1258 HydrophobicContact CB-CG 3.86Å; A612-M1258 HydrophobicContact CB-SD 3.5Å; A612-M1258 WeakPolarHBondContact CB-SD 3.26Å; A612-M1258 PolarHBondContact N-O 2.28Å |
| 613 | V | 87.1 | Confident | 83.6 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -28.7 | 163.7 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | Q605 D607 K611 S623 M624 Y626 | Q605-V613 HydrophobicContact CB-CG2 4.12Å; Q605-V613 WeakPolarHBondContact O-CG2 3.42Å; Q605-V613 PolarHBondContact O-N 2.82Å; D607-V613 HydrophobicContact CB-CG1 3.81Å; K611-V613 PolarHBondContact O-N 3.12Å; V613-S623 CarbonylContact O-C 3.54Å; V613-S623 WeakPolarHBondContact O-CA 3.42Å; V613-S623 WeakPolarHBondContact O-CB 3.4Å; V613-M624 PolarHBondContact O-N 3.23Å; V613-Y626 HydrophobicContact CG1-CE2 4.4Å |
| 614 | R | 88.7 | Confident | 83.8 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 138 | -176.8 | -173.1 | -177.3 | 173 | 150 | 10.5 | 112.7 | T604 Q605 T621 R622 | T604-R614 CarbonylContact C-O 3.52Å; T604-R614 VanDerWaalsContact CA-O 3.31Å; T604-R614 WeakPolarHBondContact CA-O 3.35Å; T604-R614 WeakPolarHBondContact CG2-O 3.32Å; Q605-R614 HydrophobicContact CB-CB 4.19Å; Q605-R614 HydrophobicContact CG-CB 4.44Å; Q605-R614 PolarHBondContact N-O 3.01Å; Q605-R614 PolarHBondContact O-N 3.15Å; R614-T621 HydrophobicContact CG-CG2 3.63Å; R614-T621 VanDerWaalsContact NE-CG2 3.25Å; R614-T621 PolarHBondContact NH2-OG1 3.49Å; R614-R622 CarbonylContact C-O 3.58Å; R614-R622 WeakPolarHBondContact CA-O 3.46Å |
| 615 | T | 86.3 | Confident | 84 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.7 | 179.6 | -39.7 | 0 | 0 | 0 | 0 | 110.1 | T604 T621 R622 L1251 L1255 | T604-T615 HydrophobicContact CG2-CG2 3.67Å; T604-T615 WeakPolarHBondContact CG2-OG1 3.5Å; T604-T615 WeakPolarHBondContact OG1-CG2 3.42Å; T615-T621 CarbonylContact O-C 3.53Å; T615-T621 VanDerWaalsContact O-CA 3.31Å; T615-T621 WeakPolarHBondContact O-CA 3.5Å; T615-R622 PolarHBondContact N-O 2.81Å; T615-R622 PolarHBondContact O-N 3.31Å; T615-L1251 HydrophobicContact CG2-CD1 3.48Å; T615-L1251 VanDerWaalsContact CG2-CD1 3.48Å; T615-L1251 HydrophobicContact CG2-CD2 3.65Å; T615-L1251 HydrophobicContact CG2-CG 3.44Å; T615-L1251 VanDerWaalsContact CG2-CG 3.44Å; T615-L1255 HydrophobicContact CG2-CD1 3.74Å; T615-L1255 HydrophobicContact CG2-CD2 4.49Å; T615-L1255 HydrophobicContact CG2-CG 3.77Å; T615-L1255 VanDerWaalsContact OG1-CD2 3.25Å; T615-L1255 WeakPolarHBondContact OG1-CD2 3.4Å; T615-L1255 WeakPolarHBondContact OG1-CG 3.39Å |
| 616 | T | 85.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 43.3 Ų | 43.3 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 119.8 | -176.1 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | G603 L620 T621 L1251 | G603-T616 PolarHBondContact N-O 2.79Å; G603-T616 PolarHBondContact O-N 3.41Å; T616-L620 CarbonylContact C-O 3.58Å; T616-L620 VanDerWaalsContact CA-O 3.23Å; T616-L620 WeakPolarHBondContact CA-O 3.33Å; T616-T621 PolarHBondContact OG1-OG1 2.96Å; T616-T621 VanDerWaalsContact OG1-OG1 3.07Å; T616-L1251 VanDerWaalsContact C-CD1 3.47Å; T616-L1251 WeakPolarHBondContact O-CD1 3.47Å |
| 617 | Q | 80 | Confident | 83.9 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125 | 177.8 | -157.2 | 179.2 | -8 | 0 | 0 | 110.1 | N602 G619 L620 T871 L1251 | N602-Q617 WeakPolarHBondContact ND2-CG 3.45Å; N602-Q617 WeakPolarHBondContact OD1-CG 3.29Å; Q617-G619 PolarHBondContact O-N 3.06Å; Q617-L620 PolarHBondContact N-O 3.03Å; Q617-L620 WeakPolarHBondContact O-CA 3.41Å; Q617-L620 WeakPolarHBondContact O-CB 3.33Å; Q617-L620 PolarHBondContact O-N 2.72Å; Q617-T871 HydrophobicContact CB-CG2 4.02Å; Q617-T871 HydrophobicContact CG-CG2 3.89Å; Q617-T871 VanDerWaalsContact O-CG2 3.3Å; Q617-T871 WeakPolarHBondContact O-CG2 3.48Å; Q617-L1251 HydrophobicContact CB-CB 4.28Å; Q617-L1251 HydrophobicContact CB-CD1 3.49Å; Q617-L1251 VanDerWaalsContact CB-CD1 3.49Å; Q617-L1251 HydrophobicContact CB-CD2 3.77Å; Q617-L1251 HydrophobicContact CB-CG 4Å; Q617-L1251 HydrophobicContact CG-CB 4.02Å; Q617-L1251 HydrophobicContact CG-CD1 3.96Å; Q617-L1251 HydrophobicContact CG-CD2 4.37Å; Q617-L1251 HydrophobicContact CG-CG 4.3Å |
| 618 | G | 77.4 | Confident | 83.8 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 26.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | T870 | G618-T870 VanDerWaalsContact CA-OG1 3.28Å; G618-T870 WeakPolarHBondContact CA-OG1 3.23Å |
| 619 | G | 83 | Confident | 83.6 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -19 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q617 | Q617-G619 PolarHBondContact O-N 3.06Š|
| 620 | L | 85.4 | Confident | 83.8 | Confident | 43 Ų | 43 | 37.9 Ų | 37.9 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.1 | 176.6 | -52.5 | -175.8 | 0 | 0 | 0 | 110.7 | T616 Q617 E638 T871 R873 P894 | T616-L620 CarbonylContact C-O 3.58Å; T616-L620 VanDerWaalsContact CA-O 3.23Å; T616-L620 WeakPolarHBondContact CA-O 3.33Å; Q617-L620 PolarHBondContact N-O 3.03Å; Q617-L620 WeakPolarHBondContact O-CA 3.41Å; Q617-L620 WeakPolarHBondContact O-CB 3.33Å; Q617-L620 PolarHBondContact O-N 2.72Å; L620-E638 HydrophobicContact CB-CB 4.17Å; L620-E638 HydrophobicContact CB-CG 3.92Å; L620-T871 HydrophobicContact CD1-CG2 3.98Å; L620-T871 HydrophobicContact CG-CG2 4.25Å; L620-R873 VanDerWaalsContact CD1-CZ 3.49Å; L620-P894 HydrophobicContact CD2-CB 4.05Å |
| 621 | T | 86.9 | Confident | 84 | Confident | 35 Ų | 35 | 39.4 Ų | 39.4 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.9 | -175.8 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | R614 T615 T616 E638 | R614-T621 HydrophobicContact CG-CG2 3.63Å; R614-T621 VanDerWaalsContact NE-CG2 3.25Å; R614-T621 PolarHBondContact NH2-OG1 3.49Å; T615-T621 CarbonylContact O-C 3.53Å; T615-T621 VanDerWaalsContact O-CA 3.31Å; T615-T621 WeakPolarHBondContact O-CA 3.5Å; T616-T621 PolarHBondContact OG1-OG1 2.96Å; T616-T621 VanDerWaalsContact OG1-OG1 3.07Å; T621-E638 VanDerWaalsContact O-CA 3.29Å; T621-E638 WeakPolarHBondContact O-CA 3.42Å |
| 622 | R | 87.9 | Confident | 84.3 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.9 | 165.1 | -70.2 | -178.1 | 179.3 | 147.8 | 2.9 | 109.8 | R614 T615 E638 W1218 | R614-R622 CarbonylContact C-O 3.58Å; R614-R622 WeakPolarHBondContact CA-O 3.46Å; T615-R622 PolarHBondContact N-O 2.81Å; T615-R622 PolarHBondContact O-N 3.31Å; R622-E638 HydrophobicContact CG-CG 3.81Å; R622-E638 WeakPolarHBondContact CG-OE2 3.32Å; R622-E638 IonicContact CZ-OE1 2.92Å; R622-E638 VanDerWaalsContact CZ-OE1 3.29Å; R622-E638 IonicContact CZ-OE2 2.76Å; R622-E638 IonicContact NE-OE1 3.83Å; R622-E638 PolarHBondContact NE-OE1 3.36Å; R622-E638 IonicContact NE-OE2 2.8Å; R622-E638 PolarHBondContact NE-OE2 3.32Å; R622-E638 IonicContact NH2-OE1 3.91Å; R622-E638 PolarHBondContact NH2-OE1 3.46Å; R622-E638 IonicContact NH2-OE2 3.17Å; R622-W1218 HydrophobicContact CB-CE3 4.29Å; R622-W1218 HydrophobicContact CB-CH2 3.83Å; R622-W1218 HydrophobicContact CB-CZ3 3.45Å; R622-W1218 VanDerWaalsContact CB-CZ3 3.45Å; R622-W1218 HydrophobicContact CG-CE3 3.87Å; R622-W1218 HydrophobicContact CG-CH2 4.29Å; R622-W1218 HydrophobicContact CG-CZ3 3.55Å |
| 623 | S | 89.4 | Confident | 84.9 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156.6 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | V613 L635 T636 | V613-S623 CarbonylContact O-C 3.54Å; V613-S623 WeakPolarHBondContact O-CA 3.42Å; V613-S623 WeakPolarHBondContact O-CB 3.4Å; S623-L635 CarbonylContact O-C 3.48Å; S623-L635 WeakPolarHBondContact O-CA 3.47Å; S623-T636 PolarHBondContact N-O 3.08Å; S623-T636 PolarHBondContact O-N 3.2Å; S623-T636 WeakPolarHBondContact OG-CB 3.42Å |
| 624 | M | 88.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.2 | 179.8 | -58.1 | 76.6 | 167.8 | 0 | 0 | 110.1 | A612 V613 Y626 R634 L635 W1218 L1255 I1259 | A612-M624 HydrophobicContact CB-CE 4.41Å; A612-M624 HydrophobicContact CB-SD 3.98Å; A612-M624 WeakPolarHBondContact O-CB 3.16Å; V613-M624 PolarHBondContact O-N 3.23Å; M624-Y626 HydrophobicContact CB-CE2 4.31Å; M624-R634 WeakPolarHBondContact CA-O 3.49Å; M624-L635 HydrophobicContact CB-CD2 4.17Å; M624-L635 HydrophobicContact CG-CD2 3.5Å; M624-W1218 HydrophobicContact CE-CH2 3.75Å; M624-W1218 HydrophobicContact CE-CZ2 3.69Å; M624-W1218 HydrophobicContact SD-CH2 4.18Å; M624-L1255 HydrophobicContact CE-CD2 3.3Å; M624-L1255 HydrophobicContact SD-CD2 4.27Å; M624-I1259 HydrophobicContact CE-CD1 4.28Å |
| 625 | E | 90.1 | Very high | 85.3 | Confident | 79 Ų | 79 | 38.6 Ų | 38.6 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.1 | 171.1 | -58.4 | 174 | -155 | 0 | 0 | 108.7 | V632 I633 R634 | E625-V632 CarbonylContact O-C 3.58Å; E625-V632 WeakPolarHBondContact O-CA 3.38Å; E625-I633 HydrophobicContact CB-CD1 4.36Å; E625-I633 HydrophobicContact CB-CG1 3.9Å; E625-I633 WeakPolarHBondContact O-CG1 3.47Å; E625-I633 PolarHBondContact O-N 2.83Å; E625-R634 HydrophobicContact CB-CB 4.02Å; E625-R634 HydrophobicContact CG-CB 4.2Å; E625-R634 PolarHBondContact N-O 3.44Å; E625-R634 PolarHBondContact O-N 3.26Å; E625-R634 WeakPolarHBondContact OE1-CD 3.27Å; E625-R634 IonicContact OE1-CZ 3.85Å; E625-R634 IonicContact OE1-NE 3.21Å; E625-R634 IonicContact OE1-NH1 2.68Å; E625-R634 PolarHBondContact OE1-NH1 3.41Å |
| 626 | Y | 85.9 | Confident | 85.5 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 157.6 | 175.3 | -49.8 | -87.7 | 0 | 0 | 0 | 112 | K611 A612 V613 M624 G630 R631 V632 | K611-Y626 HydrophobicContact CB-CD2 3.98Å; K611-Y626 HydrophobicContact CB-CE1 4.29Å; K611-Y626 HydrophobicContact CB-CE2 3.38Å; K611-Y626 HydrophobicContact CD-CD1 3.91Å; K611-Y626 HydrophobicContact CD-CD2 3.93Å; K611-Y626 HydrophobicContact CD-CE1 4.02Å; K611-Y626 HydrophobicContact CD-CE2 4.07Å; K611-Y626 HydrophobicContact CD-CG 3.89Å; K611-Y626 HydrophobicContact CG-CE2 4.36Å; A612-Y626 PolarHBondContact N-OH 2.76Å; A612-Y626 WeakPolarHBondContact O-CE2 3.42Å; A612-Y626 VanDerWaalsContact O-CZ 3.24Å; A612-Y626 PolarHBondContact O-OH 3.01Å; V613-Y626 HydrophobicContact CG1-CE2 4.4Å; M624-Y626 HydrophobicContact CB-CE2 4.31Å; Y626-G630 WeakPolarHBondContact CD1-O 3.4Å; Y626-R631 CarbonylContact C-O 3.48Å; Y626-R631 WeakPolarHBondContact CA-O 3.29Å; Y626-V632 HydrophobicContact CD1-CG2 3.91Å; Y626-V632 HydrophobicContact CE1-CG2 3.56Å |
| 627 | D | 86.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | trans | -88.2 | -177.2 | 164.1 | 67 | 18.3 | 0 | 0 | 0 | 112.9 | A629 G630 R631 I633 | D627-A629 VanDerWaalsContact C-N 3.26Å; D627-A629 PolarHBondContact O-N 2.94Å; D627-A629 WeakPolarHBondContact OD1-CA 3.39Å; D627-A629 WeakPolarHBondContact OD1-CB 3.46Å; D627-A629 PolarHBondContact OD1-N 2.87Å; D627-G630 WeakPolarHBondContact O-CA 3.42Å; D627-G630 PolarHBondContact O-N 3.33Å; D627-G630 PolarHBondContact OD1-N 2.86Å; D627-R631 PolarHBondContact N-O 2.89Å; D627-R631 PolarHBondContact OD1-N 2.85Å; D627-R631 IonicContact OD1-NE 3Å; D627-R631 IonicContact OD2-CZ 3.17Å; D627-R631 IonicContact OD2-NE 3.42Å; D627-R631 PolarHBondContact OD2-NE 2.9Å; D627-R631 IonicContact OD2-NH2 3.37Å; D627-R631 PolarHBondContact OD2-NH2 3.1Å; D627-I633 HydrophobicContact CB-CG2 3.84Å | ||
| 628 | A | 82 | Confident | 85.8 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G364 L365 | G364-A628 CarbonylContact C-O 3.43Å; G364-A628 VanDerWaalsContact C-O 3.26Å; G364-A628 VanDerWaalsContact CA-O 3.27Å; G364-A628 WeakPolarHBondContact CA-O 3.32Å; L365-A628 HydrophobicContact CD2-CB 4.37Å; L365-A628 WeakPolarHBondContact CG-O 3.33Å; L365-A628 PolarHBondContact N-O 3.37Å |
| 629 | A | 80.1 | Confident | 86.3 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 24% | 0.24 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L365 L382 D627 R631 | L365-A629 HydrophobicContact CD1-CB 3.94Å; L365-A629 HydrophobicContact CD2-CB 4.25Å; L365-A629 HydrophobicContact CG-CB 4.21Å; L382-A629 HydrophobicContact CD1-CB 4.21Å; D627-A629 VanDerWaalsContact C-N 3.26Å; D627-A629 PolarHBondContact O-N 2.94Å; D627-A629 WeakPolarHBondContact OD1-CA 3.39Å; D627-A629 WeakPolarHBondContact OD1-CB 3.46Å; D627-A629 PolarHBondContact OD1-N 2.87Å; A629-R631 VanDerWaalsContact C-N 3.32Å; A629-R631 HydrophobicContact CB-CG 4Å |
| 630 | G | 78.1 | Confident | 86.5 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | trans | 79 | 16.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K611 Y626 D627 | K611-G630 PolarHBondContact NZ-O 2.69Å; Y626-G630 WeakPolarHBondContact CD1-O 3.4Å; D627-G630 WeakPolarHBondContact O-CA 3.42Å; D627-G630 PolarHBondContact O-N 3.33Å; D627-G630 PolarHBondContact OD1-N 2.86Å | ||
| 631 | R | 81.1 | Confident | 86.6 | Confident | 47 Ų | 47 | 33.6 Ų | 33.6 | 18% | 0.177 | 19% | 0.192 | C | C | . | . | trans | -82.3 | 141.6 | 176.3 | -55.3 | 174.2 | -63 | -170.3 | 12.4 | 109.1 | Y626 D627 A629 I633 Y647 D648 D651 | Y626-R631 CarbonylContact C-O 3.48Å; Y626-R631 WeakPolarHBondContact CA-O 3.29Å; D627-R631 PolarHBondContact N-O 2.89Å; D627-R631 PolarHBondContact OD1-N 2.85Å; D627-R631 IonicContact OD1-NE 3Å; D627-R631 IonicContact OD2-CZ 3.17Å; D627-R631 IonicContact OD2-NE 3.42Å; D627-R631 PolarHBondContact OD2-NE 2.9Å; D627-R631 IonicContact OD2-NH2 3.37Å; D627-R631 PolarHBondContact OD2-NH2 3.1Å; A629-R631 VanDerWaalsContact C-N 3.32Å; A629-R631 HydrophobicContact CB-CG 4Å; R631-I633 PolarHBondContact O-N 2.93Å; R631-Y647 HydrophobicContact CB-CD2 3.96Å; R631-Y647 HydrophobicContact CB-CE1 4.34Å; R631-Y647 HydrophobicContact CB-CE2 3.6Å; R631-Y647 HydrophobicContact CG-CD2 4.5Å; R631-D648 PolarHBondContact NH1-O 2.91Å; R631-D651 VanDerWaalsContact CD-OD1 3.25Å; R631-D651 WeakPolarHBondContact CD-OD1 2.77Å; R631-D651 IonicContact CZ-OD1 2.82Å; R631-D651 IonicContact NE-OD1 2.88Å; R631-D651 PolarHBondContact NE-OD1 2.87Å; R631-D651 IonicContact NH1-OD1 2.8Å; R631-D651 PolarHBondContact NH1-OD1 2.99Å | ||
| 632 | V | 84.3 | Confident | 86.7 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.4 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | E625 Y626 L635 F645 Y647 | E625-V632 CarbonylContact O-C 3.58Å; E625-V632 WeakPolarHBondContact O-CA 3.38Å; Y626-V632 HydrophobicContact CD1-CG2 3.91Å; Y626-V632 HydrophobicContact CE1-CG2 3.56Å; V632-L635 HydrophobicContact CG1-CD2 3.57Å; V632-L635 HydrophobicContact CG1-CG 4.02Å; V632-F645 HydrophobicContact CB-CD2 4.3Å; V632-F645 HydrophobicContact CB-CE2 4.35Å; V632-F645 HydrophobicContact CG1-CD2 3.83Å; V632-F645 HydrophobicContact CG1-CE2 3.6Å; V632-F645 WeakPolarHBondContact O-CB 3.25Å; V632-F645 WeakPolarHBondContact O-CD2 3.42Å; V632-Y647 WeakPolarHBondContact O-CE2 3.24Å; V632-Y647 PolarHBondContact O-OH 3.11Å |
| 633 | I | 89.2 | Confident | 86.7 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 30% | 0.303 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -21 | 174.6 | 57.2 | 172 | 0 | 0 | 0 | 112.6 | E625 D627 R631 T644 F645 | E625-I633 HydrophobicContact CB-CD1 4.36Å; E625-I633 HydrophobicContact CB-CG1 3.9Å; E625-I633 WeakPolarHBondContact O-CG1 3.47Å; E625-I633 PolarHBondContact O-N 2.83Å; D627-I633 HydrophobicContact CB-CG2 3.84Å; R631-I633 PolarHBondContact O-N 2.93Å; I633-T644 VanDerWaalsContact O-CA 3.26Å; I633-T644 WeakPolarHBondContact O-CA 3.38Å; I633-F645 PolarHBondContact O-N 2.81Å |
| 634 | R | 92 | Very high | 86.9 | Confident | 75 Ų | 75 | 35 Ų | 35 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 143.9 | 176.5 | -163.9 | -171.7 | -162.5 | -177.1 | 4.1 | 112.4 | M624 E625 H642 T643 T644 | M624-R634 WeakPolarHBondContact CA-O 3.49Å; E625-R634 HydrophobicContact CB-CB 4.02Å; E625-R634 HydrophobicContact CG-CB 4.2Å; E625-R634 PolarHBondContact N-O 3.44Å; E625-R634 PolarHBondContact O-N 3.26Å; E625-R634 WeakPolarHBondContact OE1-CD 3.27Å; E625-R634 IonicContact OE1-CZ 3.85Å; E625-R634 IonicContact OE1-NE 3.21Å; E625-R634 IonicContact OE1-NH1 2.68Å; E625-R634 PolarHBondContact OE1-NH1 3.41Å; R634-H642 HydrophobicContact CG-CB 4.22Å; R634-H642 PolarHBondContact NH2-CD2 2.68Å; R634-H642 PolarHBondContact NH2-NE2 3.39Å; R634-T643 CarbonylContact C-O 3.52Å; R634-T643 VanDerWaalsContact CA-O 3.24Å; R634-T643 WeakPolarHBondContact CA-O 3.48Å; R634-T643 VanDerWaalsContact CG-O 3.32Å; R634-T643 WeakPolarHBondContact CG-O 3.43Å; R634-T644 HydrophobicContact CB-CG2 4.27Å; R634-T644 HydrophobicContact CG-CG2 3.86Å |
| 635 | L | 90.7 | Very high | 87 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.1 | 161 | -51.3 | 169.7 | 0 | 0 | 0 | 108.6 | S623 M624 V632 H642 T643 F645 L1214 W1218 | S623-L635 CarbonylContact O-C 3.48Å; S623-L635 WeakPolarHBondContact O-CA 3.47Å; M624-L635 HydrophobicContact CB-CD2 4.17Å; M624-L635 HydrophobicContact CG-CD2 3.5Å; V632-L635 HydrophobicContact CG1-CD2 3.57Å; V632-L635 HydrophobicContact CG1-CG 4.02Å; L635-H642 CarbonylContact O-C 3.55Å; L635-H642 WeakPolarHBondContact O-CA 3.39Å; L635-H642 WeakPolarHBondContact O-CB 3.5Å; L635-T643 HydrophobicContact CB-CG2 3.76Å; L635-T643 HydrophobicContact CD1-CG2 3.86Å; L635-T643 HydrophobicContact CG-CG2 4.02Å; L635-T643 PolarHBondContact N-O 2.79Å; L635-T643 PolarHBondContact O-N 3.09Å; L635-F645 HydrophobicContact CD1-CE2 4.2Å; L635-F645 HydrophobicContact CD1-CZ 4.01Å; L635-F645 HydrophobicContact CG-CE2 3.98Å; L635-F645 HydrophobicContact CG-CZ 4.29Å; L635-L1214 HydrophobicContact CD1-CD1 3.85Å; L635-L1214 HydrophobicContact CD1-CD2 4.22Å; L635-W1218 HydrophobicContact CB-CH2 3.9Å; L635-W1218 HydrophobicContact CB-CZ2 3.94Å; L635-W1218 HydrophobicContact CB-CZ3 4.29Å; L635-W1218 HydrophobicContact CD1-CZ2 3.82Å; L635-W1218 HydrophobicContact CD2-CH2 4.08Å; L635-W1218 HydrophobicContact CD2-CZ2 3.71Å; L635-W1218 HydrophobicContact CG-CH2 4.41Å; L635-W1218 HydrophobicContact CG-CZ2 4.02Å |
| 636 | T | 91.1 | Very high | 87.1 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.5 | 173.2 | -53 | 0 | 0 | 0 | 0 | 109.8 | S623 S641 W1218 | S623-T636 PolarHBondContact N-O 3.08Å; S623-T636 PolarHBondContact O-N 3.2Å; S623-T636 WeakPolarHBondContact OG-CB 3.42Å; T636-S641 CarbonylContact C-O 3.58Å; T636-S641 WeakPolarHBondContact CA-O 3.16Å; T636-W1218 WeakPolarHBondContact O-CZ3 3.3Å |
| 637 | S | 86.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | trans | -78.6 | 172.8 | -178 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | N639 G640 S641 | S637-N639 PolarHBondContact O-N 2.75Å; S637-N639 PolarHBondContact OG-OD1 3.09Å; S637-G640 WeakPolarHBondContact O-CA 3.17Å; S637-G640 PolarHBondContact O-N 3.07Å; S637-S641 PolarHBondContact N-O 3.2Å; S637-S641 WeakPolarHBondContact OG-CB 3.39Å; S637-S641 PolarHBondContact OG-O 2.86Å | ||
| 638 | E | 86 | Confident | 87.3 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.7 | -170.9 | -53.1 | 94.9 | 104.6 | 0 | 0 | 114.6 | L620 T621 R622 R873 P894 | L620-E638 HydrophobicContact CB-CB 4.17Å; L620-E638 HydrophobicContact CB-CG 3.92Å; T621-E638 VanDerWaalsContact O-CA 3.29Å; T621-E638 WeakPolarHBondContact O-CA 3.42Å; R622-E638 HydrophobicContact CG-CG 3.81Å; R622-E638 WeakPolarHBondContact CG-OE2 3.32Å; R622-E638 IonicContact CZ-OE1 2.92Å; R622-E638 VanDerWaalsContact CZ-OE1 3.29Å; R622-E638 IonicContact CZ-OE2 2.76Å; R622-E638 IonicContact NE-OE1 3.83Å; R622-E638 PolarHBondContact NE-OE1 3.36Å; R622-E638 IonicContact NE-OE2 2.8Å; R622-E638 PolarHBondContact NE-OE2 3.32Å; R622-E638 IonicContact NH2-OE1 3.91Å; R622-E638 PolarHBondContact NH2-OE1 3.46Å; R622-E638 IonicContact NH2-OE2 3.17Å; E638-R873 IonicContact OE1-NH2 3.37Å; E638-R873 PolarHBondContact OE1-NH2 2.92Å; E638-P894 VanDerWaalsContact C-CB 3.43Å; E638-P894 HydrophobicContact CB-CB 3.8Å; E638-P894 VanDerWaalsContact CB-O 3.32Å; E638-P894 WeakPolarHBondContact CB-O 3.43Å; E638-P894 WeakPolarHBondContact O-CB 3.39Å |
| 639 | N | 87.3 | Confident | 87.7 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.1 | 173.9 | 67.1 | -16.1 | 0 | 0 | 0 | 113.1 | S637 S641 P894 A895 M912 W913 N916 | S637-N639 PolarHBondContact O-N 2.75Å; S637-N639 PolarHBondContact OG-OD1 3.09Å; N639-S641 VanDerWaalsContact CG-OG 3.29Å; N639-S641 PolarHBondContact ND2-OG 3.04Å; N639-S641 WeakPolarHBondContact OD1-CB 3.14Å; N639-S641 PolarHBondContact OD1-N 2.85Å; N639-S641 VanDerWaalsContact OD1-N 3.14Å; N639-S641 PolarHBondContact OD1-OG 2.82Å; N639-S641 VanDerWaalsContact OD1-OG 3.07Å; N639-P894 HydrophobicContact CB-CB 4.18Å; N639-A895 HydrophobicContact CB-CB 3.95Å; N639-M912 HydrophobicContact CB-CE 4.16Å; N639-M912 WeakPolarHBondContact O-CE 3.45Å; N639-W913 PolarHBondContact ND2-O 2.87Å; N639-N916 PolarHBondContact ND2-OD1 3.12Å |
| 640 | G | 87.2 | Confident | 87.9 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 45% | 0.454 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 85.7 | -2.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S637 | S637-G640 WeakPolarHBondContact O-CA 3.17Å; S637-G640 PolarHBondContact O-N 3.07Å |
| 641 | S | 86.7 | Confident | 88.1 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -61.1 | 150.8 | 168 | -48 | 0 | 0 | 0 | 0 | 109.9 | T636 S637 N639 P914 | T636-S641 CarbonylContact C-O 3.58Å; T636-S641 WeakPolarHBondContact CA-O 3.16Å; S637-S641 PolarHBondContact N-O 3.2Å; S637-S641 WeakPolarHBondContact OG-CB 3.39Å; S637-S641 PolarHBondContact OG-O 2.86Å; N639-S641 VanDerWaalsContact CG-OG 3.29Å; N639-S641 PolarHBondContact ND2-OG 3.04Å; N639-S641 WeakPolarHBondContact OD1-CB 3.14Å; N639-S641 PolarHBondContact OD1-N 2.85Å; N639-S641 VanDerWaalsContact OD1-N 3.14Å; N639-S641 PolarHBondContact OD1-OG 2.82Å; N639-S641 VanDerWaalsContact OD1-OG 3.07Å; S641-P914 VanDerWaalsContact OG-C 3.29Å; S641-P914 PolarHBondContact OG-O 2.7Å | ||
| 642 | H | 89.8 | Confident | 88.1 | Confident | 82 Ų | 82 | 43.6 Ų | 43.6 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 151.3 | 179.1 | 61.6 | 64.4 | 0 | 0 | 0 | 113.4 | R634 L635 F659 | R634-H642 HydrophobicContact CG-CB 4.22Å; R634-H642 PolarHBondContact NH2-CD2 2.68Å; R634-H642 PolarHBondContact NH2-NE2 3.39Å; L635-H642 CarbonylContact O-C 3.55Å; L635-H642 WeakPolarHBondContact O-CA 3.39Å; L635-H642 WeakPolarHBondContact O-CB 3.5Å; H642-F659 VanDerWaalsContact C-CD1 3.5Å |
| 643 | T | 87.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.6 | 167.2 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | R634 L635 F645 T657 F659 L1214 | R634-T643 CarbonylContact C-O 3.52Å; R634-T643 VanDerWaalsContact CA-O 3.24Å; R634-T643 WeakPolarHBondContact CA-O 3.48Å; R634-T643 VanDerWaalsContact CG-O 3.32Å; R634-T643 WeakPolarHBondContact CG-O 3.43Å; L635-T643 HydrophobicContact CB-CG2 3.76Å; L635-T643 HydrophobicContact CD1-CG2 3.86Å; L635-T643 HydrophobicContact CG-CG2 4.02Å; L635-T643 PolarHBondContact N-O 2.79Å; L635-T643 PolarHBondContact O-N 3.09Å; T643-F645 HydrophobicContact CG2-CE2 4.2Å; T643-F645 HydrophobicContact CG2-CZ 3.87Å; T643-T657 CarbonylContact C-O 3.26Å; T643-T657 WeakPolarHBondContact CA-O 3.29Å; T643-T657 VanDerWaalsContact CB-O 3.3Å; T643-T657 WeakPolarHBondContact CB-O 3.38Å; T643-T657 PolarHBondContact OG1-O 3.45Å; T643-F659 HydrophobicContact CG2-CE1 4.17Å; T643-F659 HydrophobicContact CG2-CE2 4.05Å; T643-F659 HydrophobicContact CG2-CZ 3.81Å; T643-L1214 HydrophobicContact CG2-CD1 4.27Å; T643-L1214 HydrophobicContact CG2-CD2 4.39Å |
| 644 | T | 93.4 | Very high | 88.2 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.8 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | I633 R634 E656 T657 | I633-T644 VanDerWaalsContact O-CA 3.26Å; I633-T644 WeakPolarHBondContact O-CA 3.38Å; R634-T644 HydrophobicContact CB-CG2 4.27Å; R634-T644 HydrophobicContact CG-CG2 3.86Å; T644-E656 CarbonylContact O-C 3.27Å; T644-E656 VanDerWaalsContact O-CA 3.29Å; T644-E656 WeakPolarHBondContact O-CA 3.31Å; T644-T657 PolarHBondContact N-O 2.82Å; T644-T657 PolarHBondContact O-N 2.86Å |
| 645 | F | 90.5 | Very high | 88.3 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 10% | 0.101 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.9 | -177.1 | -49.1 | -85.2 | 0 | 0 | 0 | 112.2 | V632 I633 L635 T643 Y647 L653 Q655 E656 L1214 | V632-F645 HydrophobicContact CB-CD2 4.3Å; V632-F645 HydrophobicContact CB-CE2 4.35Å; V632-F645 HydrophobicContact CG1-CD2 3.83Å; V632-F645 HydrophobicContact CG1-CE2 3.6Å; V632-F645 WeakPolarHBondContact O-CB 3.25Å; V632-F645 WeakPolarHBondContact O-CD2 3.42Å; I633-F645 PolarHBondContact O-N 2.81Å; L635-F645 HydrophobicContact CD1-CE2 4.2Å; L635-F645 HydrophobicContact CD1-CZ 4.01Å; L635-F645 HydrophobicContact CG-CE2 3.98Å; L635-F645 HydrophobicContact CG-CZ 4.29Å; T643-F645 HydrophobicContact CG2-CE2 4.2Å; T643-F645 HydrophobicContact CG2-CZ 3.87Å; F645-Y647 HydrophobicContact CB-CE2 3.82Å; F645-L653 HydrophobicContact CB-CD1 3.77Å; F645-L653 HydrophobicContact CD1-CD1 3.74Å; F645-L653 HydrophobicContact CD1-CD2 4.5Å; F645-L653 HydrophobicContact CG-CD1 4.19Å; F645-Q655 CarbonylContact C-O 3.59Å; F645-Q655 WeakPolarHBondContact CA-O 3.36Å; F645-E656 HydrophobicContact CD1-CB 3.79Å; F645-E656 HydrophobicContact CE1-CB 4.1Å; F645-L1214 HydrophobicContact CE1-CD1 3.77Å; F645-L1214 HydrophobicContact CZ-CD1 3.49Å; F645-L1214 VanDerWaalsContact CZ-CD1 3.49Å |
| 646 | R | 92.4 | Very high | 88.3 | Confident | 154 Ų | 154 | 41 Ų | 41 | 58% | 0.581 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.9 | 169.9 | -53.2 | 179.8 | 61.4 | 82.3 | 3.8 | 109.2 | I654 Q655 | R646-I654 HydrophobicContact CB-CG1 4.21Å; R646-I654 WeakPolarHBondContact O-CG1 3.49Å; R646-I654 PolarHBondContact O-N 3.16Å; R646-Q655 HydrophobicContact CB-CB 4.08Å; R646-Q655 HydrophobicContact CG-CB 4.28Å; R646-Q655 PolarHBondContact N-O 2.86Å; R646-Q655 PolarHBondContact O-N 2.8Å |
| 647 | Y | 89 | Confident | 88.4 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 157.1 | -178.2 | -54.5 | -91.6 | 0 | 0 | 0 | 110.3 | R631 V632 F645 D651 R652 L653 | R631-Y647 HydrophobicContact CB-CD2 3.96Å; R631-Y647 HydrophobicContact CB-CE1 4.34Å; R631-Y647 HydrophobicContact CB-CE2 3.6Å; R631-Y647 HydrophobicContact CG-CD2 4.5Å; V632-Y647 WeakPolarHBondContact O-CE2 3.24Å; V632-Y647 PolarHBondContact O-OH 3.11Å; F645-Y647 HydrophobicContact CB-CE2 3.82Å; Y647-D651 WeakPolarHBondContact CD1-O 3.49Å; Y647-R652 CarbonylContact C-O 3.59Å; Y647-R652 WeakPolarHBondContact CA-O 3.4Å; Y647-L653 HydrophobicContact CD1-CB 4.25Å; Y647-L653 HydrophobicContact CD1-CD1 4.45Å; Y647-L653 HydrophobicContact CE1-CB 4.15Å; Y647-L653 HydrophobicContact CE1-CD1 4.05Å |
| 648 | D | 89 | Confident | 88.4 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | trans | -81.2 | -169.3 | 168 | 68 | 17.3 | 0 | 0 | 0 | 112 | R631 L650 D651 R652 I654 | R631-D648 PolarHBondContact NH1-O 2.91Å; D648-L650 VanDerWaalsContact C-N 3.27Å; D648-L650 PolarHBondContact O-N 3.4Å; D648-L650 WeakPolarHBondContact OD1-CA 3.39Å; D648-L650 PolarHBondContact OD1-N 2.96Å; D648-D651 PolarHBondContact O-N 3.25Å; D648-D651 PolarHBondContact OD1-N 3.13Å; D648-R652 PolarHBondContact N-O 3.38Å; D648-R652 PolarHBondContact OD1-N 3.17Å; D648-R652 IonicContact OD1-NE 2.82Å; D648-R652 IonicContact OD2-CZ 3.12Å; D648-R652 VanDerWaalsContact OD2-CZ 3.23Å; D648-R652 IonicContact OD2-NE 2.69Å; D648-R652 PolarHBondContact OD2-NE 3.29Å; D648-R652 IonicContact OD2-NH2 3.97Å; D648-R652 PolarHBondContact OD2-NH2 2.69Å; D648-I654 HydrophobicContact CB-CD1 4.42Å; D648-I654 HydrophobicContact CB-CG2 3.75Å | ||
| 649 | V | 89.7 | Confident | 88.5 | Confident | 61 Ų | 61 | 40.9 Ų | 40.9 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15 | 179 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | R384 A405 D406 | R384-V649 VanDerWaalsContact CD-O 3.32Å; R384-V649 WeakPolarHBondContact CD-O 3.27Å; R384-V649 PolarHBondContact NH1-O 3.47Å; A405-V649 HydrophobicContact CB-CB 4.17Å; A405-V649 HydrophobicContact CB-CG2 4.24Å; D406-V649 HydrophobicContact CB-CG2 3.58Å |
| 650 | L | 83.6 | Confident | 88.4 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 14.3 | 174.6 | -58.6 | -168.6 | 0 | 0 | 0 | 112.7 | H404 A405 D406 D648 R652 | H404-L650 HydrophobicContact CB-CD2 3.79Å; A405-L650 HydrophobicContact CB-CD2 4.14Å; D406-L650 HydrophobicContact CB-CD1 4.44Å; D406-L650 HydrophobicContact CB-CD2 4.3Å; D406-L650 HydrophobicContact CB-CG 4.17Å; D406-L650 WeakPolarHBondContact OD2-CD1 3.46Å; D648-L650 VanDerWaalsContact C-N 3.27Å; D648-L650 PolarHBondContact O-N 3.4Å; D648-L650 WeakPolarHBondContact OD1-CA 3.39Å; D648-L650 PolarHBondContact OD1-N 2.96Å; L650-R652 HydrophobicContact CB-CG 4.19Å; L650-R652 PolarHBondContact O-N 3.06Å |
| 651 | D | 83.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 66.6 | 13.4 | -176.9 | -59.5 | -45.1 | 0 | 0 | 0 | 115.2 | R384 R631 Y647 D648 | R384-D651 IonicContact CZ-OD1 3Å; R384-D651 IonicContact CZ-OD2 3.44Å; R384-D651 IonicContact NH1-OD1 3.26Å; R384-D651 PolarHBondContact NH1-OD1 2.83Å; R384-D651 IonicContact NH1-OD2 2.66Å; R384-D651 PolarHBondContact NH1-OD2 3.38Å; R384-D651 IonicContact NH2-OD1 3.84Å; R384-D651 IonicContact NH2-OD2 3.4Å; R384-D651 PolarHBondContact NH2-OD2 2.99Å; R631-D651 VanDerWaalsContact CD-OD1 3.25Å; R631-D651 WeakPolarHBondContact CD-OD1 2.77Å; R631-D651 IonicContact CZ-OD1 2.82Å; R631-D651 IonicContact NE-OD1 2.88Å; R631-D651 PolarHBondContact NE-OD1 2.87Å; R631-D651 IonicContact NH1-OD1 2.8Å; R631-D651 PolarHBondContact NH1-OD1 2.99Å; Y647-D651 WeakPolarHBondContact CD1-O 3.49Å; D648-D651 PolarHBondContact O-N 3.25Å; D648-D651 PolarHBondContact OD1-N 3.13Å |
| 652 | R | 81.3 | Confident | 88.3 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | trans | -82.6 | 140.3 | 178.3 | -53.4 | 177.4 | -63.2 | -167.8 | 5.2 | 111.4 | Y647 D648 L650 I654 D669 | Y647-R652 CarbonylContact C-O 3.59Å; Y647-R652 WeakPolarHBondContact CA-O 3.4Å; D648-R652 PolarHBondContact N-O 3.38Å; D648-R652 PolarHBondContact OD1-N 3.17Å; D648-R652 IonicContact OD1-NE 2.82Å; D648-R652 IonicContact OD2-CZ 3.12Å; D648-R652 VanDerWaalsContact OD2-CZ 3.23Å; D648-R652 IonicContact OD2-NE 2.69Å; D648-R652 PolarHBondContact OD2-NE 3.29Å; D648-R652 IonicContact OD2-NH2 3.97Å; D648-R652 PolarHBondContact OD2-NH2 2.69Å; L650-R652 HydrophobicContact CB-CG 4.19Å; L650-R652 PolarHBondContact O-N 3.06Å; R652-I654 PolarHBondContact O-N 2.96Å; R652-D669 PolarHBondContact NH1-O 2.75Å | ||
| 653 | L | 85.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.12 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 109.6 | -177.5 | 176.1 | 67.5 | 0 | 0 | 0 | 111.3 | F645 Y647 Q655 Y666 H668 | F645-L653 HydrophobicContact CB-CD1 3.77Å; F645-L653 HydrophobicContact CD1-CD1 3.74Å; F645-L653 HydrophobicContact CD1-CD2 4.5Å; F645-L653 HydrophobicContact CG-CD1 4.19Å; Y647-L653 HydrophobicContact CD1-CB 4.25Å; Y647-L653 HydrophobicContact CD1-CD1 4.45Å; Y647-L653 HydrophobicContact CE1-CB 4.15Å; Y647-L653 HydrophobicContact CE1-CD1 4.05Å; L653-Q655 WeakPolarHBondContact CD1-O 3.42Å; L653-Y666 HydrophobicContact CD2-CD2 4.2Å; L653-Y666 HydrophobicContact CD2-CE2 4.11Å; L653-Y666 HydrophobicContact CG-CD2 4.11Å; L653-Y666 HydrophobicContact CG-CE2 4.44Å; L653-Y666 VanDerWaalsContact O-CB 3.27Å; L653-Y666 WeakPolarHBondContact O-CB 3.4Å; L653-H668 PolarHBondContact O-CE1 3.43Å; L653-H668 VanDerWaalsContact O-CE1 3.29Å |
| 654 | I | 90.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 41 Ų | 41 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -18.9 | -179 | 58.3 | 171.4 | 0 | 0 | 0 | 114.7 | R646 D648 R652 R665 Y666 | R646-I654 HydrophobicContact CB-CG1 4.21Å; R646-I654 WeakPolarHBondContact O-CG1 3.49Å; R646-I654 PolarHBondContact O-N 3.16Å; D648-I654 HydrophobicContact CB-CD1 4.42Å; D648-I654 HydrophobicContact CB-CG2 3.75Å; R652-I654 PolarHBondContact O-N 2.96Å; I654-R665 VanDerWaalsContact O-CA 3.28Å; I654-R665 WeakPolarHBondContact O-CA 3.25Å; I654-Y666 PolarHBondContact O-N 2.89Å |
| 655 | Q | 93 | Very high | 88.4 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 139 | 175.3 | -172 | -176.4 | -65.1 | 0 | 0 | 110.4 | F645 R646 L653 T663 Q664 R665 | F645-Q655 CarbonylContact C-O 3.59Å; F645-Q655 WeakPolarHBondContact CA-O 3.36Å; R646-Q655 HydrophobicContact CB-CB 4.08Å; R646-Q655 HydrophobicContact CG-CB 4.28Å; R646-Q655 PolarHBondContact N-O 2.86Å; R646-Q655 PolarHBondContact O-N 2.8Å; L653-Q655 WeakPolarHBondContact CD1-O 3.42Å; Q655-T663 VanDerWaalsContact CD-CG2 3.41Å; Q655-T663 HydrophobicContact CG-CG2 3.57Å; Q655-Q664 VanDerWaalsContact CA-O 3.28Å; Q655-Q664 WeakPolarHBondContact CA-O 3.44Å; Q655-Q664 VanDerWaalsContact CG-O 3.31Å; Q655-Q664 WeakPolarHBondContact CG-O 3.5Å; Q655-R665 HydrophobicContact CB-CG 4.21Å; Q655-R665 HydrophobicContact CG-CG 3.9Å |
| 656 | E | 92 | Very high | 88.4 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.6 | 159.7 | 71.4 | -170.2 | 152.5 | 0 | 0 | 110.5 | T644 F645 T663 Q664 Y666 K1370 | T644-E656 CarbonylContact O-C 3.27Å; T644-E656 VanDerWaalsContact O-CA 3.29Å; T644-E656 WeakPolarHBondContact O-CA 3.31Å; F645-E656 HydrophobicContact CD1-CB 3.79Å; F645-E656 HydrophobicContact CE1-CB 4.1Å; E656-T663 WeakPolarHBondContact O-CA 3.26Å; E656-Q664 HydrophobicContact CG-CB 4.03Å; E656-Q664 PolarHBondContact N-O 3.4Å; E656-Q664 PolarHBondContact O-N 2.89Å; E656-Q664 PolarHBondContact OE1-OE1 3.29Å; E656-Y666 HydrophobicContact CG-CE2 4.09Å; E656-Y666 PolarHBondContact OE1-OH 2.83Å; E656-K1370 WeakPolarHBondContact OE1-CE 3.5Å; E656-K1370 IonicContact OE1-NZ 3.72Å; E656-K1370 PolarHBondContact OE1-NZ 2.76Å; E656-K1370 IonicContact OE2-NZ 3.16Å; E656-K1370 PolarHBondContact OE2-NZ 3.04Å |
| 657 | T | 92.1 | Very high | 88.4 | Confident | 31 Ų | 31 | 39 Ų | 39 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.2 | 168.9 | -62.4 | 0 | 0 | 0 | 0 | 107.4 | T643 T644 R662 T663 | T643-T657 CarbonylContact C-O 3.26Å; T643-T657 WeakPolarHBondContact CA-O 3.29Å; T643-T657 VanDerWaalsContact CB-O 3.3Å; T643-T657 WeakPolarHBondContact CB-O 3.38Å; T643-T657 PolarHBondContact OG1-O 3.45Å; T644-T657 PolarHBondContact N-O 2.82Å; T644-T657 PolarHBondContact O-N 2.86Å; T657-R662 CarbonylContact C-O 3.55Å; T657-R662 VanDerWaalsContact CA-O 3.29Å; T657-R662 WeakPolarHBondContact CA-O 3.47Å; T657-T663 PolarHBondContact OG1-OG1 2.72Å; T657-T663 VanDerWaalsContact OG1-OG1 3.06Å |
| 658 | G | 87.6 | Confident | 88.2 | Confident | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | trans | -70.4 | 173.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D660 G661 R662 | G658-D660 PolarHBondContact O-N 2.96Å; G658-D660 VanDerWaalsContact O-N 3.12Å; G658-G661 PolarHBondContact O-N 3.11Å; G658-R662 PolarHBondContact N-O 2.9Å | ||
| 659 | F | 86.6 | Confident | 88 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | 174.5 | -66.5 | -71.7 | 0 | 0 | 0 | 113.8 | H642 T643 L1214 W1218 | H642-F659 VanDerWaalsContact C-CD1 3.5Å; T643-F659 HydrophobicContact CG2-CE1 4.17Å; T643-F659 HydrophobicContact CG2-CE2 4.05Å; T643-F659 HydrophobicContact CG2-CZ 3.81Å; F659-L1214 HydrophobicContact CD2-CD2 4.46Å; F659-L1214 HydrophobicContact CE2-CD2 3.62Å; F659-L1214 HydrophobicContact CZ-CD2 4.39Å; F659-W1218 WeakPolarHBondContact CD2-O 3.21Å; F659-W1218 HydrophobicContact CE2-CB 3.73Å; F659-W1218 HydrophobicContact CE2-CG 4.04Å; F659-W1218 VanDerWaalsContact CE2-O 3.25Å; F659-W1218 WeakPolarHBondContact CE2-O 3.43Å; F659-W1218 HydrophobicContact CZ-CB 3.8Å; F659-W1218 HydrophobicContact CZ-CD2 4.08Å; F659-W1218 HydrophobicContact CZ-CE3 4.23Å; F659-W1218 AromaticContact CZ-CG 3.87Å; F659-W1218 HydrophobicContact CZ-CG 3.87Å |
| 660 | D | 85.6 | Confident | 87.7 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1 | 176.1 | 63.8 | -15.1 | 0 | 0 | 0 | 114.4 | G658 R662 R917 Q1209 | G658-D660 PolarHBondContact O-N 2.96Å; G658-D660 VanDerWaalsContact O-N 3.12Å; D660-R662 VanDerWaalsContact C-N 3.26Å; D660-R662 VanDerWaalsContact CG-CB 3.43Å; D660-R662 PolarHBondContact O-N 3.24Å; D660-R662 WeakPolarHBondContact OD1-CB 2.96Å; D660-R662 PolarHBondContact OD1-N 2.84Å; D660-R662 VanDerWaalsContact OD2-CB 3.26Å; D660-R662 WeakPolarHBondContact OD2-CB 3.24Å; D660-R662 IonicContact OD2-NE 2.7Å; D660-R662 PolarHBondContact OD2-NE 2.73Å; D660-R917 PolarHBondContact O-NH2 2.9Å; D660-Q1209 PolarHBondContact OD2-NE2 3.17Å |
| 661 | G | 86.1 | Confident | 87.2 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 80.2 | -2.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G658 | G658-G661 PolarHBondContact O-N 3.11Š|
| 662 | R | 86.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 36.7 Ų | 36.7 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | trans | -65.4 | 134.2 | 179.2 | -173.6 | 170.3 | 61.6 | 90.5 | 4.9 | 109.9 | T657 G658 D660 Q664 D679 E680 R930 | T657-R662 CarbonylContact C-O 3.55Å; T657-R662 VanDerWaalsContact CA-O 3.29Å; T657-R662 WeakPolarHBondContact CA-O 3.47Å; G658-R662 PolarHBondContact N-O 2.9Å; D660-R662 VanDerWaalsContact C-N 3.26Å; D660-R662 VanDerWaalsContact CG-CB 3.43Å; D660-R662 PolarHBondContact O-N 3.24Å; D660-R662 WeakPolarHBondContact OD1-CB 2.96Å; D660-R662 PolarHBondContact OD1-N 2.84Å; D660-R662 VanDerWaalsContact OD2-CB 3.26Å; D660-R662 WeakPolarHBondContact OD2-CB 3.24Å; D660-R662 IonicContact OD2-NE 2.7Å; D660-R662 PolarHBondContact OD2-NE 2.73Å; R662-Q664 VanDerWaalsContact CZ-OE1 3.27Å; R662-Q664 VanDerWaalsContact NH1-CG 3.34Å; R662-D679 VanDerWaalsContact CD-OD1 3.26Å; R662-D679 WeakPolarHBondContact CD-OD1 3.39Å; R662-D679 WeakPolarHBondContact CG-OD1 3.24Å; R662-D679 IonicContact CZ-OD1 2.75Å; R662-D679 IonicContact NE-OD1 2.69Å; R662-D679 IonicContact NH1-OD1 3.29Å; R662-D679 PolarHBondContact NH1-OD1 3.31Å; R662-D679 IonicContact NH1-OD2 3.06Å; R662-D679 PolarHBondContact NH1-OD2 3.13Å; R662-E680 HydrophobicContact CG-CG 3.67Å; R662-R930 WeakPolarHBondContact CD-O 3.47Å | ||
| 663 | T | 90.4 | Very high | 86.4 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 23% | 0.233 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.6 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | Q655 E656 T657 E680 | Q655-T663 VanDerWaalsContact CD-CG2 3.41Å; Q655-T663 HydrophobicContact CG-CG2 3.57Å; E656-T663 WeakPolarHBondContact O-CA 3.26Å; T657-T663 PolarHBondContact OG1-OG1 2.72Å; T657-T663 VanDerWaalsContact OG1-OG1 3.06Å; T663-E680 PolarHBondContact N-OE1 2.82Å; T663-E680 VanDerWaalsContact N-OE1 3.17Å |
| 664 | Q | 89.5 | Confident | 86.1 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.2 | 173 | -57.8 | -177.2 | -108.4 | 0 | 0 | 109.9 | Q655 E656 R662 Y666 E678 D679 | Q655-Q664 VanDerWaalsContact CA-O 3.28Å; Q655-Q664 WeakPolarHBondContact CA-O 3.44Å; Q655-Q664 VanDerWaalsContact CG-O 3.31Å; Q655-Q664 WeakPolarHBondContact CG-O 3.5Å; E656-Q664 HydrophobicContact CG-CB 4.03Å; E656-Q664 PolarHBondContact N-O 3.4Å; E656-Q664 PolarHBondContact O-N 2.89Å; E656-Q664 PolarHBondContact OE1-OE1 3.29Å; R662-Q664 VanDerWaalsContact CZ-OE1 3.27Å; R662-Q664 VanDerWaalsContact NH1-CG 3.34Å; Q664-Y666 HydrophobicContact CB-CE2 4.22Å; Q664-Y666 WeakPolarHBondContact CB-OH 3.44Å; Q664-Y666 PolarHBondContact NE2-OH 2.91Å; Q664-E678 CarbonylContact C-O 3.41Å; Q664-E678 WeakPolarHBondContact CA-O 3.48Å; Q664-D679 HydrophobicContact CG-CB 4.22Å |
| 665 | R | 93.7 | Very high | 86 | Confident | 113 Ų | 113 | 33.8 Ų | 33.8 | 43% | 0.426 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149 | 175.6 | -64.3 | 178.4 | -176.9 | 139.4 | -0.7 | 111.4 | I654 Q655 S677 E678 | I654-R665 VanDerWaalsContact O-CA 3.28Å; I654-R665 WeakPolarHBondContact O-CA 3.25Å; Q655-R665 HydrophobicContact CB-CG 4.21Å; Q655-R665 HydrophobicContact CG-CG 3.9Å; R665-S677 CarbonylContact O-C 3.2Å; R665-S677 VanDerWaalsContact O-CA 3.26Å; R665-S677 WeakPolarHBondContact O-CA 3.19Å; R665-E678 HydrophobicContact CB-CB 4.17Å; R665-E678 HydrophobicContact CB-CG 4.48Å; R665-E678 PolarHBondContact N-O 2.98Å; R665-E678 IonicContact NH1-OE2 3.04Å; R665-E678 PolarHBondContact NH1-OE2 3.41Å; R665-E678 PolarHBondContact O-N 3.09Å |
| 666 | Y | 89.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136 | -173.9 | -57.7 | -68.6 | 0 | 0 | 0 | 108.8 | L653 I654 E656 Q664 L674 K1370 | L653-Y666 HydrophobicContact CD2-CD2 4.2Å; L653-Y666 HydrophobicContact CD2-CE2 4.11Å; L653-Y666 HydrophobicContact CG-CD2 4.11Å; L653-Y666 HydrophobicContact CG-CE2 4.44Å; L653-Y666 VanDerWaalsContact O-CB 3.27Å; L653-Y666 WeakPolarHBondContact O-CB 3.4Å; I654-Y666 PolarHBondContact O-N 2.89Å; E656-Y666 HydrophobicContact CG-CE2 4.09Å; E656-Y666 PolarHBondContact OE1-OH 2.83Å; Q664-Y666 HydrophobicContact CB-CE2 4.22Å; Q664-Y666 WeakPolarHBondContact CB-OH 3.44Å; Q664-Y666 PolarHBondContact NE2-OH 2.91Å; Y666-L674 HydrophobicContact CD1-CD1 3.89Å; Y666-L674 HydrophobicContact CD1-CD2 4.12Å; Y666-L674 HydrophobicContact CG-CD1 4.24Å; Y666-K1370 HydrophobicContact CE1-CG 4.02Å; Y666-K1370 WeakPolarHBondContact OH-CD 3.28Å; Y666-K1370 WeakPolarHBondContact OH-CG 3.34Å |
| 667 | H | 91.4 | Very high | 85.9 | Confident | 65 Ų | 65 | 35 Ų | 35 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.1 | 179.9 | -54.6 | -105.7 | 0 | 0 | 0 | 107.9 | I675 R676 E678 | H667-I675 WeakPolarHBondContact O-CG1 3.47Å; H667-I675 PolarHBondContact O-N 2.63Å; H667-R676 HydrophobicContact CB-CB 4.06Å; H667-R676 PolarHBondContact CE1-NH1 2.79Å; H667-R676 PolarHBondContact N-O 3.01Å; H667-R676 PolarHBondContact NE2-NH1 3.04Å; H667-R676 PolarHBondContact O-N 2.83Å; H667-E678 IonicContact CE1-OE1 3.91Å; H667-E678 IonicContact NE2-OE1 3.15Å; H667-E678 PolarHBondContact NE2-OE1 2.8Å |
| 668 | H | 86.4 | Confident | 85.9 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 152.6 | 177.9 | -51.8 | 99.9 | 0 | 0 | 0 | 110 | L653 G672 K673 | L653-H668 PolarHBondContact O-CE1 3.43Å; L653-H668 VanDerWaalsContact O-CE1 3.29Å; H668-G672 PolarHBondContact CD2-O 3.44Å; H668-K673 CarbonylContact C-O 3.55Å; H668-K673 WeakPolarHBondContact CA-O 3.27Å |
| 669 | D | 84.2 | Confident | 86 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | trans | -74.9 | -177.8 | 168 | 61.4 | 26.1 | 0 | 0 | 0 | 112.2 | R652 T671 G672 K673 I675 | R652-D669 PolarHBondContact NH1-O 2.75Å; D669-T671 PolarHBondContact O-N 2.8Å; D669-T671 VanDerWaalsContact OD1-CA 3.32Å; D669-T671 WeakPolarHBondContact OD1-CA 3.46Å; D669-T671 VanDerWaalsContact OD1-CB 3.32Å; D669-T671 WeakPolarHBondContact OD1-CB 3.5Å; D669-T671 PolarHBondContact OD1-N 3.04Å; D669-T671 PolarHBondContact OD1-OG1 3.49Å; D669-T671 PolarHBondContact OD2-OG1 2.96Å; D669-G672 PolarHBondContact O-N 2.81Å; D669-G672 PolarHBondContact OD1-N 2.96Å; D669-K673 PolarHBondContact N-O 3.11Å; D669-K673 PolarHBondContact OD1-N 3.21Å; D669-K673 VanDerWaalsContact OD1-N 3.11Å; D669-I675 HydrophobicContact CB-CD1 4.12Å; D669-I675 HydrophobicContact CB-CG1 4.46Å; D669-I675 HydrophobicContact CB-CG2 3.76Å | ||
| 670 | L | 83.7 | Confident | 86 | Confident | 102 Ų | 102 | 37.9 Ų | 37.9 | 53% | 0.534 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -59.1 | -25.5 | 175.7 | -72.1 | 175.1 | 0 | 0 | 0 | 112.5 | A426 | A426-L670 HydrophobicContact CB-CB 4.18Å; A426-L670 WeakPolarHBondContact CB-O 3.23Å |
| 671 | T | 73 | Confident | 85.8 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.2 | -59.9 | 176.1 | 81.9 | 0 | 0 | 0 | 0 | 107.5 | A427 D669 K673 W1381 | A427-T671 HydrophobicContact CB-CG2 3.57Å; D669-T671 PolarHBondContact O-N 2.8Å; D669-T671 VanDerWaalsContact OD1-CA 3.32Å; D669-T671 WeakPolarHBondContact OD1-CA 3.46Å; D669-T671 VanDerWaalsContact OD1-CB 3.32Å; D669-T671 WeakPolarHBondContact OD1-CB 3.5Å; D669-T671 PolarHBondContact OD1-N 3.04Å; D669-T671 PolarHBondContact OD1-OG1 3.49Å; D669-T671 PolarHBondContact OD2-OG1 2.96Å; T671-K673 WeakPolarHBondContact OG1-CD 3.11Å; T671-K673 WeakPolarHBondContact OG1-CE 3.35Å; T671-K673 WeakPolarHBondContact OG1-CG 3.26Å; T671-W1381 VanDerWaalsContact CA-CH2 3.49Å; T671-W1381 HydrophobicContact CG2-CH2 4.49Å; T671-W1381 WeakPolarHBondContact O-CH2 3.47Å; T671-W1381 WeakPolarHBondContact O-CZ3 3.29Å; T671-W1381 WeakPolarHBondContact OG1-CH2 3.28Å |
| 672 | G | 73.4 | Confident | 85.9 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 148.3 | -8.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H668 D669 | H668-G672 PolarHBondContact CD2-O 3.44Å; D669-G672 PolarHBondContact O-N 2.81Å; D669-G672 PolarHBondContact OD1-N 2.96Å |
| 673 | K | 73.4 | Confident | 86.2 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | trans | -73.6 | 141.7 | -175.4 | -52.8 | 167.6 | -175.6 | -78.8 | 0 | 110.2 | H668 D669 T671 I675 Y688 D692 A1366 W1381 | H668-K673 CarbonylContact C-O 3.55Å; H668-K673 WeakPolarHBondContact CA-O 3.27Å; D669-K673 PolarHBondContact N-O 3.11Å; D669-K673 PolarHBondContact OD1-N 3.21Å; D669-K673 VanDerWaalsContact OD1-N 3.11Å; T671-K673 WeakPolarHBondContact OG1-CD 3.11Å; T671-K673 WeakPolarHBondContact OG1-CE 3.35Å; T671-K673 WeakPolarHBondContact OG1-CG 3.26Å; K673-I675 PolarHBondContact O-N 2.93Å; K673-Y688 HydrophobicContact CB-CE1 4.27Å; K673-Y688 HydrophobicContact CD-CD1 4.19Å; K673-Y688 HydrophobicContact CD-CE1 4.15Å; K673-D692 WeakPolarHBondContact CE-OD1 3.15Å; K673-D692 VanDerWaalsContact CE-OD2 3.29Å; K673-D692 WeakPolarHBondContact CE-OD2 3.42Å; K673-D692 IonicContact NZ-OD1 3.11Å; K673-D692 PolarHBondContact NZ-OD1 2.81Å; K673-D692 IonicContact NZ-OD2 2.67Å; K673-D692 PolarHBondContact NZ-OD2 2.76Å; K673-A1366 HydrophobicContact CD-CB 3.96Å; K673-A1366 HydrophobicContact CG-CB 3.88Å; K673-W1381 HydrophobicContact CG-CH2 4.42Å; K673-W1381 HydrophobicContact CG-CZ2 4.11Å | ||
| 674 | L | 78.6 | Confident | 86.2 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 104.7 | 174 | -171.8 | 70.2 | 0 | 0 | 0 | 110.3 | Y666 R676 W686 Y688 E1368 | Y666-L674 HydrophobicContact CD1-CD1 3.89Å; Y666-L674 HydrophobicContact CD1-CD2 4.12Å; Y666-L674 HydrophobicContact CG-CD1 4.24Å; L674-R676 WeakPolarHBondContact CD1-O 3.47Å; L674-W686 HydrophobicContact CD2-CE3 4.32Å; L674-W686 HydrophobicContact CD2-CH2 3.46Å; L674-W686 VanDerWaalsContact CD2-CH2 3.46Å; L674-W686 HydrophobicContact CD2-CZ2 4.19Å; L674-W686 HydrophobicContact CD2-CZ3 3.53Å; L674-W686 HydrophobicContact CG-CE3 4.19Å; L674-W686 HydrophobicContact CG-CH2 4.19Å; L674-W686 HydrophobicContact CG-CZ3 3.73Å; L674-Y688 PolarHBondContact O-OH 2.8Å; L674-E1368 VanDerWaalsContact CD2-O 3.22Å; L674-E1368 WeakPolarHBondContact CD2-O 3.4Å |
| 675 | I | 88.9 | Confident | 86.4 | Confident | 59 Ų | 59 | 38 Ų | 38 | 30% | 0.303 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -22.5 | 177.5 | 54.4 | 166.6 | 0 | 0 | 0 | 112.6 | H667 D669 K673 H685 W686 Y688 | H667-I675 WeakPolarHBondContact O-CG1 3.47Å; H667-I675 PolarHBondContact O-N 2.63Å; D669-I675 HydrophobicContact CB-CD1 4.12Å; D669-I675 HydrophobicContact CB-CG1 4.46Å; D669-I675 HydrophobicContact CB-CG2 3.76Å; K673-I675 PolarHBondContact O-N 2.93Å; I675-H685 VanDerWaalsContact O-CA 3.24Å; I675-H685 WeakPolarHBondContact O-CA 3.41Å; I675-W686 PolarHBondContact O-N 2.55Å; I675-Y688 HydrophobicContact CG2-CD2 4.4Å; I675-Y688 HydrophobicContact CG2-CE2 4Å |
| 676 | R | 91.8 | Very high | 86.2 | Confident | 67 Ų | 67 | 33 Ų | 33 | 25% | 0.253 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 138.6 | -176.7 | 173.2 | -175.1 | -173.8 | -104.5 | -16.6 | 112.8 | H667 L674 E678 V683 T684 H685 | H667-R676 HydrophobicContact CB-CB 4.06Å; H667-R676 PolarHBondContact CE1-NH1 2.79Å; H667-R676 PolarHBondContact N-O 3.01Å; H667-R676 PolarHBondContact NE2-NH1 3.04Å; H667-R676 PolarHBondContact O-N 2.83Å; L674-R676 WeakPolarHBondContact CD1-O 3.47Å; R676-E678 IonicContact CZ-OE1 3.78Å; R676-E678 IonicContact NH1-OE1 2.61Å; R676-E678 PolarHBondContact NH1-OE1 2.98Å; R676-E678 IonicContact NH2-OE1 3.73Å; R676-E678 PolarHBondContact NH2-OE1 3.13Å; R676-V683 HydrophobicContact CG-CG1 4.03Å; R676-T684 CarbonylContact C-O 3.55Å; R676-T684 WeakPolarHBondContact CA-O 3.24Å; R676-H685 VanDerWaalsContact CD-NE2 3.3Å; R676-H685 WeakPolarHBondContact CD-NE2 3.27Å; R676-H685 PolarHBondContact NE-NE2 2.82Å |
| 677 | S | 91.3 | Very high | 86.2 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.3 | 170.6 | 70 | 0 | 0 | 0 | 0 | 111.3 | R665 V683 T684 W686 | R665-S677 CarbonylContact O-C 3.2Å; R665-S677 VanDerWaalsContact O-CA 3.26Å; R665-S677 WeakPolarHBondContact O-CA 3.19Å; S677-V683 WeakPolarHBondContact O-CA 3.31Å; S677-T684 PolarHBondContact N-O 3.46Å; S677-T684 PolarHBondContact O-N 2.87Å; S677-W686 WeakPolarHBondContact OG-CH2 3.32Å |
| 678 | E | 92.6 | Very high | 85.9 | Confident | 37 Ų | 37 | 34.6 Ų | 34.6 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.9 | 171.7 | -55.4 | 174.4 | -168.6 | 0 | 0 | 108.7 | Q664 R665 H667 R676 L682 V683 | Q664-E678 CarbonylContact C-O 3.41Å; Q664-E678 WeakPolarHBondContact CA-O 3.48Å; R665-E678 HydrophobicContact CB-CB 4.17Å; R665-E678 HydrophobicContact CB-CG 4.48Å; R665-E678 PolarHBondContact N-O 2.98Å; R665-E678 IonicContact NH1-OE2 3.04Å; R665-E678 PolarHBondContact NH1-OE2 3.41Å; R665-E678 PolarHBondContact O-N 3.09Å; H667-E678 IonicContact CE1-OE1 3.91Å; H667-E678 IonicContact NE2-OE1 3.15Å; H667-E678 PolarHBondContact NE2-OE1 2.8Å; R676-E678 IonicContact CZ-OE1 3.78Å; R676-E678 IonicContact NH1-OE1 2.61Å; R676-E678 PolarHBondContact NH1-OE1 2.98Å; R676-E678 IonicContact NH2-OE1 3.73Å; R676-E678 PolarHBondContact NH2-OE1 3.13Å; E678-L682 CarbonylContact C-O 3.42Å; E678-L682 WeakPolarHBondContact CA-O 3.24Å; E678-V683 HydrophobicContact CG-CG2 4.41Å |
| 679 | D | 88.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 103.4 | 169.9 | 170.4 | 44.5 | 0 | 0 | 0 | 108.9 | R662 Q664 G681 L682 H931 H962 | R662-D679 VanDerWaalsContact CD-OD1 3.26Å; R662-D679 WeakPolarHBondContact CD-OD1 3.39Å; R662-D679 WeakPolarHBondContact CG-OD1 3.24Å; R662-D679 IonicContact CZ-OD1 2.75Å; R662-D679 IonicContact NE-OD1 2.69Å; R662-D679 IonicContact NH1-OD1 3.29Å; R662-D679 PolarHBondContact NH1-OD1 3.31Å; R662-D679 IonicContact NH1-OD2 3.06Å; R662-D679 PolarHBondContact NH1-OD2 3.13Å; Q664-D679 HydrophobicContact CG-CB 4.22Å; D679-G681 PolarHBondContact O-N 2.76Å; D679-L682 HydrophobicContact CB-CB 4.39Å; D679-L682 PolarHBondContact N-O 3.3Å; D679-L682 WeakPolarHBondContact O-CA 3.41Å; D679-L682 WeakPolarHBondContact O-CB 3.06Å; D679-L682 PolarHBondContact O-N 3.18Å; D679-H931 PolarHBondContact O-CE1 3.19Å; D679-H931 IonicContact OD2-CE1 3.75Å; D679-H931 IonicContact OD2-CG 2.64Å; D679-H931 IonicContact OD2-ND1 2.78Å; D679-H931 PolarHBondContact OD2-ND1 3.11Å; D679-H962 IonicContact OD2-CE1 3.68Å |
| 680 | E | 86.2 | Confident | 85.6 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 33% | 0.327 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 36.5 | 178.8 | -65.2 | -62.8 | 145 | 0 | 0 | 114.2 | R662 T663 R930 | R662-E680 HydrophobicContact CG-CG 3.67Å; T663-E680 PolarHBondContact N-OE1 2.82Å; T663-E680 VanDerWaalsContact N-OE1 3.17Å; E680-R930 HydrophobicContact CB-CB 4.45Å; E680-R930 HydrophobicContact CB-CG 3.91Å; E680-R930 HydrophobicContact CG-CB 4.4Å; E680-R930 HydrophobicContact CG-CG 4.36Å; E680-R930 PolarHBondContact O-NE 3.09Å; E680-R930 PolarHBondContact O-NH1 3.49Å; E680-R930 VanDerWaalsContact O-NH1 3.09Å; E680-R930 PolarHBondContact O-NH2 3.04Å |
| 681 | G | 82.4 | Confident | 85 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 57% | 0.567 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 5.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D679 | D679-G681 PolarHBondContact O-N 2.76Š|
| 682 | L | 87.7 | Confident | 85 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125.3 | 151.6 | -174.7 | 70.5 | 0 | 0 | 0 | 107.3 | E678 D679 V699 K700 S960 H962 | E678-L682 CarbonylContact C-O 3.42Å; E678-L682 WeakPolarHBondContact CA-O 3.24Å; D679-L682 HydrophobicContact CB-CB 4.39Å; D679-L682 PolarHBondContact N-O 3.3Å; D679-L682 WeakPolarHBondContact O-CA 3.41Å; D679-L682 WeakPolarHBondContact O-CB 3.06Å; D679-L682 PolarHBondContact O-N 3.18Å; L682-V699 HydrophobicContact CD1-CG1 3.55Å; L682-V699 HydrophobicContact CG-CG1 4.16Å; L682-K700 HydrophobicContact CD1-CD 4.36Å; L682-K700 HydrophobicContact CD1-CG 4.03Å; L682-S960 WeakPolarHBondContact CD1-O 3.33Å; L682-S960 WeakPolarHBondContact CD2-O 3.29Å; L682-H962 WeakPolarHBondContact CD2-NE2 2.97Å |
| 683 | V | 92.2 | Very high | 85.2 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.5 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | R676 S677 E678 H685 V699 K700 | R676-V683 HydrophobicContact CG-CG1 4.03Å; S677-V683 WeakPolarHBondContact O-CA 3.31Å; E678-V683 HydrophobicContact CG-CG2 4.41Å; V683-H685 VanDerWaalsContact CG1-CE1 3.48Å; V683-H685 WeakPolarHBondContact CG1-CE1 3.3Å; V683-V699 CarbonylContact O-C 3.5Å; V683-V699 WeakPolarHBondContact O-CA 3.24Å; V683-K700 PolarHBondContact O-N 2.82Å |
| 684 | T | 91.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.9 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 108.9 | R676 S677 W686 R697 T698 V699 | R676-T684 CarbonylContact C-O 3.55Å; R676-T684 WeakPolarHBondContact CA-O 3.24Å; S677-T684 PolarHBondContact N-O 3.46Å; S677-T684 PolarHBondContact O-N 2.87Å; T684-W686 HydrophobicContact CG2-CD2 4.18Å; T684-W686 HydrophobicContact CG2-CE3 4.15Å; T684-W686 HydrophobicContact CG2-CH2 3.89Å; T684-W686 HydrophobicContact CG2-CZ2 3.89Å; T684-W686 HydrophobicContact CG2-CZ3 4.01Å; T684-R697 HydrophobicContact CG2-CG 3.73Å; T684-T698 CarbonylContact C-O 3.57Å; T684-T698 VanDerWaalsContact CA-O 3.28Å; T684-T698 WeakPolarHBondContact CA-O 3.32Å; T684-V699 HydrophobicContact CG2-CG2 4.21Å |
| 685 | H | 93.1 | Very high | 86.2 | Confident | 58 Ų | 58 | 38.2 Ų | 38.2 | 27% | 0.269 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.9 | 168.8 | -51.1 | 84.3 | 0 | 0 | 0 | 110.6 | I675 R676 V683 R697 T698 | I675-H685 VanDerWaalsContact O-CA 3.24Å; I675-H685 WeakPolarHBondContact O-CA 3.41Å; R676-H685 VanDerWaalsContact CD-NE2 3.3Å; R676-H685 WeakPolarHBondContact CD-NE2 3.27Å; R676-H685 PolarHBondContact NE-NE2 2.82Å; V683-H685 VanDerWaalsContact CG1-CE1 3.48Å; V683-H685 WeakPolarHBondContact CG1-CE1 3.3Å; H685-R697 CarbonylContact O-C 3.53Å; H685-R697 WeakPolarHBondContact O-CA 3.43Å; H685-R697 WeakPolarHBondContact O-CG 3.25Å; H685-T698 PolarHBondContact N-O 2.95Å; H685-T698 PolarHBondContact O-N 3.26Å |
| 686 | W | 90.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.7 | 175.3 | -66.1 | -102.3 | 0 | 0 | 0 | 109.7 | L674 I675 S677 T684 Y688 L694 E1368 | L674-W686 HydrophobicContact CD2-CE3 4.32Å; L674-W686 HydrophobicContact CD2-CH2 3.46Å; L674-W686 VanDerWaalsContact CD2-CH2 3.46Å; L674-W686 HydrophobicContact CD2-CZ2 4.19Å; L674-W686 HydrophobicContact CD2-CZ3 3.53Å; L674-W686 HydrophobicContact CG-CE3 4.19Å; L674-W686 HydrophobicContact CG-CH2 4.19Å; L674-W686 HydrophobicContact CG-CZ3 3.73Å; I675-W686 PolarHBondContact O-N 2.55Å; S677-W686 WeakPolarHBondContact OG-CH2 3.32Å; T684-W686 HydrophobicContact CG2-CD2 4.18Å; T684-W686 HydrophobicContact CG2-CE3 4.15Å; T684-W686 HydrophobicContact CG2-CH2 3.89Å; T684-W686 HydrophobicContact CG2-CZ2 3.89Å; T684-W686 HydrophobicContact CG2-CZ3 4.01Å; W686-Y688 HydrophobicContact CB-CE2 3.63Å; W686-L694 HydrophobicContact CB-CD1 3.85Å; W686-L694 HydrophobicContact CG-CD1 4.34Å; W686-E1368 PolarHBondContact NE1-OE2 3.43Å |
| 687 | H | 90.7 | Very high | 86.4 | Confident | 63 Ų | 63 | 35.4 Ų | 35.4 | 29% | 0.292 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.4 | -175.2 | -60.6 | -89.1 | 0 | 0 | 0 | 111.7 | T695 H696 | H687-T695 PolarHBondContact O-N 2.79Å; H687-T695 PolarHBondContact O-OG1 3.44Å; H687-H696 WeakPolarHBondContact CB-CE1 3.41Å; H687-H696 WeakPolarHBondContact CB-ND1 3.45Å; H687-H696 WeakPolarHBondContact CB-O 3.03Å; H687-H696 AromaticContact CD2-CD2 3.58Å; H687-H696 AromaticContact CD2-CE1 3.87Å; H687-H696 AromaticContact CD2-NE2 3.47Å; H687-H696 PolarHBondContact CD2-NE2 3.26Å; H687-H696 PolarHBondContact CD2-O 3.45Å; H687-H696 AromaticContact CG-CD2 3.96Å; H687-H696 AromaticContact CG-CE1 3.44Å; H687-H696 VanDerWaalsContact CG-CE1 3.44Å; H687-H696 AromaticContact CG-ND1 3.93Å; H687-H696 AromaticContact CG-NE2 3.47Å; H687-H696 PolarHBondContact N-O 2.73Å; H687-H696 AromaticContact ND1-CE1 3.99Å; H687-H696 AromaticContact ND1-NE2 3.9Å; H687-H696 AromaticContact NE2-NE2 3.92Å |
| 688 | Y | 85.1 | Confident | 86.4 | Confident | 46 Ų | 46 | 36 Ų | 36 | 18% | 0.18 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 153.9 | -170.3 | -57.6 | -104.1 | 0 | 0 | 0 | 111.1 | K673 L674 I675 W686 R693 A1365 A1366 | K673-Y688 HydrophobicContact CB-CE1 4.27Å; K673-Y688 HydrophobicContact CD-CD1 4.19Å; K673-Y688 HydrophobicContact CD-CE1 4.15Å; L674-Y688 PolarHBondContact O-OH 2.8Å; I675-Y688 HydrophobicContact CG2-CD2 4.4Å; I675-Y688 HydrophobicContact CG2-CE2 4Å; W686-Y688 HydrophobicContact CB-CE2 3.63Å; Y688-R693 CarbonylContact C-O 3.57Å; Y688-R693 VanDerWaalsContact CA-O 3.3Å; Y688-R693 WeakPolarHBondContact CA-O 3.4Å; Y688-A1365 HydrophobicContact CD1-CB 3.71Å; Y688-A1365 VanDerWaalsContact CD1-O 3.23Å; Y688-A1365 WeakPolarHBondContact CD1-O 3.37Å; Y688-A1365 HydrophobicContact CE1-CB 3.28Å; Y688-A1365 WeakPolarHBondContact CE1-O 3.45Å; Y688-A1366 HydrophobicContact CE1-CB 4.01Å |
| 689 | D | 84.6 | Confident | 86.2 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | trans | -95.5 | 178 | 163.7 | 74 | 4 | 0 | 0 | 0 | 112.3 | A691 D692 R693 T695 | D689-A691 PolarHBondContact O-N 3Å; D689-A691 VanDerWaalsContact O-N 3.16Å; D689-A691 WeakPolarHBondContact OD1-CA 3.44Å; D689-A691 VanDerWaalsContact OD1-CB 3.29Å; D689-A691 WeakPolarHBondContact OD1-CB 3.33Å; D689-A691 PolarHBondContact OD1-N 3.35Å; D689-D692 PolarHBondContact O-N 2.78Å; D689-D692 PolarHBondContact OD1-N 3.49Å; D689-R693 PolarHBondContact N-O 2.8Å; D689-R693 WeakPolarHBondContact OD1-CB 3.49Å; D689-R693 PolarHBondContact OD1-N 2.66Å; D689-R693 IonicContact OD1-NE 3.09Å; D689-R693 IonicContact OD2-CZ 2.67Å; D689-R693 VanDerWaalsContact OD2-CZ 3.27Å; D689-R693 IonicContact OD2-NE 2.75Å; D689-R693 PolarHBondContact OD2-NE 3.08Å; D689-R693 IonicContact OD2-NH2 3.77Å; D689-R693 PolarHBondContact OD2-NH2 3.35Å; D689-T695 HydrophobicContact CB-CG2 3.84Å | ||
| 690 | E | 79 | Confident | 86.1 | Confident | 116 Ų | 116 | 40.1 Ų | 40.1 | 54% | 0.542 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.8 | 178.8 | -63.6 | -63 | 162.7 | 0 | 0 | 113.8 | R429 D692 | R429-E690 VanDerWaalsContact CD-OE2 3.28Å; R429-E690 WeakPolarHBondContact CD-OE2 3.41Å; E690-D692 VanDerWaalsContact C-N 3.32Å |
| 691 | A | 71.4 | Confident | 86 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D449 D689 R693 | D449-A691 HydrophobicContact CB-CB 4.04Å; D449-A691 WeakPolarHBondContact OD2-CB 3.25Å; D689-A691 PolarHBondContact O-N 3Å; D689-A691 VanDerWaalsContact O-N 3.16Å; D689-A691 WeakPolarHBondContact OD1-CA 3.44Å; D689-A691 VanDerWaalsContact OD1-CB 3.29Å; D689-A691 WeakPolarHBondContact OD1-CB 3.33Å; D689-A691 PolarHBondContact OD1-N 3.35Å; A691-R693 HydrophobicContact CB-CG 4.19Å |
| 692 | D | 73 | Confident | 86.1 | Confident | 37 Ų | 37 | 44 Ų | 44 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 59.3 | 48.3 | -169 | -73.3 | -40.1 | 0 | 0 | 0 | 113.5 | R429 K673 D689 E690 | R429-D692 IonicContact CZ-OD1 2.84Å; R429-D692 IonicContact CZ-OD2 3.11Å; R429-D692 VanDerWaalsContact NH1-CG 3.3Å; R429-D692 IonicContact NH1-OD1 2.75Å; R429-D692 PolarHBondContact NH1-OD1 3.26Å; R429-D692 IonicContact NH1-OD2 3.04Å; R429-D692 IonicContact NH2-OD1 3.73Å; R429-D692 PolarHBondContact NH2-OD1 2.82Å; R429-D692 IonicContact NH2-OD2 2.74Å; R429-D692 PolarHBondContact NH2-OD2 3.48Å; K673-D692 WeakPolarHBondContact CE-OD1 3.15Å; K673-D692 VanDerWaalsContact CE-OD2 3.29Å; K673-D692 WeakPolarHBondContact CE-OD2 3.42Å; K673-D692 IonicContact NZ-OD1 3.11Å; K673-D692 PolarHBondContact NZ-OD1 2.81Å; K673-D692 IonicContact NZ-OD2 2.67Å; K673-D692 PolarHBondContact NZ-OD2 2.76Å; D689-D692 PolarHBondContact O-N 2.78Å; D689-D692 PolarHBondContact OD1-N 3.49Å; E690-D692 VanDerWaalsContact C-N 3.32Å |
| 693 | R | 76 | Confident | 85.9 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | trans | -115.5 | 145.3 | 170.9 | -56.3 | 176.4 | -61.8 | -170.4 | -1.6 | 112.6 | Y688 D689 A691 T695 Y709 Y1361 D1364 | Y688-R693 CarbonylContact C-O 3.57Å; Y688-R693 VanDerWaalsContact CA-O 3.3Å; Y688-R693 WeakPolarHBondContact CA-O 3.4Å; D689-R693 PolarHBondContact N-O 2.8Å; D689-R693 WeakPolarHBondContact OD1-CB 3.49Å; D689-R693 PolarHBondContact OD1-N 2.66Å; D689-R693 IonicContact OD1-NE 3.09Å; D689-R693 IonicContact OD2-CZ 2.67Å; D689-R693 VanDerWaalsContact OD2-CZ 3.27Å; D689-R693 IonicContact OD2-NE 2.75Å; D689-R693 PolarHBondContact OD2-NE 3.08Å; D689-R693 IonicContact OD2-NH2 3.77Å; D689-R693 PolarHBondContact OD2-NH2 3.35Å; A691-R693 HydrophobicContact CB-CG 4.19Å; R693-T695 PolarHBondContact O-N 2.83Å; R693-Y709 HydrophobicContact CB-CD2 4.3Å; R693-Y709 HydrophobicContact CB-CE2 3.56Å; R693-Y709 HydrophobicContact CG-CE2 4.35Å; R693-Y1361 VanDerWaalsContact CD-O 3.25Å; R693-Y1361 WeakPolarHBondContact CD-O 3.29Å; R693-Y1361 VanDerWaalsContact CG-O 3.3Å; R693-Y1361 WeakPolarHBondContact CG-O 3.38Å; R693-D1364 CarbonylContact C-O 3.45Å; R693-D1364 WeakPolarHBondContact CA-O 3.38Å | ||
| 694 | L | 85.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 135.1 | 175.7 | -154.9 | 48.2 | 0 | 0 | 0 | 109.5 | W686 W707 Y709 D1364 A1365 | W686-L694 HydrophobicContact CB-CD1 3.85Å; W686-L694 HydrophobicContact CG-CD1 4.34Å; L694-W707 HydrophobicContact CB-CD2 4.28Å; L694-W707 HydrophobicContact CB-CE3 4.22Å; L694-W707 HydrophobicContact CD2-CD2 3.99Å; L694-W707 HydrophobicContact CD2-CE3 3.73Å; L694-W707 HydrophobicContact CD2-CH2 3.25Å; L694-W707 HydrophobicContact CD2-CZ2 3.51Å; L694-W707 HydrophobicContact CD2-CZ3 3.37Å; L694-W707 HydrophobicContact CG-CD2 4.12Å; L694-W707 HydrophobicContact CG-CE3 3.65Å; L694-W707 HydrophobicContact CG-CH2 4.08Å; L694-W707 HydrophobicContact CG-CZ2 4.48Å; L694-W707 HydrophobicContact CG-CZ3 3.64Å; L694-W707 WeakPolarHBondContact O-CB 3.1Å; L694-Y709 WeakPolarHBondContact O-CE2 3.24Å; L694-Y709 PolarHBondContact O-OH 2.76Å; L694-D1364 HydrophobicContact CB-CB 3.31Å; L694-D1364 HydrophobicContact CD2-CB 4.32Å; L694-D1364 HydrophobicContact CG-CB 4.45Å; L694-D1364 PolarHBondContact N-O 3.23Å; L694-A1365 HydrophobicContact CB-CB 3.44Å; L694-A1365 VanDerWaalsContact CB-CB 3.44Å; L694-A1365 HydrophobicContact CD1-CB 3.59Å; L694-A1365 HydrophobicContact CD2-CB 4.05Å; L694-A1365 HydrophobicContact CG-CB 3.85Å |
| 695 | T | 89.6 | Confident | 85.7 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -39.4 | 174.8 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | H687 D689 R693 R706 W707 | H687-T695 PolarHBondContact O-N 2.79Å; H687-T695 PolarHBondContact O-OG1 3.44Å; D689-T695 HydrophobicContact CB-CG2 3.84Å; R693-T695 PolarHBondContact O-N 2.83Å; T695-R706 WeakPolarHBondContact O-CA 3.13Å; T695-R706 WeakPolarHBondContact O-CG 3.26Å; T695-W707 PolarHBondContact O-N 2.74Å |
| 696 | H | 92 | Very high | 85.8 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 163.2 | 176.5 | 60.8 | -63.6 | 0 | 0 | 0 | 111.4 | H687 E705 R706 | H687-H696 WeakPolarHBondContact CB-CE1 3.41Å; H687-H696 WeakPolarHBondContact CB-ND1 3.45Å; H687-H696 WeakPolarHBondContact CB-O 3.03Å; H687-H696 AromaticContact CD2-CD2 3.58Å; H687-H696 AromaticContact CD2-CE1 3.87Å; H687-H696 AromaticContact CD2-NE2 3.47Å; H687-H696 PolarHBondContact CD2-NE2 3.26Å; H687-H696 PolarHBondContact CD2-O 3.45Å; H687-H696 AromaticContact CG-CD2 3.96Å; H687-H696 AromaticContact CG-CE1 3.44Å; H687-H696 VanDerWaalsContact CG-CE1 3.44Å; H687-H696 AromaticContact CG-ND1 3.93Å; H687-H696 AromaticContact CG-NE2 3.47Å; H687-H696 PolarHBondContact N-O 2.73Å; H687-H696 AromaticContact ND1-CE1 3.99Å; H687-H696 AromaticContact ND1-NE2 3.9Å; H687-H696 AromaticContact NE2-NE2 3.92Å; H696-E705 CarbonylContact C-O 3.5Å; H696-E705 VanDerWaalsContact CA-O 3.25Å; H696-E705 WeakPolarHBondContact CA-O 3.25Å; H696-E705 WeakPolarHBondContact CB-O 3.16Å; H696-R706 HydrophobicContact CB-CB 4.49Å |
| 697 | R | 91.8 | Very high | 85.9 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.3 | 174.6 | -174.8 | 163.7 | 68 | -178.1 | 1.5 | 108.6 | T684 H685 A704 E705 W707 E1368 | T684-R697 HydrophobicContact CG2-CG 3.73Å; H685-R697 CarbonylContact O-C 3.53Å; H685-R697 WeakPolarHBondContact O-CA 3.43Å; H685-R697 WeakPolarHBondContact O-CG 3.25Å; R697-A704 PolarHBondContact O-N 2.95Å; R697-E705 IonicContact CZ-OE1 3.46Å; R697-E705 IonicContact CZ-OE2 2.69Å; R697-E705 PolarHBondContact N-O 3.08Å; R697-E705 IonicContact NE-OE2 2.71Å; R697-E705 PolarHBondContact NE-OE2 3.42Å; R697-E705 IonicContact NH2-OE1 2.61Å; R697-E705 PolarHBondContact NH2-OE1 2.82Å; R697-E705 IonicContact NH2-OE2 3.79Å; R697-E705 PolarHBondContact NH2-OE2 3.39Å; R697-E705 VanDerWaalsContact NH2-OE2 3.08Å; R697-W707 HydrophobicContact CB-CH2 3.96Å; R697-W707 HydrophobicContact CB-CZ3 3.79Å; R697-E1368 IonicContact CZ-OE2 2.77Å; R697-E1368 IonicContact NH1-OE1 2.69Å; R697-E1368 PolarHBondContact NH1-OE1 2.82Å; R697-E1368 IonicContact NH1-OE2 2.73Å; R697-E1368 PolarHBondContact NH1-OE2 3.38Å |
| 698 | T | 91.3 | Very high | 86.1 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.7 | 173.5 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | T684 H685 E702 | T684-T698 CarbonylContact C-O 3.57Å; T684-T698 VanDerWaalsContact CA-O 3.28Å; T684-T698 WeakPolarHBondContact CA-O 3.32Å; H685-T698 PolarHBondContact N-O 2.95Å; H685-T698 PolarHBondContact O-N 3.26Å; T698-E702 CarbonylContact C-O 3.58Å; T698-E702 WeakPolarHBondContact CA-O 3.03Å; T698-E702 WeakPolarHBondContact CB-O 3.29Å |
| 699 | V | 88.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.3 | 177.2 | -169.4 | 0 | 0 | 0 | 0 | 108.3 | L682 V683 T684 G701 E702 A704 | L682-V699 HydrophobicContact CD1-CG1 3.55Å; L682-V699 HydrophobicContact CG-CG1 4.16Å; V683-V699 CarbonylContact O-C 3.5Å; V683-V699 WeakPolarHBondContact O-CA 3.24Å; T684-V699 HydrophobicContact CG2-CG2 4.21Å; V699-G701 PolarHBondContact O-N 2.88Å; V699-G701 VanDerWaalsContact O-N 3.17Å; V699-E702 PolarHBondContact N-O 3.16Å; V699-E702 PolarHBondContact O-N 2.95Å; V699-E702 VanDerWaalsContact O-N 3.11Å; V699-A704 HydrophobicContact CG2-CB 3.86Å |
| 700 | K | 87.1 | Confident | 86.5 | Confident | 128 Ų | 128 | 54.3 Ų | 54.3 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 21.5 | -167.4 | -58 | -179.1 | 178.9 | 174.9 | 0 | 114.4 | L682 V683 E702 | L682-K700 HydrophobicContact CD1-CD 4.36Å; L682-K700 HydrophobicContact CD1-CG 4.03Å; V683-K700 PolarHBondContact O-N 2.82Å; K700-E702 VanDerWaalsContact C-N 3.33Å |
| 701 | G | 84 | Confident | 86.8 | Confident | 61 Ų | 61 | 58 Ų | 58 | 63% | 0.629 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -1.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V699 | V699-G701 PolarHBondContact O-N 2.88Å; V699-G701 VanDerWaalsContact O-N 3.17Å |
| 702 | E | 84.3 | Confident | 87.5 | Confident | 145 Ų | 145 | 61.7 Ų | 61.7 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.8 | 171.3 | -63.2 | 176.2 | 171.2 | 0 | 0 | 109.3 | T698 V699 K700 A704 | T698-E702 CarbonylContact C-O 3.58Å; T698-E702 WeakPolarHBondContact CA-O 3.03Å; T698-E702 WeakPolarHBondContact CB-O 3.29Å; V699-E702 PolarHBondContact N-O 3.16Å; V699-E702 PolarHBondContact O-N 2.95Å; V699-E702 VanDerWaalsContact O-N 3.11Å; K700-E702 VanDerWaalsContact C-N 3.33Å; E702-A704 PolarHBondContact O-N 2.83Å |
| 703 | T | 84 | Confident | 88 | Confident | 95 Ų | 95 | 60 Ų | 60 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 121.5 | 173.6 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 704 | A | 87.1 | Confident | 88.4 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -97.2 | 170 | 0 | 0 | 0 | 0 | 0 | 108 | R697 V699 E702 H720 | R697-A704 PolarHBondContact O-N 2.95Å; V699-A704 HydrophobicContact CG2-CB 3.86Å; E702-A704 PolarHBondContact O-N 2.83Å; A704-H720 WeakPolarHBondContact O-CB 3.45Å |
| 705 | E | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 156.6 | 178.1 | -52.4 | 89.3 | 165.6 | 0 | 0 | 113.9 | H696 R697 W707 I718 S719 H720 Q961 P985 | H696-E705 CarbonylContact C-O 3.5Å; H696-E705 VanDerWaalsContact CA-O 3.25Å; H696-E705 WeakPolarHBondContact CA-O 3.25Å; H696-E705 WeakPolarHBondContact CB-O 3.16Å; R697-E705 IonicContact CZ-OE1 3.46Å; R697-E705 IonicContact CZ-OE2 2.69Å; R697-E705 PolarHBondContact N-O 3.08Å; R697-E705 IonicContact NE-OE2 2.71Å; R697-E705 PolarHBondContact NE-OE2 3.42Å; R697-E705 IonicContact NH2-OE1 2.61Å; R697-E705 PolarHBondContact NH2-OE1 2.82Å; R697-E705 IonicContact NH2-OE2 3.79Å; R697-E705 PolarHBondContact NH2-OE2 3.39Å; R697-E705 VanDerWaalsContact NH2-OE2 3.08Å; E705-W707 HydrophobicContact CB-CE3 4.18Å; E705-W707 HydrophobicContact CB-CH2 3.47Å; E705-W707 VanDerWaalsContact CB-CH2 3.47Å; E705-W707 HydrophobicContact CB-CZ2 4Å; E705-W707 HydrophobicContact CB-CZ3 3.57Å; E705-W707 HydrophobicContact CG-CH2 4.23Å; E705-I718 HydrophobicContact CB-CG2 4.39Å; E705-S719 CarbonylContact C-O 3.56Å; E705-S719 WeakPolarHBondContact CA-O 3.37Å; E705-H720 HydrophobicContact CG-CB 4.27Å; E705-Q961 PolarHBondContact OE1-NE2 2.69Å; E705-P985 HydrophobicContact CB-CB 4.38Å; E705-P985 HydrophobicContact CG-CB 3.84Å |
| 706 | R | 94.3 | Very high | 88.8 | Confident | 133 Ų | 133 | 59.5 Ų | 59.5 | 50% | 0.502 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.9 | 171.1 | -175.9 | -179.5 | -173.7 | 156.3 | 5.8 | 109.7 | T695 H696 I718 S719 | T695-R706 WeakPolarHBondContact O-CA 3.13Å; T695-R706 WeakPolarHBondContact O-CG 3.26Å; H696-R706 HydrophobicContact CB-CB 4.49Å; R706-I718 CarbonylContact O-C 3.57Å; R706-I718 VanDerWaalsContact O-CA 3.25Å; R706-I718 WeakPolarHBondContact O-CA 3.47Å; R706-I718 WeakPolarHBondContact O-CG2 3.44Å; R706-S719 PolarHBondContact N-O 3.12Å; R706-S719 PolarHBondContact O-N 2.93Å |
| 707 | W | 93.3 | Very high | 88.9 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 156.5 | 178.2 | -65.3 | -104.3 | 0 | 0 | 0 | 110.5 | L694 T695 R697 E705 L715 I718 D1364 | L694-W707 HydrophobicContact CB-CD2 4.28Å; L694-W707 HydrophobicContact CB-CE3 4.22Å; L694-W707 HydrophobicContact CD2-CD2 3.99Å; L694-W707 HydrophobicContact CD2-CE3 3.73Å; L694-W707 HydrophobicContact CD2-CH2 3.25Å; L694-W707 HydrophobicContact CD2-CZ2 3.51Å; L694-W707 HydrophobicContact CD2-CZ3 3.37Å; L694-W707 HydrophobicContact CG-CD2 4.12Å; L694-W707 HydrophobicContact CG-CE3 3.65Å; L694-W707 HydrophobicContact CG-CH2 4.08Å; L694-W707 HydrophobicContact CG-CZ2 4.48Å; L694-W707 HydrophobicContact CG-CZ3 3.64Å; L694-W707 WeakPolarHBondContact O-CB 3.1Å; T695-W707 PolarHBondContact O-N 2.74Å; R697-W707 HydrophobicContact CB-CH2 3.96Å; R697-W707 HydrophobicContact CB-CZ3 3.79Å; E705-W707 HydrophobicContact CB-CE3 4.18Å; E705-W707 HydrophobicContact CB-CH2 3.47Å; E705-W707 VanDerWaalsContact CB-CH2 3.47Å; E705-W707 HydrophobicContact CB-CZ2 4Å; E705-W707 HydrophobicContact CB-CZ3 3.57Å; E705-W707 HydrophobicContact CG-CH2 4.23Å; W707-L715 HydrophobicContact CB-CD1 4.1Å; W707-L715 HydrophobicContact CG-CD1 4.46Å; W707-I718 HydrophobicContact CD2-CG2 4.1Å; W707-I718 HydrophobicContact CG-CG2 4.03Å; W707-D1364 VanDerWaalsContact CD1-OD1 3.27Å; W707-D1364 HydrophobicContact CG-CB 4.43Å; W707-D1364 PolarHBondContact NE1-OD1 3.03Å; W707-D1364 PolarHBondContact NE1-OD2 2.87Å |
| 708 | R | 94 | Very high | 89.1 | Confident | 112 Ų | 112 | 57.1 Ų | 57.1 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 138.1 | 178.6 | -65.5 | -164.3 | -173.5 | 129.3 | -7.2 | 112.9 | T716 D717 | R708-T716 PolarHBondContact O-N 2.86Å; R708-T716 PolarHBondContact O-OG1 3.25Å; R708-D717 WeakPolarHBondContact CD-OD1 3.14Å; R708-D717 IonicContact CZ-OD1 2.75Å; R708-D717 IonicContact CZ-OD2 2.72Å; R708-D717 PolarHBondContact N-O 3.17Å; R708-D717 IonicContact NE-OD1 3.28Å; R708-D717 IonicContact NH1-OD1 2.69Å; R708-D717 PolarHBondContact NH1-OD1 3.22Å; R708-D717 IonicContact NH1-OD2 2.79Å; R708-D717 PolarHBondContact NH1-OD2 3.42Å |
| 709 | Y | 90 | Very high | 89.3 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 157 | 178 | -46.6 | -74.8 | 0 | 0 | 0 | 112.2 | R693 L694 G713 W714 L715 Q1363 D1364 | R693-Y709 HydrophobicContact CB-CD2 4.3Å; R693-Y709 HydrophobicContact CB-CE2 3.56Å; R693-Y709 HydrophobicContact CG-CE2 4.35Å; L694-Y709 WeakPolarHBondContact O-CE2 3.24Å; L694-Y709 PolarHBondContact O-OH 2.76Å; Y709-G713 VanDerWaalsContact CD1-O 3.29Å; Y709-G713 WeakPolarHBondContact CD1-O 3.39Å; Y709-W714 VanDerWaalsContact CA-O 3.23Å; Y709-W714 WeakPolarHBondContact CA-O 3.46Å; Y709-L715 HydrophobicContact CD1-CB 4.23Å; Y709-L715 HydrophobicContact CD1-CD1 4.22Å; Y709-L715 HydrophobicContact CE1-CB 4.16Å; Y709-L715 HydrophobicContact CE1-CD1 3.74Å; Y709-Q1363 VanDerWaalsContact CE1-O 3.27Å; Y709-Q1363 WeakPolarHBondContact CE1-O 3.46Å; Y709-Q1363 PolarHBondContact OH-O 3.5Å; Y709-Q1363 VanDerWaalsContact OH-O 3.11Å; Y709-D1364 WeakPolarHBondContact OH-CB 3.14Å; Y709-D1364 PolarHBondContact OH-OD2 2.85Å |
| 710 | D | 89 | Confident | 89.5 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | trans | -82.2 | -176 | 166.5 | 63.4 | 19.6 | 0 | 0 | 0 | 112.4 | R712 G713 W714 T716 | D710-R712 VanDerWaalsContact C-N 3.32Å; D710-R712 VanDerWaalsContact OD1-CB 3.27Å; D710-R712 WeakPolarHBondContact OD1-CB 3.29Å; D710-R712 PolarHBondContact OD1-N 3.5Å; D710-G713 WeakPolarHBondContact O-CA 3.31Å; D710-G713 PolarHBondContact O-N 2.81Å; D710-G713 WeakPolarHBondContact OD1-CA 3Å; D710-G713 PolarHBondContact OD1-N 3.21Å; D710-W714 PolarHBondContact N-O 2.91Å; D710-W714 VanDerWaalsContact N-O 3.08Å; D710-W714 PolarHBondContact OD1-N 3.28Å; D710-T716 HydrophobicContact CB-CG2 3.77Å | ||
| 711 | E | 86.2 | Confident | 89.8 | Confident | 195 Ų | 195 | 56.4 Ų | 56.4 | 91% | 0.911 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -69.9 | -29.1 | -178.8 | -64.1 | -178.9 | 169.8 | 0 | 0 | 113.3 | G713 | E711-G713 VanDerWaalsContact C-N 3.32Š|
| 712 | R | 85 | Confident | 90.2 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -60.8 | -50.7 | 164.8 | -91.1 | -179.6 | -168.4 | -146.3 | 1.2 | 107.7 | D710 W714 E735 Y1361 | D710-R712 VanDerWaalsContact C-N 3.32Å; D710-R712 VanDerWaalsContact OD1-CB 3.27Å; D710-R712 WeakPolarHBondContact OD1-CB 3.29Å; D710-R712 PolarHBondContact OD1-N 3.5Å; R712-W714 HydrophobicContact CB-CD2 4.35Å; R712-E735 PolarHBondContact NH1-O 3.01Å; R712-Y1361 HydrophobicContact CB-CE1 4.32Å; R712-Y1361 VanDerWaalsContact CB-OH 3.31Å; R712-Y1361 WeakPolarHBondContact CB-OH 3.21Å; R712-Y1361 VanDerWaalsContact O-CD1 3.26Å; R712-Y1361 WeakPolarHBondContact O-CD1 3.32Å; R712-Y1361 WeakPolarHBondContact O-CE1 3.38Å; R712-Y1361 PolarHBondContact O-OH 3.49Å |
| 713 | G | 83.1 | Confident | 90.5 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | 121 | 13 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y709 D710 E711 Y1361 | Y709-G713 VanDerWaalsContact CD1-O 3.29Å; Y709-G713 WeakPolarHBondContact CD1-O 3.39Å; D710-G713 WeakPolarHBondContact O-CA 3.31Å; D710-G713 PolarHBondContact O-N 2.81Å; D710-G713 WeakPolarHBondContact OD1-CA 3Å; D710-G713 PolarHBondContact OD1-N 3.21Å; E711-G713 VanDerWaalsContact C-N 3.32Å; G713-Y1361 WeakPolarHBondContact O-CD1 3.19Å | ||
| 714 | W | 85.2 | Confident | 90.8 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | trans | -75.5 | 145.7 | -179.1 | -62.6 | -31.8 | 0 | 0 | 0 | 109.8 | D470 L472 Y709 D710 R712 T716 Y733 D734 Y1361 | D470-W714 HydrophobicContact CB-CZ2 4.28Å; L472-W714 HydrophobicContact CD1-CZ2 4.07Å; Y709-W714 VanDerWaalsContact CA-O 3.23Å; Y709-W714 WeakPolarHBondContact CA-O 3.46Å; D710-W714 PolarHBondContact N-O 2.91Å; D710-W714 VanDerWaalsContact N-O 3.08Å; D710-W714 PolarHBondContact OD1-N 3.28Å; R712-W714 HydrophobicContact CB-CD2 4.35Å; W714-T716 PolarHBondContact O-N 2.85Å; W714-Y733 HydrophobicContact CB-CD2 3.85Å; W714-Y733 HydrophobicContact CB-CE2 3.68Å; W714-Y733 HydrophobicContact CD2-CD2 4.3Å; W714-Y733 HydrophobicContact CD2-CG 4.27Å; W714-Y733 AromaticContact CE3-CD2 3.97Å; W714-Y733 HydrophobicContact CE3-CD2 3.97Å; W714-Y733 AromaticContact CE3-CG 3.95Å; W714-Y733 HydrophobicContact CE3-CG 3.95Å; W714-Y733 HydrophobicContact CG-CD2 4.31Å; W714-Y733 HydrophobicContact CG-CE2 4.47Å; W714-Y733 HydrophobicContact CZ3-CG 4.47Å; W714-D734 WeakPolarHBondContact CH2-O 3.43Å; W714-D734 WeakPolarHBondContact CZ3-O 3.45Å; W714-Y1361 AromaticContact CD1-CE1 3.32Å; W714-Y1361 AromaticContact CD1-CZ 3.56Å; W714-Y1361 HydrophobicContact CG-CE1 4.09Å; W714-Y1361 AromaticContact NE1-CE1 3.71Å; W714-Y1361 AromaticContact NE1-CZ 3.4Å; W714-Y1361 PolarHBondContact NE1-OH 2.86Å | ||
| 715 | L | 90.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 114.7 | -175.9 | -179.9 | 62.5 | 0 | 0 | 0 | 111 | W707 Y709 I718 Y731 Y733 | W707-L715 HydrophobicContact CB-CD1 4.1Å; W707-L715 HydrophobicContact CG-CD1 4.46Å; Y709-L715 HydrophobicContact CD1-CB 4.23Å; Y709-L715 HydrophobicContact CD1-CD1 4.22Å; Y709-L715 HydrophobicContact CE1-CB 4.16Å; Y709-L715 HydrophobicContact CE1-CD1 3.74Å; L715-I718 HydrophobicContact CD1-CG1 4.22Å; L715-I718 HydrophobicContact CD2-CD1 3.98Å; L715-I718 HydrophobicContact CD2-CG1 3.99Å; L715-I718 HydrophobicContact CG-CG1 4.38Å; L715-Y731 HydrophobicContact CB-CD2 4.5Å; L715-Y731 HydrophobicContact CD2-CD2 4.18Å; L715-Y731 HydrophobicContact CD2-CE2 3.65Å; L715-Y731 HydrophobicContact CG-CD2 3.96Å; L715-Y731 HydrophobicContact CG-CE2 3.91Å; L715-Y731 WeakPolarHBondContact O-CB 3.04Å; L715-Y731 WeakPolarHBondContact O-CD2 3.1Å; L715-Y733 WeakPolarHBondContact O-CE2 3.23Å; L715-Y733 PolarHBondContact O-OH 2.71Å |
| 716 | T | 92.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -43.6 | -174.2 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | R708 D710 W714 H730 Y731 | R708-T716 PolarHBondContact O-N 2.86Å; R708-T716 PolarHBondContact O-OG1 3.25Å; D710-T716 HydrophobicContact CB-CG2 3.77Å; W714-T716 PolarHBondContact O-N 2.85Å; T716-H730 WeakPolarHBondContact O-CA 3.49Å; T716-Y731 PolarHBondContact O-N 2.72Å |
| 717 | D | 93.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 151.5 | 172.3 | 78.6 | -114 | 0 | 0 | 0 | 113.4 | R708 V729 H730 | R708-D717 WeakPolarHBondContact CD-OD1 3.14Å; R708-D717 IonicContact CZ-OD1 2.75Å; R708-D717 IonicContact CZ-OD2 2.72Å; R708-D717 PolarHBondContact N-O 3.17Å; R708-D717 IonicContact NE-OD1 3.28Å; R708-D717 IonicContact NH1-OD1 2.69Å; R708-D717 PolarHBondContact NH1-OD1 3.22Å; R708-D717 IonicContact NH1-OD2 2.79Å; R708-D717 PolarHBondContact NH1-OD2 3.42Å; D717-V729 VanDerWaalsContact CA-O 3.23Å; D717-V729 WeakPolarHBondContact CA-O 3.25Å; D717-V729 WeakPolarHBondContact CB-O 3.4Å; D717-H730 WeakPolarHBondContact CB-ND1 3.28Å |
| 718 | I | 95.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.6 | 162.7 | -36.4 | 173.8 | 0 | 0 | 0 | 107.6 | E705 R706 W707 L715 A728 V729 Y731 P985 L986 | E705-I718 HydrophobicContact CB-CG2 4.39Å; R706-I718 CarbonylContact O-C 3.57Å; R706-I718 VanDerWaalsContact O-CA 3.25Å; R706-I718 WeakPolarHBondContact O-CA 3.47Å; R706-I718 WeakPolarHBondContact O-CG2 3.44Å; W707-I718 HydrophobicContact CD2-CG2 4.1Å; W707-I718 HydrophobicContact CG-CG2 4.03Å; L715-I718 HydrophobicContact CD1-CG1 4.22Å; L715-I718 HydrophobicContact CD2-CD1 3.98Å; L715-I718 HydrophobicContact CD2-CG1 3.99Å; L715-I718 HydrophobicContact CG-CG1 4.38Å; I718-A728 CarbonylContact O-C 3.46Å; I718-A728 VanDerWaalsContact O-CA 3.23Å; I718-A728 WeakPolarHBondContact O-CA 3.19Å; I718-V729 PolarHBondContact N-O 2.9Å; I718-V729 PolarHBondContact O-N 3.47Å; I718-Y731 HydrophobicContact CD1-CE2 4.21Å; I718-Y731 HydrophobicContact CG1-CE2 4.15Å; I718-P985 HydrophobicContact CB-CB 3.97Å; I718-P985 HydrophobicContact CB-CG 4.27Å; I718-P985 HydrophobicContact CG2-CB 3.42Å; I718-P985 VanDerWaalsContact CG2-CB 3.42Å; I718-P985 HydrophobicContact CG2-CG 4.09Å; I718-L986 HydrophobicContact CD1-CD2 3.49Å; I718-L986 VanDerWaalsContact CD1-CD2 3.49Å; I718-L986 HydrophobicContact CD1-CG 4.12Å |
| 719 | S | 95.1 | Very high | 91.6 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148.9 | -179.5 | 51.5 | 0 | 0 | 0 | 0 | 114 | E705 R706 V727 | E705-S719 CarbonylContact C-O 3.56Å; E705-S719 WeakPolarHBondContact CA-O 3.37Å; R706-S719 PolarHBondContact N-O 3.12Å; R706-S719 PolarHBondContact O-N 2.93Å; S719-V727 WeakPolarHBondContact CA-O 3.4Å |
| 720 | H | 94.1 | Very high | 92 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | -179.5 | 176.1 | 81.4 | 152.1 | 0 | 0 | 0 | 112.1 | A704 E705 V727 R963 Y983 D984 P985 | A704-H720 WeakPolarHBondContact O-CB 3.45Å; E705-H720 HydrophobicContact CG-CB 4.27Å; H720-V727 PolarHBondContact N-O 3.09Å; H720-V727 PolarHBondContact O-N 3.1Å; H720-R963 PolarHBondContact CE1-NH1 3.47Å; H720-R963 VanDerWaalsContact CE1-NH1 3.32Å; H720-Y983 PolarHBondContact CE1-O 3.48Å; H720-Y983 PolarHBondContact NE2-O 3.12Å; H720-D984 PolarHBondContact CE1-O 2.84Å; H720-D984 VanDerWaalsContact NE2-C 3.28Å; H720-P985 HydrophobicContact CB-CB 4.49Å; H720-P985 HydrophobicContact CB-CG 4.14Å |
| 721 | I | 92.5 | Very high | 92.2 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 54% | 0.538 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.4 | 172.8 | -56 | -59.6 | 0 | 0 | 0 | 110.3 | H725 R726 | I721-H725 CarbonylContact C-O 3.53Å; I721-H725 WeakPolarHBondContact CA-O 3.37Å; I721-R726 HydrophobicContact CD1-CB 3.99Å; I721-R726 HydrophobicContact CD1-CG 4.41Å |
| 722 | S | 92.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.1 | 178.8 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | G724 H725 Y983 | S722-G724 PolarHBondContact O-N 3.13Å; S722-G724 VanDerWaalsContact O-N 3.1Å; S722-H725 PolarHBondContact N-O 3.12Å; S722-H725 WeakPolarHBondContact O-CB 3.42Å; S722-H725 PolarHBondContact O-N 3.07Å; S722-H725 PolarHBondContact O-ND1 3.01Å; S722-Y983 WeakPolarHBondContact CB-O 3.3Å; S722-Y983 PolarHBondContact OG-N 3.37Å; S722-Y983 VanDerWaalsContact OG-N 3.09Å; S722-Y983 PolarHBondContact OG-O 2.89Å |
| 723 | E | 91 | Very high | 92.6 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 35% | 0.35 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.4 | 44.3 | -170.7 | -67.2 | -81.9 | 93.1 | 0 | 0 | 112.1 | H725 V965 R980 L982 | E723-H725 VanDerWaalsContact C-N 3.31Å; E723-H725 PolarHBondContact O-CE1 3.19Å; E723-H725 PolarHBondContact O-N 3.44Å; E723-H725 PolarHBondContact O-ND1 3.36Å; E723-V965 HydrophobicContact CG-CB 4.43Å; E723-R980 IonicContact OE2-CZ 3.74Å; E723-R980 IonicContact OE2-NH1 2.8Å; E723-R980 PolarHBondContact OE2-NH1 2.89Å; E723-L982 HydrophobicContact CB-CD2 3.65Å; E723-L982 HydrophobicContact CG-CD2 4.14Å |
| 724 | G | 90.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 42% | 0.423 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -13 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | S722 P749 | S722-G724 PolarHBondContact O-N 3.13Å; S722-G724 VanDerWaalsContact O-N 3.1Å; G724-P749 WeakPolarHBondContact O-CB 3.47Å |
| 725 | H | 94 | Very high | 92.6 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 134.8 | 179.8 | -57.7 | 68.8 | 0 | 0 | 0 | 110.1 | I721 S722 E723 V727 V746 H747 L982 | I721-H725 CarbonylContact C-O 3.53Å; I721-H725 WeakPolarHBondContact CA-O 3.37Å; S722-H725 PolarHBondContact N-O 3.12Å; S722-H725 WeakPolarHBondContact O-CB 3.42Å; S722-H725 PolarHBondContact O-N 3.07Å; S722-H725 PolarHBondContact O-ND1 3.01Å; E723-H725 VanDerWaalsContact C-N 3.31Å; E723-H725 PolarHBondContact O-CE1 3.19Å; E723-H725 PolarHBondContact O-N 3.44Å; E723-H725 PolarHBondContact O-ND1 3.36Å; H725-V727 HydrophobicContact CB-CG2 4.43Å; H725-V727 PolarHBondContact O-N 3.33Å; H725-V746 HydrophobicContact CB-CG1 4.05Å; H725-H747 WeakPolarHBondContact CB-O 3.28Å; H725-L982 HydrophobicContact CB-CD1 4.34Å |
| 726 | R | 94.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 44 Ų | 44 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125 | 165.7 | -176.8 | 179.2 | 62.4 | -95.9 | -4.7 | 108.6 | I721 V746 H747 E752 | I721-R726 HydrophobicContact CD1-CB 3.99Å; I721-R726 HydrophobicContact CD1-CG 4.41Å; R726-V746 WeakPolarHBondContact O-CA 3.38Å; R726-H747 HydrophobicContact CB-CB 4.48Å; R726-H747 PolarHBondContact NH2-CD2 2.69Å; R726-H747 VanDerWaalsContact NH2-CD2 3.31Å; R726-H747 PolarHBondContact NH2-ND1 2.74Å; R726-H747 PolarHBondContact O-N 2.77Å; R726-E752 IonicContact CZ-OE1 3.5Å; R726-E752 IonicContact CZ-OE2 2.71Å; R726-E752 IonicContact NH1-OE1 2.67Å; R726-E752 PolarHBondContact NH1-OE1 3.25Å; R726-E752 IonicContact NH1-OE2 3.16Å; R726-E752 PolarHBondContact NH1-OE2 3.11Å; R726-E752 IonicContact NH2-OE2 2.81Å; R726-E752 PolarHBondContact NH2-OE2 3.24Å |
| 727 | V | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.2 | 174.8 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | S719 H720 H725 T745 V746 D984 V990 | S719-V727 WeakPolarHBondContact CA-O 3.4Å; H720-V727 PolarHBondContact N-O 3.09Å; H720-V727 PolarHBondContact O-N 3.1Å; H725-V727 HydrophobicContact CB-CG2 4.43Å; H725-V727 PolarHBondContact O-N 3.33Å; V727-T745 WeakPolarHBondContact CA-O 3.16Å; V727-T745 WeakPolarHBondContact CG1-O 3.42Å; V727-V746 HydrophobicContact CG1-CG2 4.1Å; V727-V746 HydrophobicContact CG2-CG1 4.26Å; V727-V746 HydrophobicContact CG2-CG2 4.18Å; V727-D984 HydrophobicContact CG1-CB 3.61Å; V727-V990 HydrophobicContact CG1-CG2 4.04Å; V727-V990 HydrophobicContact CG2-CG2 4.5Å |
| 728 | A | 96.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I718 Q744 T745 | I718-A728 CarbonylContact O-C 3.46Å; I718-A728 VanDerWaalsContact O-CA 3.23Å; I718-A728 WeakPolarHBondContact O-CA 3.19Å; A728-Q744 CarbonylContact O-C 3.55Å; A728-Q744 WeakPolarHBondContact O-CA 3.4Å; A728-T745 PolarHBondContact N-O 2.85Å; A728-T745 VanDerWaalsContact N-O 3.09Å; A728-T745 PolarHBondContact O-N 3.23Å |
| 729 | V | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.5 | 169.6 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | D717 I718 Y731 E742 R743 Q744 D984 L986 R988 | D717-V729 VanDerWaalsContact CA-O 3.23Å; D717-V729 WeakPolarHBondContact CA-O 3.25Å; D717-V729 WeakPolarHBondContact CB-O 3.4Å; I718-V729 PolarHBondContact N-O 2.9Å; I718-V729 PolarHBondContact O-N 3.47Å; V729-Y731 HydrophobicContact CG1-CE1 4.08Å; V729-Y731 HydrophobicContact CG1-CE2 4.29Å; V729-E742 HydrophobicContact CG1-CG 3.78Å; V729-R743 CarbonylContact C-O 3.48Å; V729-R743 WeakPolarHBondContact CA-O 3.36Å; V729-Q744 HydrophobicContact CG2-CG 4.43Å; V729-D984 HydrophobicContact CG2-CB 3.98Å; V729-D984 WeakPolarHBondContact CG2-OD2 3.35Å; V729-L986 HydrophobicContact CG2-CD1 4.38Å; V729-R988 VanDerWaalsContact CG2-NH2 3.35Å |
| 730 | H | 96.8 | Very high | 89.8 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.2 | 177.9 | -52.5 | -84.9 | 0 | 0 | 0 | 110.1 | T716 D717 E742 R743 | T716-H730 WeakPolarHBondContact O-CA 3.49Å; D717-H730 WeakPolarHBondContact CB-ND1 3.28Å; H730-E742 CarbonylContact O-C 3.55Å; H730-E742 WeakPolarHBondContact O-CA 3.21Å; H730-R743 HydrophobicContact CB-CB 4.44Å; H730-R743 PolarHBondContact CD2-O 3.38Å; H730-R743 PolarHBondContact N-O 3.1Å; H730-R743 PolarHBondContact O-N 2.96Å |
| 731 | Y | 93.4 | Very high | 89.6 | Confident | 39 Ų | 39 | 46 Ų | 46 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 158.1 | 176.2 | -52.9 | -80 | 0 | 0 | 0 | 110.9 | L715 T716 I718 V729 L739 G741 E742 L986 | L715-Y731 HydrophobicContact CB-CD2 4.5Å; L715-Y731 HydrophobicContact CD2-CD2 4.18Å; L715-Y731 HydrophobicContact CD2-CE2 3.65Å; L715-Y731 HydrophobicContact CG-CD2 3.96Å; L715-Y731 HydrophobicContact CG-CE2 3.91Å; L715-Y731 WeakPolarHBondContact O-CB 3.04Å; L715-Y731 WeakPolarHBondContact O-CD2 3.1Å; T716-Y731 PolarHBondContact O-N 2.72Å; I718-Y731 HydrophobicContact CD1-CE2 4.21Å; I718-Y731 HydrophobicContact CG1-CE2 4.15Å; V729-Y731 HydrophobicContact CG1-CE1 4.08Å; V729-Y731 HydrophobicContact CG1-CE2 4.29Å; Y731-L739 HydrophobicContact CD1-CD1 3.87Å; Y731-L739 HydrophobicContact CG-CD1 4.33Å; Y731-G741 WeakPolarHBondContact CA-O 3.23Å; Y731-E742 HydrophobicContact CD1-CG 3.96Å; Y731-E742 HydrophobicContact CE1-CG 3.83Å; Y731-L986 WeakPolarHBondContact OH-CD1 3.5Å |
| 732 | R | 91.6 | Very high | 89.7 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 37% | 0.366 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146.9 | 169.5 | -63.6 | -177.8 | -56.3 | -125.4 | -14.6 | 109.2 | L739 T740 G741 E759 | R732-L739 CarbonylContact O-C 3.59Å; R732-L739 WeakPolarHBondContact O-CD1 3.37Å; R732-T740 WeakPolarHBondContact CB-OG1 3.38Å; R732-T740 PolarHBondContact O-N 2.69Å; R732-T740 PolarHBondContact O-OG1 3.26Å; R732-G741 PolarHBondContact N-O 3.41Å; R732-G741 PolarHBondContact O-N 2.97Å; R732-E759 IonicContact CZ-OE1 2.72Å; R732-E759 IonicContact NH1-OE1 2.82Å; R732-E759 PolarHBondContact NH1-OE1 3.43Å; R732-E759 IonicContact NH2-OE1 3.19Å; R732-E759 PolarHBondContact NH2-OE1 3.09Å |
| 733 | Y | 87.8 | Confident | 89.9 | Confident | 54 Ų | 54 | 45 Ų | 45 | 21% | 0.212 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 157.7 | 178.9 | -53.8 | -92.6 | 0 | 0 | 0 | 110.1 | W714 L715 R738 L739 | W714-Y733 HydrophobicContact CB-CD2 3.85Å; W714-Y733 HydrophobicContact CB-CE2 3.68Å; W714-Y733 HydrophobicContact CD2-CD2 4.3Å; W714-Y733 HydrophobicContact CD2-CG 4.27Å; W714-Y733 AromaticContact CE3-CD2 3.97Å; W714-Y733 HydrophobicContact CE3-CD2 3.97Å; W714-Y733 AromaticContact CE3-CG 3.95Å; W714-Y733 HydrophobicContact CE3-CG 3.95Å; W714-Y733 HydrophobicContact CG-CD2 4.31Å; W714-Y733 HydrophobicContact CG-CE2 4.47Å; W714-Y733 HydrophobicContact CZ3-CG 4.47Å; L715-Y733 WeakPolarHBondContact O-CE2 3.23Å; L715-Y733 PolarHBondContact O-OH 2.71Å; Y733-R738 CarbonylContact C-O 3.59Å; Y733-R738 WeakPolarHBondContact CA-O 3.29Å; Y733-L739 HydrophobicContact CD1-CB 4.47Å; Y733-L739 HydrophobicContact CD1-CD1 4.35Å; Y733-L739 HydrophobicContact CE1-CB 4.46Å; Y733-L739 HydrophobicContact CE1-CD1 3.95Å |
| 734 | D | 84.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | trans | -83.7 | 177.3 | 166.4 | 66.1 | 7.7 | 0 | 0 | 0 | 111.2 | W714 K736 G737 R738 T740 | W714-D734 WeakPolarHBondContact CH2-O 3.43Å; W714-D734 WeakPolarHBondContact CZ3-O 3.45Å; D734-K736 PolarHBondContact O-N 3.17Å; D734-K736 VanDerWaalsContact OD1-C 3.24Å; D734-K736 WeakPolarHBondContact OD1-CA 3.39Å; D734-K736 WeakPolarHBondContact OD1-CB 3.19Å; D734-K736 PolarHBondContact OD1-N 2.93Å; D734-G737 WeakPolarHBondContact O-CA 3.28Å; D734-G737 PolarHBondContact O-N 3.25Å; D734-G737 PolarHBondContact OD1-N 3.47Å; D734-R738 PolarHBondContact N-O 2.86Å; D734-R738 WeakPolarHBondContact OD1-CB 3.17Å; D734-R738 PolarHBondContact OD1-N 2.91Å; D734-R738 IonicContact OD1-NE 2.68Å; D734-R738 IonicContact OD2-CZ 2.63Å; D734-R738 VanDerWaalsContact OD2-CZ 3.24Å; D734-R738 IonicContact OD2-NE 3.9Å; D734-R738 PolarHBondContact OD2-NE 3.35Å; D734-R738 IonicContact OD2-NH2 2.69Å; D734-R738 PolarHBondContact OD2-NH2 2.73Å; D734-T740 HydrophobicContact CB-CG2 3.68Å | ||
| 735 | E | 84.8 | Confident | 90.5 | Very high | 169 Ų | 169 | 40 Ų | 40 | 79% | 0.79 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24 | 179.1 | -65 | -178.9 | 167.1 | 0 | 0 | 113 | L472 R712 G737 | L472-E735 WeakPolarHBondContact CD2-O 3.47Å; R712-E735 PolarHBondContact NH1-O 3.01Å; E735-G737 VanDerWaalsContact C-N 3.26Å |
| 736 | K | 80.2 | Confident | 90.6 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 33% | 0.326 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.9 | 172.4 | -67.1 | 170.4 | 160 | -139.2 | 0 | 112.8 | L472 D491 D734 R738 R1360 | L472-K736 WeakPolarHBondContact CD1-O 3.32Å; D491-K736 HydrophobicContact CB-CB 4.2Å; D491-K736 WeakPolarHBondContact O-CD 3.26Å; D491-K736 WeakPolarHBondContact O-CE 3.19Å; D491-K736 WeakPolarHBondContact O-CG 3.21Å; D491-K736 PolarHBondContact O-NZ 3.44Å; D734-K736 PolarHBondContact O-N 3.17Å; D734-K736 VanDerWaalsContact OD1-C 3.24Å; D734-K736 WeakPolarHBondContact OD1-CA 3.39Å; D734-K736 WeakPolarHBondContact OD1-CB 3.19Å; D734-K736 PolarHBondContact OD1-N 2.93Å; K736-R738 VanDerWaalsContact C-N 3.3Å; K736-R738 HydrophobicContact CB-CG 4.31Å; K736-R738 PolarHBondContact O-N 3.31Å; K736-R1360 PolarHBondContact O-NH1 3.35Å |
| 737 | G | 77.9 | Confident | 90.7 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | trans | 65 | 23.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D734 E735 R1360 | D734-G737 WeakPolarHBondContact O-CA 3.28Å; D734-G737 PolarHBondContact O-N 3.25Å; D734-G737 PolarHBondContact OD1-N 3.47Å; E735-G737 VanDerWaalsContact C-N 3.26Å; G737-R1360 PolarHBondContact O-NH1 2.86Å | ||
| 738 | R | 78.2 | Confident | 90.6 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | trans | -88.6 | 141.3 | 173.8 | -53.8 | 176.3 | -65 | 179.4 | 9 | 109.3 | D491 Y733 D734 K736 T740 Y764 | D491-R738 HydrophobicContact CB-CG 4.15Å; Y733-R738 CarbonylContact C-O 3.59Å; Y733-R738 WeakPolarHBondContact CA-O 3.29Å; D734-R738 PolarHBondContact N-O 2.86Å; D734-R738 WeakPolarHBondContact OD1-CB 3.17Å; D734-R738 PolarHBondContact OD1-N 2.91Å; D734-R738 IonicContact OD1-NE 2.68Å; D734-R738 IonicContact OD2-CZ 2.63Å; D734-R738 VanDerWaalsContact OD2-CZ 3.24Å; D734-R738 IonicContact OD2-NE 3.9Å; D734-R738 PolarHBondContact OD2-NE 3.35Å; D734-R738 IonicContact OD2-NH2 2.69Å; D734-R738 PolarHBondContact OD2-NH2 2.73Å; K736-R738 VanDerWaalsContact C-N 3.3Å; K736-R738 HydrophobicContact CB-CG 4.31Å; K736-R738 PolarHBondContact O-N 3.31Å; R738-T740 PolarHBondContact O-N 3.19Å; R738-Y764 HydrophobicContact CB-CD2 4.18Å; R738-Y764 HydrophobicContact CB-CE1 4.23Å; R738-Y764 HydrophobicContact CB-CE2 3.52Å | ||
| 739 | L | 83.9 | Confident | 90.2 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 117.7 | -176.8 | -174.3 | 74 | 0 | 0 | 0 | 110.8 | Y731 R732 Y733 H762 Y764 | Y731-L739 HydrophobicContact CD1-CD1 3.87Å; Y731-L739 HydrophobicContact CG-CD1 4.33Å; R732-L739 CarbonylContact O-C 3.59Å; R732-L739 WeakPolarHBondContact O-CD1 3.37Å; Y733-L739 HydrophobicContact CD1-CB 4.47Å; Y733-L739 HydrophobicContact CD1-CD1 4.35Å; Y733-L739 HydrophobicContact CE1-CB 4.46Å; Y733-L739 HydrophobicContact CE1-CD1 3.95Å; L739-H762 WeakPolarHBondContact O-CB 3.39Å; L739-Y764 PolarHBondContact N-OH 3.25Å; L739-Y764 WeakPolarHBondContact O-CE2 3.48Å; L739-Y764 PolarHBondContact O-OH 2.98Å |
| 740 | T | 89.2 | Confident | 89.9 | Confident | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -8.2 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | R732 D734 R738 R761 H762 | R732-T740 WeakPolarHBondContact CB-OG1 3.38Å; R732-T740 PolarHBondContact O-N 2.69Å; R732-T740 PolarHBondContact O-OG1 3.26Å; D734-T740 HydrophobicContact CB-CG2 3.68Å; R738-T740 PolarHBondContact O-N 3.19Å; T740-R761 WeakPolarHBondContact O-CA 3.22Å; T740-H762 PolarHBondContact O-N 2.75Å |
| 741 | G | 88 | Confident | 89.7 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | 163.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y731 R732 T760 | Y731-G741 WeakPolarHBondContact CA-O 3.23Å; R732-G741 PolarHBondContact N-O 3.41Å; R732-G741 PolarHBondContact O-N 2.97Å; G741-T760 CarbonylContact C-O 3.5Å; G741-T760 WeakPolarHBondContact CA-O 3.4Å |
| 742 | E | 94.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.4 | 179.6 | -159.6 | -149.6 | 118.9 | 0 | 0 | 109 | V729 H730 Y731 E759 T760 R988 G1020 | V729-E742 HydrophobicContact CG1-CG 3.78Å; H730-E742 CarbonylContact O-C 3.55Å; H730-E742 WeakPolarHBondContact O-CA 3.21Å; Y731-E742 HydrophobicContact CD1-CG 3.96Å; Y731-E742 HydrophobicContact CE1-CG 3.83Å; E742-E759 WeakPolarHBondContact O-CA 3.34Å; E742-T760 PolarHBondContact N-O 3.49Å; E742-T760 PolarHBondContact O-N 3.27Å; E742-R988 IonicContact OE1-CZ 3.97Å; E742-R988 IonicContact OE1-NH1 3.65Å; E742-R988 PolarHBondContact OE1-NH1 2.65Å; E742-R988 IonicContact OE1-NH2 2.91Å; E742-R988 PolarHBondContact OE1-NH2 3.5Å; E742-R988 IonicContact OE2-CZ 2.76Å; E742-R988 IonicContact OE2-NH1 3.43Å; E742-R988 PolarHBondContact OE2-NH1 3.04Å; E742-G1020 PolarHBondContact OE2-N 3.13Å |
| 743 | R | 96.4 | Very high | 89.6 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 31% | 0.306 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.6 | 179.6 | -175.1 | -175.3 | 66.8 | -172.3 | -0.8 | 111.8 | V729 H730 Q757 H758 E759 | V729-R743 CarbonylContact C-O 3.48Å; V729-R743 WeakPolarHBondContact CA-O 3.36Å; H730-R743 HydrophobicContact CB-CB 4.44Å; H730-R743 PolarHBondContact CD2-O 3.38Å; H730-R743 PolarHBondContact N-O 3.1Å; H730-R743 PolarHBondContact O-N 2.96Å; R743-Q757 HydrophobicContact CG-CG 4.11Å; R743-H758 CarbonylContact C-O 3.57Å; R743-H758 VanDerWaalsContact CA-O 3.3Å; R743-H758 WeakPolarHBondContact CA-O 3.14Å; R743-H758 WeakPolarHBondContact CG-O 3.31Å; R743-E759 HydrophobicContact CB-CB 4.33Å; R743-E759 HydrophobicContact CB-CG 4.09Å; R743-E759 HydrophobicContact CG-CB 4.1Å; R743-E759 HydrophobicContact CG-CG 4.27Å |
| 744 | Q | 96.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.2 | 174 | -61 | 177 | -61.4 | 0 | 0 | 110.5 | A728 V729 Q757 H758 D984 R988 | A728-Q744 CarbonylContact O-C 3.55Å; A728-Q744 WeakPolarHBondContact O-CA 3.4Å; V729-Q744 HydrophobicContact CG2-CG 4.43Å; Q744-Q757 WeakPolarHBondContact O-CA 3.28Å; Q744-H758 PolarHBondContact N-O 3.42Å; Q744-H758 PolarHBondContact O-N 2.99Å; Q744-H758 VanDerWaalsContact O-N 3.1Å; Q744-D984 PolarHBondContact NE2-OD2 3.22Å; Q744-R988 VanDerWaalsContact NE2-NH2 3.15Å |
| 745 | T | 97.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.5 | 174.7 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | V727 A728 L754 W756 Q757 | V727-T745 WeakPolarHBondContact CA-O 3.16Å; V727-T745 WeakPolarHBondContact CG1-O 3.42Å; A728-T745 PolarHBondContact N-O 2.85Å; A728-T745 VanDerWaalsContact N-O 3.09Å; A728-T745 PolarHBondContact O-N 3.23Å; T745-L754 HydrophobicContact CG2-CD1 4.29Å; T745-W756 WeakPolarHBondContact CA-O 3.3Å; T745-Q757 HydrophobicContact CG2-CG 4.42Å |
| 746 | V | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.5 | 173.1 | -177 | 0 | 0 | 0 | 0 | 109.7 | H725 R726 V727 L755 W756 L982 V990 W1015 | H725-V746 HydrophobicContact CB-CG1 4.05Å; R726-V746 WeakPolarHBondContact O-CA 3.38Å; V727-V746 HydrophobicContact CG1-CG2 4.1Å; V727-V746 HydrophobicContact CG2-CG1 4.26Å; V727-V746 HydrophobicContact CG2-CG2 4.18Å; V746-L755 PolarHBondContact O-N 2.91Å; V746-W756 HydrophobicContact CB-CB 4.09Å; V746-W756 HydrophobicContact CG2-CB 4.17Å; V746-W756 PolarHBondContact N-O 3.34Å; V746-W756 PolarHBondContact O-N 3.28Å; V746-L982 HydrophobicContact CG1-CD1 4.14Å; V746-V990 HydrophobicContact CG2-CB 4.39Å; V746-V990 HydrophobicContact CG2-CG2 3.93Å; V746-W1015 HydrophobicContact CB-CH2 4.45Å; V746-W1015 HydrophobicContact CB-CZ3 4.07Å; V746-W1015 HydrophobicContact CG1-CH2 4.16Å; V746-W1015 HydrophobicContact CG1-CZ3 4.02Å; V746-W1015 HydrophobicContact CG2-CZ3 4.04Å |
| 747 | H | 97 | Very high | 91.6 | Very high | 37 Ų | 37 | 48 Ų | 48 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 150 | 179.5 | -68.8 | -104 | 0 | 0 | 0 | 113 | H725 R726 E752 A753 | H725-H747 WeakPolarHBondContact CB-O 3.28Å; R726-H747 HydrophobicContact CB-CB 4.48Å; R726-H747 PolarHBondContact NH2-CD2 2.69Å; R726-H747 VanDerWaalsContact NH2-CD2 3.31Å; R726-H747 PolarHBondContact NH2-ND1 2.74Å; R726-H747 PolarHBondContact O-N 2.77Å; H747-E752 PolarHBondContact ND1-O 2.75Å; H747-E752 IonicContact ND1-OE2 3.97Å; H747-A753 WeakPolarHBondContact CA-O 3.36Å |
| 748 | H | 92.8 | Very high | 92.5 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | trans | -73.2 | 129.8 | -179.6 | -175.4 | -96.5 | 0 | 0 | 0 | 112.5 | Q750 T751 E752 A753 L755 | H748-Q750 VanDerWaalsContact C-N 3.32Å; H748-Q750 PolarHBondContact CE1-OE1 2.97Å; H748-Q750 PolarHBondContact O-N 2.95Å; H748-Q750 VanDerWaalsContact O-N 3.07Å; H748-T751 WeakPolarHBondContact CB-OG1 3.32Å; H748-T751 PolarHBondContact ND1-N 3.29Å; H748-T751 PolarHBondContact ND1-OG1 3.13Å; H748-T751 PolarHBondContact O-N 2.87Å; H748-E752 PolarHBondContact O-N 2.91Å; H748-A753 HydrophobicContact CB-CB 4.35Å; H748-A753 PolarHBondContact N-O 2.66Å; H748-L755 HydrophobicContact CB-CD1 3.94Å; H748-L755 HydrophobicContact CB-CD2 4.04Å; H748-L755 HydrophobicContact CB-CG 3.95Å | ||
| 749 | P | 89.8 | Confident | 93.3 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -37 | -170.5 | 6.5 | -23.6 | 0 | 0 | 0 | 116.9 | G724 | G724-P749 WeakPolarHBondContact O-CB 3.47Š|
| 750 | Q | 89.2 | Confident | 93.8 | Very high | 150 Ų | 150 | 45.2 Ų | 45.2 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -12.3 | -175.7 | -55.8 | 87.4 | 8.8 | 0 | 0 | 115.1 | H748 | H748-Q750 VanDerWaalsContact C-N 3.32Å; H748-Q750 PolarHBondContact CE1-OE1 2.97Å; H748-Q750 PolarHBondContact O-N 2.95Å; H748-Q750 VanDerWaalsContact O-N 3.07Å |
| 751 | T | 92.9 | Very high | 94 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 56% | 0.564 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -5.8 | -171.6 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | H748 A753 | H748-T751 WeakPolarHBondContact CB-OG1 3.32Å; H748-T751 PolarHBondContact ND1-N 3.29Å; H748-T751 PolarHBondContact ND1-OG1 3.13Å; H748-T751 PolarHBondContact O-N 2.87Å; T751-A753 PolarHBondContact O-N 3.01Å |
| 752 | E | 89.4 | Confident | 94 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | trans | 59.6 | 5.1 | -179 | -68.5 | -65.2 | 172.3 | 0 | 0 | 115.7 | R726 H747 H748 L754 | R726-E752 IonicContact CZ-OE1 3.5Å; R726-E752 IonicContact CZ-OE2 2.71Å; R726-E752 IonicContact NH1-OE1 2.67Å; R726-E752 PolarHBondContact NH1-OE1 3.25Å; R726-E752 IonicContact NH1-OE2 3.16Å; R726-E752 PolarHBondContact NH1-OE2 3.11Å; R726-E752 IonicContact NH2-OE2 2.81Å; R726-E752 PolarHBondContact NH2-OE2 3.24Å; H747-E752 PolarHBondContact ND1-O 2.75Å; H747-E752 IonicContact ND1-OE2 3.97Å; H748-E752 PolarHBondContact O-N 2.91Å; E752-L754 PolarHBondContact O-N 2.95Å | ||
| 753 | A | 92.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | trans | -61.6 | 131.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H747 H748 T751 L755 | H747-A753 WeakPolarHBondContact CA-O 3.36Å; H748-A753 HydrophobicContact CB-CB 4.35Å; H748-A753 PolarHBondContact N-O 2.66Å; T751-A753 PolarHBondContact O-N 3.01Å; A753-L755 PolarHBondContact O-N 3.03Å | ||
| 754 | L | 94.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 45% | 0.45 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 116 | 173.8 | -175.7 | 67.1 | 0 | 0 | 0 | 109.2 | T745 E752 W756 Q757 | T745-L754 HydrophobicContact CG2-CD1 4.29Å; E752-L754 PolarHBondContact O-N 2.95Å; L754-W756 VanDerWaalsContact CD1-O 3.3Å; L754-W756 WeakPolarHBondContact CD1-O 3.46Å; L754-Q757 HydrophobicContact CD2-CB 4.19Å |
| 755 | L | 94.6 | Very high | 91.2 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -31.9 | -179.6 | -62.9 | -178.9 | 0 | 0 | 0 | 112.5 | V746 H748 A753 W1015 | V746-L755 PolarHBondContact O-N 2.91Å; H748-L755 HydrophobicContact CB-CD1 3.94Å; H748-L755 HydrophobicContact CB-CD2 4.04Å; H748-L755 HydrophobicContact CB-CG 3.95Å; A753-L755 PolarHBondContact O-N 3.03Å; L755-W1015 HydrophobicContact CB-CH2 3.72Å; L755-W1015 HydrophobicContact CB-CZ2 3.85Å; L755-W1015 HydrophobicContact CD1-CH2 4.4Å |
| 756 | W | 95.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 141.3 | 179.1 | 176.2 | -118.1 | 0 | 0 | 0 | 110.5 | T745 V746 L754 H758 W1015 Y1016 T1025 Q1027 | T745-W756 WeakPolarHBondContact CA-O 3.3Å; V746-W756 HydrophobicContact CB-CB 4.09Å; V746-W756 HydrophobicContact CG2-CB 4.17Å; V746-W756 PolarHBondContact N-O 3.34Å; V746-W756 PolarHBondContact O-N 3.28Å; L754-W756 VanDerWaalsContact CD1-O 3.3Å; L754-W756 WeakPolarHBondContact CD1-O 3.46Å; W756-H758 HydrophobicContact CZ2-CB 3.9Å; W756-W1015 HydrophobicContact CB-CD2 3.64Å; W756-W1015 HydrophobicContact CB-CE3 3.35Å; W756-W1015 HydrophobicContact CB-CG 4.33Å; W756-W1015 HydrophobicContact CB-CH2 3.94Å; W756-W1015 HydrophobicContact CB-CZ2 4.18Å; W756-W1015 HydrophobicContact CB-CZ3 3.51Å; W756-W1015 AromaticContact CD1-CE3 3.91Å; W756-W1015 HydrophobicContact CD2-CB 3.54Å; W756-W1015 AromaticContact CD2-CD2 4Å; W756-W1015 HydrophobicContact CD2-CD2 4Å; W756-W1015 HydrophobicContact CD2-CE3 4.14Å; W756-W1015 AromaticContact CD2-CG 3.77Å; W756-W1015 HydrophobicContact CD2-CG 3.77Å; W756-W1015 HydrophobicContact CE3-CB 3.48Å; W756-W1015 VanDerWaalsContact CE3-CB 3.48Å; W756-W1015 AromaticContact CE3-CD1 3.94Å; W756-W1015 HydrophobicContact CE3-CD2 4.14Å; W756-W1015 AromaticContact CE3-CG 3.58Å; W756-W1015 HydrophobicContact CE3-CG 3.58Å; W756-W1015 HydrophobicContact CG-CB 4.19Å; W756-W1015 AromaticContact CG-CD2 3.81Å; W756-W1015 HydrophobicContact CG-CD2 3.81Å; W756-W1015 AromaticContact CG-CE3 3.53Å; W756-W1015 HydrophobicContact CG-CE3 3.53Å; W756-W1015 HydrophobicContact CG-CG 4.12Å; W756-W1015 HydrophobicContact CG-CZ3 4.15Å; W756-W1015 HydrophobicContact CH2-CB 3.81Å; W756-W1015 HydrophobicContact CZ2-CB 3.86Å; W756-W1015 HydrophobicContact CZ3-CB 3.63Å; W756-W1015 HydrophobicContact CZ3-CG 4.1Å; W756-Y1016 PolarHBondContact NE1-O 2.93Å; W756-T1025 HydrophobicContact CH2-CG2 4.14Å; W756-T1025 HydrophobicContact CZ2-CG2 4.4Å; W756-Q1027 HydrophobicContact CH2-CB 3.96Å; W756-Q1027 HydrophobicContact CZ3-CB 4.05Å; W756-Q1027 HydrophobicContact CZ3-CG 4.44Å |
| 757 | Q | 95.2 | Very high | 87.8 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.1 | 165.8 | -177 | -179.2 | -70.2 | 0 | 0 | 107.9 | R743 Q744 T745 L754 | R743-Q757 HydrophobicContact CG-CG 4.11Å; Q744-Q757 WeakPolarHBondContact O-CA 3.28Å; T745-Q757 HydrophobicContact CG2-CG 4.42Å; L754-Q757 HydrophobicContact CD2-CB 4.19Å |
| 758 | H | 96 | Very high | 86.2 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.8 | 166.8 | 175.3 | 61.4 | 0 | 0 | 0 | 108.2 | R743 Q744 W756 T760 D776 G1017 W1018 T1024 T1025 | R743-H758 CarbonylContact C-O 3.57Å; R743-H758 VanDerWaalsContact CA-O 3.3Å; R743-H758 WeakPolarHBondContact CA-O 3.14Å; R743-H758 WeakPolarHBondContact CG-O 3.31Å; Q744-H758 PolarHBondContact N-O 3.42Å; Q744-H758 PolarHBondContact O-N 2.99Å; Q744-H758 VanDerWaalsContact O-N 3.1Å; W756-H758 HydrophobicContact CZ2-CB 3.9Å; H758-T760 PolarHBondContact NE2-OG1 2.87Å; H758-D776 IonicContact CE1-OD1 2.81Å; H758-D776 PolarHBondContact CE1-OD1 2.92Å; H758-D776 VanDerWaalsContact ND1-CG 3.29Å; H758-D776 IonicContact ND1-OD1 2.63Å; H758-D776 PolarHBondContact ND1-OD1 2.92Å; H758-D776 IonicContact ND1-OD2 2.78Å; H758-D776 PolarHBondContact ND1-OD2 3.09Å; H758-G1017 VanDerWaalsContact CD2-C 3.46Å; H758-G1017 WeakPolarHBondContact CD2-CA 3.47Å; H758-G1017 VanDerWaalsContact CG-CA 3.48Å; H758-W1018 PolarHBondContact CD2-N 2.99Å; H758-W1018 PolarHBondContact CD2-O 2.94Å; H758-W1018 PolarHBondContact NE2-N 3Å; H758-W1018 PolarHBondContact NE2-O 3.18Å; H758-T1024 PolarHBondContact NE2-OG1 3.18Å; H758-T1025 PolarHBondContact CE1-OG1 3.01Å; H758-T1025 VanDerWaalsContact CE1-OG1 3.3Å |
| 759 | E | 95.5 | Very high | 84.9 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 127.7 | 178.6 | -172.7 | 171.1 | 156.7 | 0 | 0 | 110.1 | R732 E742 R743 R761 D776 | R732-E759 IonicContact CZ-OE1 2.72Å; R732-E759 IonicContact NH1-OE1 2.82Å; R732-E759 PolarHBondContact NH1-OE1 3.43Å; R732-E759 IonicContact NH2-OE1 3.19Å; R732-E759 PolarHBondContact NH2-OE1 3.09Å; E742-E759 WeakPolarHBondContact O-CA 3.34Å; R743-E759 HydrophobicContact CB-CB 4.33Å; R743-E759 HydrophobicContact CB-CG 4.09Å; R743-E759 HydrophobicContact CG-CB 4.1Å; R743-E759 HydrophobicContact CG-CG 4.27Å; E759-R761 HydrophobicContact CG-CG 4.23Å; E759-D776 WeakPolarHBondContact O-CB 3.41Å; E759-D776 PolarHBondContact O-N 3.1Å |
| 760 | T | 93.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.1 | 170 | -64.5 | 0 | 0 | 0 | 0 | 108.2 | G741 E742 H758 C773 D1019 | G741-T760 CarbonylContact C-O 3.5Å; G741-T760 WeakPolarHBondContact CA-O 3.4Å; E742-T760 PolarHBondContact N-O 3.49Å; E742-T760 PolarHBondContact O-N 3.27Å; H758-T760 PolarHBondContact NE2-OG1 2.87Å; T760-C773 WeakPolarHBondContact CG2-SG 3.48Å; T760-D1019 HydrophobicContact CG2-CB 4.09Å |
| 761 | R | 93.8 | Very high | 83.2 | Confident | 123 Ų | 123 | 52.4 Ų | 52.4 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.3 | 178 | -64 | -178.8 | -68.9 | 171.1 | -2.7 | 110.7 | T740 E759 C773 I774 | T740-R761 WeakPolarHBondContact O-CA 3.22Å; E759-R761 HydrophobicContact CG-CG 4.23Å; R761-C773 CarbonylContact O-C 3.6Å; R761-C773 WeakPolarHBondContact O-CA 2.95Å; R761-I774 HydrophobicContact CB-CB 4.26Å; R761-I774 PolarHBondContact N-O 3.13Å; R761-I774 VanDerWaalsContact N-O 3.07Å; R761-I774 PolarHBondContact O-N 3.08Å |
| 762 | H | 87.5 | Confident | 82.9 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 18% | 0.181 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.5 | 179.5 | -51.7 | 83.4 | 0 | 0 | 0 | 109.1 | L739 T740 D1019 | L739-H762 WeakPolarHBondContact O-CB 3.39Å; T740-H762 PolarHBondContact O-N 2.75Å; H762-D1019 IonicContact CE1-OD1 3.72Å; H762-D1019 PolarHBondContact CE1-OD1 2.68Å; H762-D1019 IonicContact NE2-OD1 3.44Å; H762-D1019 PolarHBondContact NE2-OD1 2.89Å; H762-D1019 IonicContact NE2-OD2 3.86Å |
| 763 | A | 82.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R772 | A763-R772 HydrophobicContact CB-CB 4.12Å; A763-R772 HydrophobicContact CB-CG 4.3Å; A763-R772 PolarHBondContact N-O 2.88Å; A763-R772 PolarHBondContact O-N 3.4Å |
| 764 | Y | 76.9 | Confident | 82.9 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | trans | -103.3 | 140.7 | -178.8 | -56.8 | -89.4 | 0 | 0 | 0 | 108.9 | R738 L739 G768 L769 A770 | R738-Y764 HydrophobicContact CB-CD2 4.18Å; R738-Y764 HydrophobicContact CB-CE1 4.23Å; R738-Y764 HydrophobicContact CB-CE2 3.52Å; L739-Y764 PolarHBondContact N-OH 3.25Å; L739-Y764 WeakPolarHBondContact O-CE2 3.48Å; L739-Y764 PolarHBondContact O-OH 2.98Å; Y764-G768 VanDerWaalsContact CD1-O 3.28Å; Y764-G768 WeakPolarHBondContact CD1-O 3.32Å; Y764-L769 VanDerWaalsContact CA-O 3.29Å; Y764-L769 WeakPolarHBondContact CA-O 3.24Å; Y764-A770 HydrophobicContact CD1-CB 3.89Å; Y764-A770 HydrophobicContact CE1-CB 3.66Å | ||
| 765 | N | 69.8 | Low | 82.7 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | trans | -74.7 | -179.2 | 175.4 | 68.5 | 14.7 | 0 | 0 | 0 | 111.7 | Q767 G768 L769 | N765-Q767 VanDerWaalsContact CG-OE1 3.28Å; N765-Q767 PolarHBondContact ND2-OE1 3.08Å; N765-Q767 PolarHBondContact O-N 3.37Å; N765-Q767 VanDerWaalsContact OD1-C 3.25Å; N765-Q767 WeakPolarHBondContact OD1-CA 3.17Å; N765-Q767 WeakPolarHBondContact OD1-CB 3.41Å; N765-Q767 PolarHBondContact OD1-N 3.17Å; N765-Q767 PolarHBondContact OD1-OE1 3.13Å; N765-G768 PolarHBondContact O-N 3.4Å; N765-G768 VanDerWaalsContact O-N 3.15Å; N765-G768 PolarHBondContact OD1-N 3.19Å; N765-G768 VanDerWaalsContact OD1-N 3.15Å; N765-L769 PolarHBondContact N-O 3.44Å; N765-L769 PolarHBondContact OD1-N 3.48Å | ||
| 766 | A | 63.7 | Low | 82.6 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 85% | 0.851 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 767 | Q | 61 | Low | 82.2 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 13.7 | 178.3 | -60.6 | 80.2 | 3.5 | 0 | 0 | 112.8 | T514 N765 L769 | T514-Q767 HydrophobicContact CG2-CB 4.24Å; N765-Q767 VanDerWaalsContact CG-OE1 3.28Å; N765-Q767 PolarHBondContact ND2-OE1 3.08Å; N765-Q767 PolarHBondContact O-N 3.37Å; N765-Q767 VanDerWaalsContact OD1-C 3.25Å; N765-Q767 WeakPolarHBondContact OD1-CA 3.17Å; N765-Q767 WeakPolarHBondContact OD1-CB 3.41Å; N765-Q767 PolarHBondContact OD1-N 3.17Å; N765-Q767 PolarHBondContact OD1-OE1 3.13Å; Q767-L769 PolarHBondContact O-N 2.95Å; Q767-L769 VanDerWaalsContact O-N 3.16Å |
| 768 | G | 62.5 | Low | 81.9 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 80.4 | -15 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | D493 Y764 N765 | D493-G768 WeakPolarHBondContact OD2-CA 3.4Å; Y764-G768 VanDerWaalsContact CD1-O 3.28Å; Y764-G768 WeakPolarHBondContact CD1-O 3.32Å; N765-G768 PolarHBondContact O-N 3.4Å; N765-G768 VanDerWaalsContact O-N 3.15Å; N765-G768 PolarHBondContact OD1-N 3.19Å; N765-G768 VanDerWaalsContact OD1-N 3.15Å |
| 769 | L | 65.1 | Low | 81.6 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | trans | -68.2 | 137.3 | -175.7 | -50.8 | -174.7 | 0 | 0 | 0 | 112.5 | T514 Y764 N765 Q767 N771 H1339 | T514-L769 HydrophobicContact CG2-CD1 3.91Å; T514-L769 HydrophobicContact CG2-CD2 3.92Å; T514-L769 HydrophobicContact CG2-CG 4.04Å; Y764-L769 VanDerWaalsContact CA-O 3.29Å; Y764-L769 WeakPolarHBondContact CA-O 3.24Å; N765-L769 PolarHBondContact N-O 3.44Å; N765-L769 PolarHBondContact OD1-N 3.48Å; Q767-L769 PolarHBondContact O-N 2.95Å; Q767-L769 VanDerWaalsContact O-N 3.16Å; L769-N771 PolarHBondContact O-N 3.16Å; L769-H1339 HydrophobicContact CD1-CB 4.34Å; L769-H1339 HydrophobicContact CD2-CB 4.07Å; L769-H1339 VanDerWaalsContact CD2-O 3.26Å; L769-H1339 WeakPolarHBondContact CD2-O 3.45Å | ||
| 770 | A | 69 | Low | 81.4 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 33% | 0.331 | 24% | 0.243 | S | C | . | . | trans | -74.2 | 52.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y764 R772 | Y764-A770 HydrophobicContact CD1-CB 3.89Å; Y764-A770 HydrophobicContact CE1-CB 3.66Å; A770-R772 VanDerWaalsContact C-N 3.31Å; A770-R772 PolarHBondContact O-N 3.41Å | ||
| 771 | N | 75.9 | Confident | 81.3 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | trans | -80.5 | -7.7 | -169.6 | 78.9 | -29.8 | 0 | 0 | 0 | 114.3 | L769 E782 W783 | L769-N771 PolarHBondContact O-N 3.16Å; N771-E782 WeakPolarHBondContact O-CA 3.42Å; N771-W783 PolarHBondContact O-N 3.02Å | ||
| 772 | R | 86.8 | Confident | 81.2 | Confident | 108 Ų | 108 | 40.3 Ų | 40.3 | 41% | 0.408 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 122.1 | -172.9 | -174.5 | 176.7 | -179.4 | 169.6 | 6.7 | 112.9 | A763 A770 I774 A780 V781 | A763-R772 HydrophobicContact CB-CB 4.12Å; A763-R772 HydrophobicContact CB-CG 4.3Å; A763-R772 PolarHBondContact N-O 2.88Å; A763-R772 PolarHBondContact O-N 3.4Å; A770-R772 VanDerWaalsContact C-N 3.31Å; A770-R772 PolarHBondContact O-N 3.41Å; R772-I774 HydrophobicContact CG-CG1 4.36Å; R772-A780 HydrophobicContact CG-CB 4.06Å; R772-V781 WeakPolarHBondContact CA-O 3.31Å |
| 773 | C | 89 | Confident | 81.3 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144 | 170.9 | 173.6 | 0 | 0 | 0 | 0 | 109.3 | T760 R761 A780 V781 | T760-C773 WeakPolarHBondContact CG2-SG 3.48Å; R761-C773 CarbonylContact O-C 3.6Å; R761-C773 WeakPolarHBondContact O-CA 2.95Å; C773-A780 CarbonylContact O-C 3.51Å; C773-A780 WeakPolarHBondContact O-CA 3.38Å; C773-V781 HydrophobicContact CB-CB 4.49Å; C773-V781 PolarHBondContact N-O 2.93Å; C773-V781 PolarHBondContact O-N 2.93Å |
| 774 | I | 91.8 | Very high | 81.4 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 84.8 | 179.2 | -44.4 | 179.7 | 0 | 0 | 0 | 108.2 | R761 R772 A780 | R761-I774 HydrophobicContact CB-CB 4.26Å; R761-I774 PolarHBondContact N-O 3.13Å; R761-I774 VanDerWaalsContact N-O 3.07Å; R761-I774 PolarHBondContact O-N 3.08Å; R772-I774 HydrophobicContact CG-CG1 4.36Å; I774-A780 HydrophobicContact CD1-CB 4.47Å; I774-A780 HydrophobicContact CG1-CB 3.87Å |
| 775 | P | 91.9 | Very high | 81.4 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.4 | 171.8 | -16.5 | 31.1 | 0 | 0 | 0 | 110.7 | L778 | P775-L778 HydrophobicContact CB-CB 4.43Å; P775-L778 HydrophobicContact CB-CD1 4.36Å; P775-L778 HydrophobicContact CG-CD1 4.38Å; P775-L778 PolarHBondContact O-N 3.47Å |
| 776 | D | 90.6 | Very high | 81.5 | Confident | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 143.2 | 168.2 | 63.8 | -22.3 | 0 | 0 | 0 | 112.5 | H758 E759 L778 R1032 Q1034 | H758-D776 IonicContact CE1-OD1 2.81Å; H758-D776 PolarHBondContact CE1-OD1 2.92Å; H758-D776 VanDerWaalsContact ND1-CG 3.29Å; H758-D776 IonicContact ND1-OD1 2.63Å; H758-D776 PolarHBondContact ND1-OD1 2.92Å; H758-D776 IonicContact ND1-OD2 2.78Å; H758-D776 PolarHBondContact ND1-OD2 3.09Å; E759-D776 WeakPolarHBondContact O-CB 3.41Å; E759-D776 PolarHBondContact O-N 3.1Å; D776-L778 PolarHBondContact O-N 2.85Å; D776-L778 VanDerWaalsContact O-N 3.13Å; D776-R1032 PolarHBondContact O-NH2 2.83Å; D776-R1032 IonicContact OD1-CZ 3.53Å; D776-R1032 IonicContact OD1-NH2 3.01Å; D776-R1032 PolarHBondContact OD1-NH2 2.92Å; D776-R1032 IonicContact OD2-CZ 2.67Å; D776-R1032 IonicContact OD2-NH1 2.82Å; D776-R1032 IonicContact OD2-NH2 3.94Å; D776-R1032 PolarHBondContact OD2-NH2 3.06Å; D776-Q1034 PolarHBondContact O-NE2 3.2Å |
| 777 | S | 87.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 4 | -176 | -51.1 | 0 | 0 | 0 | 0 | 117 | R1130 | S777-R1130 PolarHBondContact O-NH2 3.22Š|
| 778 | L | 90 | Very high | 81.2 | Confident | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -118 | 157.1 | 173.1 | -68.9 | -176.1 | 0 | 0 | 0 | 113.2 | P775 D776 Q1034 V1048 | P775-L778 HydrophobicContact CB-CB 4.43Å; P775-L778 HydrophobicContact CB-CD1 4.36Å; P775-L778 HydrophobicContact CG-CD1 4.38Å; P775-L778 PolarHBondContact O-N 3.47Å; D776-L778 PolarHBondContact O-N 2.85Å; D776-L778 VanDerWaalsContact O-N 3.13Å; L778-Q1034 HydrophobicContact CD1-CB 3.8Å; L778-Q1034 HydrophobicContact CD1-CG 4.41Å; L778-V1048 HydrophobicContact CD2-CB 4.21Å; L778-V1048 HydrophobicContact CD2-CG1 3.69Å |
| 779 | P | 88.5 | Confident | 81.2 | Confident | 44 Ų | 44 | 33.5 Ų | 33.5 | 29% | 0.286 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 161.7 | 157.1 | -16.7 | 32.3 | 0 | 0 | 0 | 110.6 | V781 L796 | P779-V781 PolarHBondContact O-N 3.3Å; P779-L796 HydrophobicContact CB-CD1 4.4Å; P779-L796 HydrophobicContact CB-CG 4.42Å; P779-L796 HydrophobicContact CG-CG 4.38Å |
| 780 | A | 91 | Very high | 81.4 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 138.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R772 C773 I774 G797 | R772-A780 HydrophobicContact CG-CB 4.06Å; C773-A780 CarbonylContact O-C 3.51Å; C773-A780 WeakPolarHBondContact O-CA 3.38Å; I774-A780 HydrophobicContact CD1-CB 4.47Å; I774-A780 HydrophobicContact CG1-CB 3.87Å; A780-G797 PolarHBondContact O-N 3.06Å |
| 781 | V | 92.8 | Very high | 81.9 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120 | 165.5 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | R772 C773 P779 W783 M794 L796 I1036 | R772-V781 WeakPolarHBondContact CA-O 3.31Å; C773-V781 HydrophobicContact CB-CB 4.49Å; C773-V781 PolarHBondContact N-O 2.93Å; C773-V781 PolarHBondContact O-N 2.93Å; P779-V781 PolarHBondContact O-N 3.3Å; V781-W783 HydrophobicContact CG1-CZ2 4.33Å; V781-M794 HydrophobicContact CG1-CE 4.06Å; V781-M794 HydrophobicContact CG1-CG 4.19Å; V781-L796 HydrophobicContact CG2-CD1 3.98Å; V781-I1036 HydrophobicContact CG1-CG2 3.96Å; V781-I1036 HydrophobicContact CG2-CD1 3.58Å; V781-I1036 HydrophobicContact CG2-CG1 4.03Å; V781-I1036 HydrophobicContact CG2-CG2 4.37Å |
| 782 | E | 91.4 | Very high | 82.4 | Confident | 54 Ų | 54 | 31.8 Ų | 31.8 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.2 | 177.3 | -172.7 | -178.7 | 119.7 | 0 | 0 | 109.6 | N771 L784 M794 K795 | N771-E782 WeakPolarHBondContact O-CA 3.42Å; E782-L784 HydrophobicContact CG-CD2 4.43Å; E782-M794 WeakPolarHBondContact O-CA 3.37Å; E782-K795 HydrophobicContact CB-CB 4.49Å; E782-K795 PolarHBondContact N-O 2.97Å; E782-K795 PolarHBondContact O-N 3.28Å; E782-K795 IonicContact OE1-NZ 3.69Å; E782-K795 PolarHBondContact OE1-NZ 2.98Å |
| 783 | W | 88.1 | Confident | 82.6 | Confident | 28 Ų | 28 | 26.7 Ų | 26.7 | 11% | 0.106 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.9 | 172.3 | -63.6 | 103.1 | 0 | 0 | 0 | 109.3 | N771 V781 L791 M794 I1036 Y1037 P1039 L1045 | N771-W783 PolarHBondContact O-N 3.02Å; V781-W783 HydrophobicContact CG1-CZ2 4.33Å; W783-L791 HydrophobicContact CB-CD2 4.08Å; W783-L791 HydrophobicContact CD2-CD2 4.43Å; W783-L791 HydrophobicContact CE3-CD1 4.25Å; W783-L791 HydrophobicContact CE3-CD2 3.97Å; W783-L791 HydrophobicContact CG-CD2 4.5Å; W783-L791 HydrophobicContact CZ3-CD1 4.4Å; W783-M794 HydrophobicContact CD2-CG 4.41Å; W783-M794 HydrophobicContact CE3-CB 3.76Å; W783-M794 HydrophobicContact CE3-CG 4.05Å; W783-M794 HydrophobicContact CH2-CB 4.34Å; W783-M794 HydrophobicContact CH2-CG 4.09Å; W783-M794 HydrophobicContact CZ2-CG 4.44Å; W783-M794 HydrophobicContact CZ3-CB 3.66Å; W783-M794 HydrophobicContact CZ3-CG 3.9Å; W783-I1036 HydrophobicContact CH2-CG2 4.43Å; W783-I1036 HydrophobicContact CZ2-CG2 3.96Å; W783-Y1037 WeakPolarHBondContact CH2-O 3.45Å; W783-Y1037 WeakPolarHBondContact CZ2-O 3.22Å; W783-P1039 HydrophobicContact CD2-CG 3.59Å; W783-P1039 HydrophobicContact CE3-CG 3.83Å; W783-P1039 HydrophobicContact CG-CG 4.1Å; W783-P1039 HydrophobicContact CH2-CG 4.13Å; W783-P1039 HydrophobicContact CZ2-CG 3.9Å; W783-P1039 HydrophobicContact CZ3-CG 4.08Å; W783-L1045 HydrophobicContact CH2-CD2 3.79Å; W783-L1045 HydrophobicContact CZ3-CD2 4.01Å |
| 784 | L | 86.2 | Confident | 82.8 | Confident | 40 Ų | 40 | 25.8 Ų | 25.8 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.5 | 175.9 | -50.6 | 178.9 | 0 | 0 | 0 | 107.8 | E782 L791 A792 G793 K795 | E782-L784 HydrophobicContact CG-CD2 4.43Å; L784-L791 WeakPolarHBondContact O-CA 3.21Å; L784-A792 HydrophobicContact CB-CB 4.18Å; L784-A792 PolarHBondContact O-N 3.44Å; L784-G793 PolarHBondContact N-O 2.99Å; L784-G793 PolarHBondContact O-N 3.2Å; L784-K795 HydrophobicContact CD1-CD 4.48Å; L784-K795 HydrophobicContact CD1-CG 4.09Å; L784-K795 HydrophobicContact CD2-CD 4.01Å; L784-K795 HydrophobicContact CD2-CG 4.15Å; L784-K795 HydrophobicContact CG-CG 4.31Å |
| 785 | T | 76.7 | Confident | 82.9 | Confident | 44 Ų | 44 | 26.9 Ų | 26.9 | 27% | 0.27 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.8 | 178 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | G789 W790 L791 | T785-G789 VanDerWaalsContact CG2-O 3.23Å; T785-G789 WeakPolarHBondContact CG2-O 3.26Å; T785-W790 CarbonylContact C-O 3.58Å; T785-W790 WeakPolarHBondContact CA-O 3.24Å; T785-L791 HydrophobicContact CG2-CD2 4.09Å |
| 786 | Y | 71.5 | Confident | 82.9 | Confident | 75 Ų | 75 | 27 Ų | 27 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.8 | 167.6 | 70.7 | -90.3 | 0 | 0 | 0 | 109.9 | S788 W790 A792 H810 | Y786-S788 PolarHBondContact O-N 3.28Å; Y786-W790 HydrophobicContact CD1-CB 3.87Å; Y786-W790 VanDerWaalsContact CD1-O 3.25Å; Y786-W790 WeakPolarHBondContact CD1-O 3.44Å; Y786-W790 HydrophobicContact CD2-CB 4.1Å; Y786-W790 HydrophobicContact CE1-CB 3.45Å; Y786-W790 VanDerWaalsContact CE1-CB 3.45Å; Y786-W790 HydrophobicContact CE1-CG 4.39Å; Y786-W790 HydrophobicContact CE2-CB 3.68Å; Y786-W790 AromaticContact CE2-CD1 3.4Å; Y786-W790 VanDerWaalsContact CE2-CD1 3.4Å; Y786-W790 AromaticContact CE2-CG 3.87Å; Y786-W790 HydrophobicContact CE2-CG 3.87Å; Y786-W790 HydrophobicContact CG-CB 4.17Å; Y786-W790 AromaticContact CZ-CD1 3.77Å; Y786-W790 AromaticContact CZ-CG 3.78Å; Y786-W790 PolarHBondContact N-O 3.49Å; Y786-W790 WeakPolarHBondContact O-CB 3.42Å; Y786-W790 PolarHBondContact O-N 2.7Å; Y786-W790 VanDerWaalsContact O-N 3.14Å; Y786-A792 HydrophobicContact CD1-CB 4.16Å; Y786-H810 AromaticContact CE2-CE1 3.98Å; Y786-H810 PolarHBondContact OH-ND1 2.78Å |
| 787 | G | 65.6 | Low | 82.8 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 31% | 0.309 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -134.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S516 G789 | S516-G787 VanDerWaalsContact OG-CA 3.25Å; S516-G787 WeakPolarHBondContact OG-CA 3.36Å; S516-G787 PolarHBondContact OG-O 2.83Å; G787-G789 PolarHBondContact O-N 3.41Å |
| 788 | S | 52.8 | Low | 82.8 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 54 | -177.6 | 66.2 | 0 | 0 | 0 | 0 | 114 | S516 Y786 H1339 E1341 | S516-S788 PolarHBondContact OG-N 2.91Å; Y786-S788 PolarHBondContact O-N 3.28Å; S788-H1339 CarbonylContact C-O 3.49Å; S788-H1339 CarbonylContact O-C 3.58Å; S788-H1339 VanDerWaalsContact O-O 3.06Å; S788-E1341 WeakPolarHBondContact CB-OE2 3.28Å; S788-E1341 WeakPolarHBondContact OG-CB 3.45Å; S788-E1341 PolarHBondContact OG-OE2 3.34Å; S788-E1341 VanDerWaalsContact OG-OE2 3.09Å |
| 789 | G | 62.6 | Low | 82.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | 5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | T785 G787 L791 D1337 H1339 | T785-G789 VanDerWaalsContact CG2-O 3.23Å; T785-G789 WeakPolarHBondContact CG2-O 3.26Å; G787-G789 PolarHBondContact O-N 3.41Å; G789-L791 PolarHBondContact O-N 2.81Å; G789-D1337 CarbonylContact C-O 3.51Å; G789-H1339 WeakPolarHBondContact CA-O 3.32Å; G789-H1339 PolarHBondContact N-O 3.46Å |
| 790 | W | 68.6 | Low | 83 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 122.2 | 173.9 | -65.9 | 134.7 | 0 | 0 | 0 | 111 | T785 Y786 A792 H810 K1312 D1337 | T785-W790 CarbonylContact C-O 3.58Å; T785-W790 WeakPolarHBondContact CA-O 3.24Å; Y786-W790 HydrophobicContact CD1-CB 3.87Å; Y786-W790 VanDerWaalsContact CD1-O 3.25Å; Y786-W790 WeakPolarHBondContact CD1-O 3.44Å; Y786-W790 HydrophobicContact CD2-CB 4.1Å; Y786-W790 HydrophobicContact CE1-CB 3.45Å; Y786-W790 VanDerWaalsContact CE1-CB 3.45Å; Y786-W790 HydrophobicContact CE1-CG 4.39Å; Y786-W790 HydrophobicContact CE2-CB 3.68Å; Y786-W790 AromaticContact CE2-CD1 3.4Å; Y786-W790 VanDerWaalsContact CE2-CD1 3.4Å; Y786-W790 AromaticContact CE2-CG 3.87Å; Y786-W790 HydrophobicContact CE2-CG 3.87Å; Y786-W790 HydrophobicContact CG-CB 4.17Å; Y786-W790 AromaticContact CZ-CD1 3.77Å; Y786-W790 AromaticContact CZ-CG 3.78Å; Y786-W790 PolarHBondContact N-O 3.49Å; Y786-W790 WeakPolarHBondContact O-CB 3.42Å; Y786-W790 PolarHBondContact O-N 2.7Å; Y786-W790 VanDerWaalsContact O-N 3.14Å; W790-A792 PolarHBondContact O-N 2.72Å; W790-H810 AromaticContact CD1-CE1 3.95Å; W790-H810 AromaticContact CD1-NE2 3.82Å; W790-H810 HydrophobicContact CD2-CB 4.35Å; W790-H810 AromaticContact CE2-CD2 3.27Å; W790-H810 AromaticContact CE2-CG 3.7Å; W790-H810 AromaticContact CE2-NE2 3.76Å; W790-H810 HydrophobicContact CZ2-CB 4.13Å; W790-H810 AromaticContact CZ2-CD2 3.36Å; W790-H810 WeakPolarHBondContact CZ2-CD2 3.43Å; W790-H810 AromaticContact CZ2-CG 3.97Å; W790-H810 AromaticContact NE1-CD2 3.15Å; W790-H810 PolarHBondContact NE1-CD2 3.35Å; W790-H810 AromaticContact NE1-CE1 3.66Å; W790-H810 AromaticContact NE1-CG 3.7Å; W790-H810 AromaticContact NE1-NE2 3.09Å; W790-H810 PolarHBondContact NE1-NE2 2.98Å; W790-K1312 HydrophobicContact CE3-CD 3.82Å; W790-K1312 VanDerWaalsContact CE3-CE 3.48Å; W790-K1312 HydrophobicContact CE3-CG 4.39Å; W790-K1312 HydrophobicContact CH2-CB 3.65Å; W790-K1312 HydrophobicContact CH2-CD 3.54Å; W790-K1312 HydrophobicContact CH2-CG 3.6Å; W790-K1312 HydrophobicContact CZ2-CD 4.3Å; W790-K1312 HydrophobicContact CZ3-CB 4.03Å; W790-K1312 HydrophobicContact CZ3-CD 3.28Å; W790-K1312 HydrophobicContact CZ3-CG 3.43Å; W790-K1312 VanDerWaalsContact CZ3-CG 3.43Å; W790-D1337 VanDerWaalsContact CE3-O 3.32Å |
| 791 | L | 79.2 | Confident | 83.2 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 135 | 178.6 | -67.1 | -175.7 | 0 | 0 | 0 | 112.5 | W783 L784 T785 G789 F804 R806 P1039 D1337 | W783-L791 HydrophobicContact CB-CD2 4.08Å; W783-L791 HydrophobicContact CD2-CD2 4.43Å; W783-L791 HydrophobicContact CE3-CD1 4.25Å; W783-L791 HydrophobicContact CE3-CD2 3.97Å; W783-L791 HydrophobicContact CG-CD2 4.5Å; W783-L791 HydrophobicContact CZ3-CD1 4.4Å; L784-L791 WeakPolarHBondContact O-CA 3.21Å; T785-L791 HydrophobicContact CG2-CD2 4.09Å; G789-L791 PolarHBondContact O-N 2.81Å; L791-F804 HydrophobicContact CB-CD2 4.31Å; L791-F804 HydrophobicContact CD1-CE2 4.29Å; L791-R806 PolarHBondContact O-NH1 3.04Å; L791-P1039 HydrophobicContact CD1-CG 3.92Å; L791-P1039 HydrophobicContact CD2-CG 4.19Å; L791-D1337 WeakPolarHBondContact CD1-OD1 3.48Å; L791-D1337 WeakPolarHBondContact CG-OD1 3.34Å |
| 792 | A | 86.9 | Confident | 83.3 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -32.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L784 Y786 W790 F804 | L784-A792 HydrophobicContact CB-CB 4.18Å; L784-A792 PolarHBondContact O-N 3.44Å; Y786-A792 HydrophobicContact CD1-CB 4.16Å; W790-A792 PolarHBondContact O-N 2.72Å; A792-F804 PolarHBondContact O-N 3.22Å |
| 793 | G | 91.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.5 | -169.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L784 V802 | L784-G793 PolarHBondContact N-O 2.99Å; L784-G793 PolarHBondContact O-N 3.2Å; G793-V802 CarbonylContact C-O 3.59Å; G793-V802 WeakPolarHBondContact CA-O 3.33Å |
| 794 | M | 93.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 136.7 | -177.9 | 175 | -84.5 | -144.8 | 0 | 0 | 111.2 | V781 E782 W783 L801 V802 I1036 I1046 | V781-M794 HydrophobicContact CG1-CE 4.06Å; V781-M794 HydrophobicContact CG1-CG 4.19Å; E782-M794 WeakPolarHBondContact O-CA 3.37Å; W783-M794 HydrophobicContact CD2-CG 4.41Å; W783-M794 HydrophobicContact CE3-CB 3.76Å; W783-M794 HydrophobicContact CE3-CG 4.05Å; W783-M794 HydrophobicContact CH2-CB 4.34Å; W783-M794 HydrophobicContact CH2-CG 4.09Å; W783-M794 HydrophobicContact CZ2-CG 4.44Å; W783-M794 HydrophobicContact CZ3-CB 3.66Å; W783-M794 HydrophobicContact CZ3-CG 3.9Å; M794-L801 HydrophobicContact CE-CD1 4.44Å; M794-L801 PolarHBondContact O-N 3.17Å; M794-L801 HydrophobicContact SD-CB 4.08Å; M794-L801 HydrophobicContact SD-CD1 4.23Å; M794-V802 HydrophobicContact CB-CB 4.37Å; M794-V802 PolarHBondContact N-O 3.29Å; M794-V802 PolarHBondContact O-N 3Å; M794-I1036 HydrophobicContact CE-CB 4.22Å; M794-I1036 HydrophobicContact CE-CD1 3.47Å; M794-I1036 VanDerWaalsContact CE-CD1 3.47Å; M794-I1036 HydrophobicContact CE-CG1 4.42Å; M794-I1036 HydrophobicContact CE-CG2 3.77Å; M794-I1046 HydrophobicContact CE-CB 4.34Å; M794-I1046 HydrophobicContact CE-CG1 3.92Å |
| 795 | K | 93.6 | Very high | 83.8 | Confident | 60 Ų | 60 | 38 Ų | 38 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.3 | 172.6 | -52.7 | 176.1 | -175 | 150.3 | 0 | 111 | E782 L784 G797 T799 P800 | E782-K795 HydrophobicContact CB-CB 4.49Å; E782-K795 PolarHBondContact N-O 2.97Å; E782-K795 PolarHBondContact O-N 3.28Å; E782-K795 IonicContact OE1-NZ 3.69Å; E782-K795 PolarHBondContact OE1-NZ 2.98Å; L784-K795 HydrophobicContact CD1-CD 4.48Å; L784-K795 HydrophobicContact CD1-CG 4.09Å; L784-K795 HydrophobicContact CD2-CD 4.01Å; L784-K795 HydrophobicContact CD2-CG 4.15Å; L784-K795 HydrophobicContact CG-CG 4.31Å; K795-G797 WeakPolarHBondContact CB-O 3.49Å; K795-T799 CarbonylContact C-O 3.22Å; K795-T799 WeakPolarHBondContact CA-O 3.48Å; K795-P800 HydrophobicContact CG-CB 4.39Å; K795-P800 HydrophobicContact CG-CG 4.32Å |
| 796 | L | 92.2 | Very high | 84.4 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 103.4 | 168.5 | -177.3 | 67 | 0 | 0 | 0 | 108.6 | P779 V781 T799 L801 I1036 V1048 I1132 | P779-L796 HydrophobicContact CB-CD1 4.4Å; P779-L796 HydrophobicContact CB-CG 4.42Å; P779-L796 HydrophobicContact CG-CG 4.38Å; V781-L796 HydrophobicContact CG2-CD1 3.98Å; L796-T799 PolarHBondContact N-O 2.72Å; L796-T799 PolarHBondContact O-N 2.76Å; L796-L801 HydrophobicContact CB-CD1 3.55Å; L796-L801 HydrophobicContact CB-CG 4.17Å; L796-L801 HydrophobicContact CD2-CD1 4.02Å; L796-L801 HydrophobicContact CG-CD1 4.44Å; L796-I1036 HydrophobicContact CD1-CD1 4.19Å; L796-V1048 HydrophobicContact CD2-CG2 4.11Å; L796-I1132 HydrophobicContact CD2-CD1 4.26Å |
| 797 | G | 88.8 | Confident | 85.1 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 22% | 0.216 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -141.3 | -160 | 0 | 0 | 0 | 0 | 0 | 109.9 | A780 K795 T799 | A780-G797 PolarHBondContact O-N 3.06Å; K795-G797 WeakPolarHBondContact CB-O 3.49Å; G797-T799 PolarHBondContact O-N 2.77Å |
| 798 | D | 87.5 | Confident | 85.9 | Confident | 166 Ų | 166 | 39.7 Ų | 39.7 | 89% | 0.888 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 7.7 | 178.1 | -51.4 | -63.8 | 0 | 0 | 0 | 113.8 | P800 | D798-P800 WeakPolarHBondContact O-CD 3.46Š|
| 799 | T | 90.1 | Very high | 87 | Confident | 73 Ų | 73 | 41.1 Ų | 41.1 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110.3 | -178.3 | -56 | 0 | 0 | 0 | 0 | 111.1 | K795 L796 G797 L801 | K795-T799 CarbonylContact C-O 3.22Å; K795-T799 WeakPolarHBondContact CA-O 3.48Å; L796-T799 PolarHBondContact N-O 2.72Å; L796-T799 PolarHBondContact O-N 2.76Å; G797-T799 PolarHBondContact O-N 2.77Å; T799-L801 HydrophobicContact CG2-CD2 4.02Å |
| 800 | P | 92.8 | Very high | 87.6 | Confident | 76 Ų | 76 | 41.3 Ų | 41.3 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 136.9 | 166 | -20.4 | 32.9 | 0 | 0 | 0 | 110.8 | K795 D798 | K795-P800 HydrophobicContact CG-CB 4.39Å; K795-P800 HydrophobicContact CG-CG 4.32Å; D798-P800 WeakPolarHBondContact O-CD 3.46Å |
| 801 | L | 94.2 | Very high | 88 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | -43.7 | 178.5 | -66.8 | -174.8 | 0 | 0 | 0 | 112.6 | M794 L796 T799 F817 I1046 I1132 K1149 | M794-L801 HydrophobicContact CE-CD1 4.44Å; M794-L801 PolarHBondContact O-N 3.17Å; M794-L801 HydrophobicContact SD-CB 4.08Å; M794-L801 HydrophobicContact SD-CD1 4.23Å; L796-L801 HydrophobicContact CB-CD1 3.55Å; L796-L801 HydrophobicContact CB-CG 4.17Å; L796-L801 HydrophobicContact CD2-CD1 4.02Å; L796-L801 HydrophobicContact CG-CD1 4.44Å; T799-L801 HydrophobicContact CG2-CD2 4.02Å; L801-F817 HydrophobicContact CB-CD2 4.41Å; L801-F817 HydrophobicContact CB-CE2 4.39Å; L801-F817 WeakPolarHBondContact O-CA 3.22Å; L801-F817 WeakPolarHBondContact O-CD2 3.34Å; L801-I1046 HydrophobicContact CD1-CG2 4.45Å; L801-I1132 HydrophobicContact CD1-CG2 4.31Å; L801-K1149 VanDerWaalsContact CD2-NZ 3.32Å |
| 802 | V | 95.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132 | -175.9 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | G793 M794 F804 R815 S816 F817 L1045 I1046 L1134 | G793-V802 CarbonylContact C-O 3.59Å; G793-V802 WeakPolarHBondContact CA-O 3.33Å; M794-V802 HydrophobicContact CB-CB 4.37Å; M794-V802 PolarHBondContact N-O 3.29Å; M794-V802 PolarHBondContact O-N 3Å; V802-F804 HydrophobicContact CG1-CD2 4.42Å; V802-F804 HydrophobicContact CG1-CE1 4.05Å; V802-F804 HydrophobicContact CG1-CE2 3.94Å; V802-F804 HydrophobicContact CG1-CZ 3.74Å; V802-R815 HydrophobicContact CG1-CG 3.96Å; V802-S816 WeakPolarHBondContact CA-O 3.44Å; V802-F817 HydrophobicContact CG2-CD2 4.2Å; V802-L1045 HydrophobicContact CG2-CD2 4.21Å; V802-L1045 HydrophobicContact CG2-CG 4.42Å; V802-I1046 HydrophobicContact CG2-CD1 3.78Å; V802-I1046 HydrophobicContact CG2-CG1 4.17Å; V802-L1134 HydrophobicContact CG2-CD1 4.29Å |
| 803 | D | 94.7 | Very high | 88.8 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.4 | 170 | -64.3 | -52.8 | 0 | 0 | 0 | 109.6 | R815 S816 | D803-R815 WeakPolarHBondContact O-CA 3.43Å; D803-S816 PolarHBondContact N-O 2.79Å; D803-S816 VanDerWaalsContact N-O 3.11Å; D803-S816 PolarHBondContact O-N 3.01Å |
| 804 | F | 91.2 | Very high | 89 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131 | 179.1 | -60.2 | -78.1 | 0 | 0 | 0 | 111.1 | L791 A792 V802 E812 L814 R815 L1045 | L791-F804 HydrophobicContact CB-CD2 4.31Å; L791-F804 HydrophobicContact CD1-CE2 4.29Å; A792-F804 PolarHBondContact O-N 3.22Å; V802-F804 HydrophobicContact CG1-CD2 4.42Å; V802-F804 HydrophobicContact CG1-CE1 4.05Å; V802-F804 HydrophobicContact CG1-CE2 3.94Å; V802-F804 HydrophobicContact CG1-CZ 3.74Å; F804-E812 HydrophobicContact CD1-CG 4.09Å; F804-E812 WeakPolarHBondContact CE1-OE2 3.37Å; F804-L814 CarbonylContact C-O 3.57Å; F804-L814 WeakPolarHBondContact CA-O 3.45Å; F804-R815 HydrophobicContact CD1-CB 4.12Å; F804-R815 HydrophobicContact CD1-CG 4.03Å; F804-R815 HydrophobicContact CE1-CB 4.35Å; F804-R815 HydrophobicContact CE1-CG 3.86Å; F804-L1045 HydrophobicContact CZ-CD2 4.27Å |
| 805 | T | 91.8 | Very high | 89 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.5 | 163.8 | -47.2 | 0 | 0 | 0 | 0 | 109.4 | T813 L814 | T805-T813 PolarHBondContact O-N 2.82Å; T805-T813 PolarHBondContact O-OG1 3.33Å; T805-L814 PolarHBondContact N-O 3.28Å; T805-L814 PolarHBondContact O-N 3.43Å |
| 806 | R | 88.8 | Confident | 89 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.9 | -178.7 | -72.8 | 174.2 | 158.4 | 79.3 | 0.7 | 111.6 | L791 H810 R811 K1312 D1337 | L791-R806 PolarHBondContact O-NH1 3.04Å; R806-H810 WeakPolarHBondContact CD-O 3.49Å; R806-H810 WeakPolarHBondContact CG-O 3.16Å; R806-H810 PolarHBondContact NE-O 2.67Å; R806-R811 CarbonylContact C-O 3.37Å; R806-R811 WeakPolarHBondContact CA-O 3.4Å; R806-R811 WeakPolarHBondContact CB-O 3.27Å; R806-K1312 VanDerWaalsContact NE-NZ 3.18Å; R806-D1337 IonicContact CZ-OD2 3.23Å; R806-D1337 IonicContact NH2-OD2 2.73Å; R806-D1337 PolarHBondContact NH2-OD2 3.31Å |
| 807 | D | 85 | Confident | 89.1 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | trans | -86.4 | -171.1 | 176 | 63.2 | 26.3 | 0 | 0 | 0 | 113.5 | L809 H810 R811 T813 | D807-L809 PolarHBondContact O-N 2.77Å; D807-L809 WeakPolarHBondContact OD1-CA 3.5Å; D807-L809 PolarHBondContact OD1-N 3.22Å; D807-H810 WeakPolarHBondContact O-CA 3.12Å; D807-H810 PolarHBondContact O-N 2.71Å; D807-H810 PolarHBondContact OD1-N 2.83Å; D807-R811 PolarHBondContact N-O 2.6Å; D807-R811 PolarHBondContact OD1-N 2.87Å; D807-R811 IonicContact OD1-NE 3.85Å; D807-R811 IonicContact OD2-CZ 3.23Å; D807-R811 IonicContact OD2-NE 2.73Å; D807-R811 PolarHBondContact OD2-NE 2.98Å; D807-R811 IonicContact OD2-NH2 2.87Å; D807-R811 PolarHBondContact OD2-NH2 3.27Å; D807-T813 HydrophobicContact CB-CG2 3.72Å | ||
| 808 | R | 83.3 | Confident | 89.2 | Confident | 127 Ų | 127 | 46.2 Ų | 46.2 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -9 | -179.8 | -53.4 | 179.5 | 78.3 | 102.7 | 3.9 | 113.7 | Y537 E555 | Y537-R808 HydrophobicContact CD1-CB 3.94Å; Y537-R808 HydrophobicContact CD1-CG 4.26Å; Y537-R808 HydrophobicContact CD2-CB 4.39Å; Y537-R808 WeakPolarHBondContact CD2-O 3.18Å; Y537-R808 HydrophobicContact CE1-CB 3.8Å; Y537-R808 HydrophobicContact CE1-CG 3.68Å; Y537-R808 HydrophobicContact CE2-CB 4.23Å; Y537-R808 HydrophobicContact CG-CB 4.26Å; E555-R808 HydrophobicContact CB-CB 4.03Å; E555-R808 HydrophobicContact CG-CB 4.14Å; E555-R808 IonicContact OE2-CZ 2.73Å; E555-R808 IonicContact OE2-NE 3.96Å; E555-R808 PolarHBondContact OE2-NE 2.79Å; E555-R808 IonicContact OE2-NH2 3.26Å |
| 809 | L | 76 | Confident | 89.4 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 13.1 | 169.1 | -63 | 167.2 | 0 | 0 | 0 | 110.3 | R554 E555 E556 L558 D807 R811 | R554-L809 HydrophobicContact CB-CD2 4.03Å; E555-L809 HydrophobicContact CB-CD2 3.9Å; E555-L809 HydrophobicContact CB-CG 4.27Å; E556-L809 HydrophobicContact CB-CD1 4.35Å; E556-L809 HydrophobicContact CG-CD1 4.18Å; E556-L809 HydrophobicContact CG-CG 4.46Å; L558-L809 HydrophobicContact CD1-CD1 3.42Å; L558-L809 VanDerWaalsContact CD1-CD1 3.42Å; L558-L809 HydrophobicContact CG-CD1 4.28Å; D807-L809 PolarHBondContact O-N 2.77Å; D807-L809 WeakPolarHBondContact OD1-CA 3.5Å; D807-L809 PolarHBondContact OD1-N 3.22Å; L809-R811 HydrophobicContact CB-CG 4.15Å; L809-R811 PolarHBondContact O-N 2.93Å; L809-R811 VanDerWaalsContact O-N 3.13Å |
| 810 | H | 74.7 | Confident | 89.5 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | trans | 59.6 | 16.4 | 178.7 | -65.1 | -48.1 | 0 | 0 | 0 | 116.2 | D533 S535 Y537 Y786 W790 R806 D807 K1312 | D533-H810 IonicContact OD2-CD2 3.54Å; D533-H810 IonicContact OD2-NE2 2.72Å; D533-H810 PolarHBondContact OD2-NE2 2.88Å; S535-H810 WeakPolarHBondContact CB-CE1 3.09Å; S535-H810 PolarHBondContact OG-CE1 3.33Å; S535-H810 PolarHBondContact OG-NE2 2.94Å; Y537-H810 AromaticContact CD2-CE1 3.55Å; Y537-H810 AromaticContact CD2-NE2 3.6Å; Y537-H810 AromaticContact CE2-CE1 3.41Å; Y537-H810 VanDerWaalsContact CE2-CE1 3.41Å; Y537-H810 WeakPolarHBondContact CE2-CE1 3.34Å; Y537-H810 AromaticContact CE2-ND1 3.99Å; Y537-H810 AromaticContact CE2-NE2 3.97Å; Y786-H810 AromaticContact CE2-CE1 3.98Å; Y786-H810 PolarHBondContact OH-ND1 2.78Å; W790-H810 AromaticContact CD1-CE1 3.95Å; W790-H810 AromaticContact CD1-NE2 3.82Å; W790-H810 HydrophobicContact CD2-CB 4.35Å; W790-H810 AromaticContact CE2-CD2 3.27Å; W790-H810 AromaticContact CE2-CG 3.7Å; W790-H810 AromaticContact CE2-NE2 3.76Å; W790-H810 HydrophobicContact CZ2-CB 4.13Å; W790-H810 AromaticContact CZ2-CD2 3.36Å; W790-H810 WeakPolarHBondContact CZ2-CD2 3.43Å; W790-H810 AromaticContact CZ2-CG 3.97Å; W790-H810 AromaticContact NE1-CD2 3.15Å; W790-H810 PolarHBondContact NE1-CD2 3.35Å; W790-H810 AromaticContact NE1-CE1 3.66Å; W790-H810 AromaticContact NE1-CG 3.7Å; W790-H810 AromaticContact NE1-NE2 3.09Å; W790-H810 PolarHBondContact NE1-NE2 2.98Å; R806-H810 WeakPolarHBondContact CD-O 3.49Å; R806-H810 WeakPolarHBondContact CG-O 3.16Å; R806-H810 PolarHBondContact NE-O 2.67Å; D807-H810 WeakPolarHBondContact O-CA 3.12Å; D807-H810 PolarHBondContact O-N 2.71Å; D807-H810 PolarHBondContact OD1-N 2.83Å; H810-K1312 HydrophobicContact CB-CD 3.44Å; H810-K1312 VanDerWaalsContact CB-CD 3.44Å; H810-K1312 VanDerWaalsContact O-CD 3.24Å; H810-K1312 WeakPolarHBondContact O-CD 3.45Å; H810-K1312 WeakPolarHBondContact O-CE 3.38Å; H810-K1312 PolarHBondContact O-NZ 2.86Å | ||
| 811 | R | 78.2 | Confident | 89.6 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | trans | -77.3 | 148.2 | 177.3 | -48.2 | 172.5 | -63.1 | -156.4 | -2.6 | 110 | E556 R806 D807 L809 T813 Y826 | E556-R811 IonicContact OE1-NH2 3.66Å; E556-R811 IonicContact OE2-CZ 3.73Å; E556-R811 IonicContact OE2-NH2 2.78Å; E556-R811 PolarHBondContact OE2-NH2 2.75Å; R806-R811 CarbonylContact C-O 3.37Å; R806-R811 WeakPolarHBondContact CA-O 3.4Å; R806-R811 WeakPolarHBondContact CB-O 3.27Å; D807-R811 PolarHBondContact N-O 2.6Å; D807-R811 PolarHBondContact OD1-N 2.87Å; D807-R811 IonicContact OD1-NE 3.85Å; D807-R811 IonicContact OD2-CZ 3.23Å; D807-R811 IonicContact OD2-NE 2.73Å; D807-R811 PolarHBondContact OD2-NE 2.98Å; D807-R811 IonicContact OD2-NH2 2.87Å; D807-R811 PolarHBondContact OD2-NH2 3.27Å; L809-R811 HydrophobicContact CB-CG 4.15Å; L809-R811 PolarHBondContact O-N 2.93Å; L809-R811 VanDerWaalsContact O-N 3.13Å; R811-T813 PolarHBondContact O-N 2.74Å; R811-Y826 HydrophobicContact CB-CD2 3.89Å; R811-Y826 HydrophobicContact CB-CE2 3.34Å; R811-Y826 HydrophobicContact CG-CD2 4.46Å; R811-Y826 HydrophobicContact CG-CE2 4.28Å | ||
| 812 | E | 89.1 | Confident | 89.6 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 119.6 | -179.6 | -176.7 | -174.6 | 135.5 | 0 | 0 | 110.5 | F804 R815 T824 Y826 | F804-E812 HydrophobicContact CD1-CG 4.09Å; F804-E812 WeakPolarHBondContact CE1-OE2 3.37Å; E812-R815 VanDerWaalsContact CD-NH2 3.32Å; E812-R815 VanDerWaalsContact OE1-CB 3.29Å; E812-R815 WeakPolarHBondContact OE1-CB 3.23Å; E812-R815 IonicContact OE1-CZ 3.48Å; E812-R815 VanDerWaalsContact OE1-CZ 3.31Å; E812-R815 IonicContact OE1-NE 3.26Å; E812-R815 PolarHBondContact OE1-NE 2.92Å; E812-R815 IonicContact OE1-NH2 2.81Å; E812-R815 PolarHBondContact OE1-NH2 3.46Å; E812-R815 IonicContact OE2-CZ 2.85Å; E812-R815 IonicContact OE2-NE 3.42Å; E812-R815 IonicContact OE2-NH2 3.28Å; E812-R815 PolarHBondContact OE2-NH2 2.82Å; E812-T824 VanDerWaalsContact O-CB 3.27Å; E812-T824 WeakPolarHBondContact O-CB 3.07Å; E812-T824 WeakPolarHBondContact O-CG2 3.48Å; E812-Y826 WeakPolarHBondContact O-CE2 3.42Å; E812-Y826 PolarHBondContact O-OH 2.8Å |
| 813 | T | 92.9 | Very high | 89.7 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -24.1 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | T805 D807 R811 T823 T824 | T805-T813 PolarHBondContact O-N 2.82Å; T805-T813 PolarHBondContact O-OG1 3.33Å; D807-T813 HydrophobicContact CB-CG2 3.72Å; R811-T813 PolarHBondContact O-N 2.74Å; T813-T823 WeakPolarHBondContact O-CA 3.45Å; T813-T824 WeakPolarHBondContact CA-O 3.49Å; T813-T824 PolarHBondContact O-N 2.69Å |
| 814 | L | 94.6 | Very high | 89.7 | Confident | 44 Ų | 44 | 43.5 Ų | 43.5 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.7 | 173.2 | 175.9 | 65.8 | 0 | 0 | 0 | 109.7 | F804 T805 E821 L822 T823 | F804-L814 CarbonylContact C-O 3.57Å; F804-L814 WeakPolarHBondContact CA-O 3.45Å; T805-L814 PolarHBondContact N-O 3.28Å; T805-L814 PolarHBondContact O-N 3.43Å; L814-E821 HydrophobicContact CD1-CB 4.08Å; L814-L822 CarbonylContact C-O 3.53Å; L814-L822 VanDerWaalsContact CA-O 3.3Å; L814-L822 WeakPolarHBondContact CA-O 3.48Å; L814-T823 HydrophobicContact CD1-CG2 4.03Å |
| 815 | R | 94.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.4 | 166.3 | 177.3 | -166.5 | -51.5 | -158.8 | -6.5 | 109.8 | V802 D803 F804 E812 E821 L822 | V802-R815 HydrophobicContact CG1-CG 3.96Å; D803-R815 WeakPolarHBondContact O-CA 3.43Å; F804-R815 HydrophobicContact CD1-CB 4.12Å; F804-R815 HydrophobicContact CD1-CG 4.03Å; F804-R815 HydrophobicContact CE1-CB 4.35Å; F804-R815 HydrophobicContact CE1-CG 3.86Å; E812-R815 VanDerWaalsContact CD-NH2 3.32Å; E812-R815 VanDerWaalsContact OE1-CB 3.29Å; E812-R815 WeakPolarHBondContact OE1-CB 3.23Å; E812-R815 IonicContact OE1-CZ 3.48Å; E812-R815 VanDerWaalsContact OE1-CZ 3.31Å; E812-R815 IonicContact OE1-NE 3.26Å; E812-R815 PolarHBondContact OE1-NE 2.92Å; E812-R815 IonicContact OE1-NH2 2.81Å; E812-R815 PolarHBondContact OE1-NH2 3.46Å; E812-R815 IonicContact OE2-CZ 2.85Å; E812-R815 IonicContact OE2-NE 3.42Å; E812-R815 IonicContact OE2-NH2 3.28Å; E812-R815 PolarHBondContact OE2-NH2 2.82Å; R815-E821 WeakPolarHBondContact O-CA 3.48Å; R815-L822 HydrophobicContact CB-CB 4.48Å; R815-L822 PolarHBondContact N-O 3.08Å; R815-L822 PolarHBondContact O-N 3.49Å |
| 816 | S | 94.5 | Very high | 89.6 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.6 | -179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | V802 D803 Y820 | V802-S816 WeakPolarHBondContact CA-O 3.44Å; D803-S816 PolarHBondContact N-O 2.79Å; D803-S816 VanDerWaalsContact N-O 3.11Å; D803-S816 PolarHBondContact O-N 3.01Å; S816-Y820 CarbonylContact C-O 3.59Å; S816-Y820 VanDerWaalsContact CA-O 3.31Å; S816-Y820 WeakPolarHBondContact CA-O 3.41Å |
| 817 | F | 94.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 98.2 | 173.7 | 169.1 | -94.7 | 0 | 0 | 0 | 109.5 | L801 V802 R819 Y820 I1046 I1132 L1134 K1149 | L801-F817 HydrophobicContact CB-CD2 4.41Å; L801-F817 HydrophobicContact CB-CE2 4.39Å; L801-F817 WeakPolarHBondContact O-CA 3.22Å; L801-F817 WeakPolarHBondContact O-CD2 3.34Å; V802-F817 HydrophobicContact CG2-CD2 4.2Å; F817-R819 PolarHBondContact O-N 3.15Å; F817-Y820 HydrophobicContact CB-CD1 4.39Å; F817-Y820 PolarHBondContact N-O 3.07Å; F817-Y820 VanDerWaalsContact O-CB 3.29Å; F817-Y820 WeakPolarHBondContact O-CB 3.33Å; F817-Y820 PolarHBondContact O-N 3.33Å; F817-I1046 HydrophobicContact CD2-CD1 3.77Å; F817-I1046 HydrophobicContact CE2-CD1 3.56Å; F817-I1046 HydrophobicContact CZ-CD1 4.4Å; F817-I1132 HydrophobicContact CE2-CG2 4.26Å; F817-I1132 HydrophobicContact CZ-CG2 4.14Å; F817-L1134 HydrophobicContact CB-CB 4.47Å; F817-L1134 HydrophobicContact CB-CD1 4.09Å; F817-L1134 HydrophobicContact CB-CD2 4.36Å; F817-L1134 HydrophobicContact CD1-CB 3.59Å; F817-L1134 HydrophobicContact CD2-CB 4.35Å; F817-L1134 HydrophobicContact CD2-CD1 4.32Å; F817-L1134 HydrophobicContact CE1-CB 3.79Å; F817-L1134 HydrophobicContact CG-CB 3.9Å; F817-L1134 HydrophobicContact CG-CD1 4.14Å; F817-L1134 HydrophobicContact CG-CG 4.45Å; F817-L1134 HydrophobicContact CZ-CB 4.28Å; F817-K1149 HydrophobicContact CE1-CB 4.47Å; F817-K1149 HydrophobicContact CE1-CG 4Å; F817-K1149 HydrophobicContact CE2-CG 4.31Å; F817-K1149 HydrophobicContact CZ-CG 3.63Å |
| 818 | G | 90.2 | Very high | 88.7 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 67% | 0.67 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | -109.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1149 | G818-K1149 WeakPolarHBondContact CA-O 3.42Š|
| 819 | R | 91.4 | Very high | 87.8 | Confident | 184 Ų | 184 | 38.6 Ų | 38.6 | 69% | 0.694 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4.5 | 172.1 | -70.8 | -171.9 | 174.1 | -178.1 | -0.2 | 115.1 | F817 N838 K1149 E1150 | F817-R819 PolarHBondContact O-N 3.15Å; R819-N838 PolarHBondContact O-ND2 3.08Å; R819-K1149 PolarHBondContact N-O 3.06Å; R819-E1150 WeakPolarHBondContact CD-O 3.47Å |
| 820 | Y | 93 | Very high | 87.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.7 | 173.9 | 176.8 | -84.3 | 0 | 0 | 0 | 110.2 | S816 F817 L822 L837 L1134 H1136 I1147 | S816-Y820 CarbonylContact C-O 3.59Å; S816-Y820 VanDerWaalsContact CA-O 3.31Å; S816-Y820 WeakPolarHBondContact CA-O 3.41Å; F817-Y820 HydrophobicContact CB-CD1 4.39Å; F817-Y820 PolarHBondContact N-O 3.07Å; F817-Y820 VanDerWaalsContact O-CB 3.29Å; F817-Y820 WeakPolarHBondContact O-CB 3.33Å; F817-Y820 PolarHBondContact O-N 3.33Å; Y820-L822 HydrophobicContact CE1-CB 3.59Å; Y820-L837 HydrophobicContact CD1-CD1 4.46Å; Y820-L837 HydrophobicContact CD2-CD1 3.43Å; Y820-L837 VanDerWaalsContact CD2-CD1 3.43Å; Y820-L837 HydrophobicContact CD2-CD2 4.48Å; Y820-L837 HydrophobicContact CE1-CD1 4.39Å; Y820-L837 HydrophobicContact CE2-CD1 3.35Å; Y820-L837 HydrophobicContact CE2-CD2 4.17Å; Y820-L837 HydrophobicContact CE2-CG 4.39Å; Y820-L837 HydrophobicContact CG-CD1 4.02Å; Y820-L1134 HydrophobicContact CD1-CD2 3.39Å; Y820-L1134 HydrophobicContact CD2-CD2 3.92Å; Y820-L1134 HydrophobicContact CE1-CD2 3.24Å; Y820-L1134 HydrophobicContact CE2-CD2 3.78Å; Y820-L1134 HydrophobicContact CG-CD2 3.73Å; Y820-L1134 VanDerWaalsContact CZ-CD2 3.44Å; Y820-H1136 HydrophobicContact CE2-CB 4.25Å; Y820-H1136 PolarHBondContact OH-ND1 2.87Å; Y820-I1147 HydrophobicContact CD2-CB 4.22Å; Y820-I1147 HydrophobicContact CD2-CG1 3.96Å; Y820-I1147 HydrophobicContact CD2-CG2 4Å; Y820-I1147 HydrophobicContact CE2-CG1 4.08Å |
| 821 | E | 94.4 | Very high | 88 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 110.2 | 173.9 | -65.8 | -179.3 | 139.5 | 0 | 0 | 110.4 | L814 R815 L837 N838 | L814-E821 HydrophobicContact CD1-CB 4.08Å; R815-E821 WeakPolarHBondContact O-CA 3.48Å; E821-L837 WeakPolarHBondContact O-CA 3.36Å; E821-L837 WeakPolarHBondContact O-CD1 3.41Å; E821-N838 HydrophobicContact CB-CB 4.23Å; E821-N838 PolarHBondContact O-N 3.45Å; E821-N838 PolarHBondContact OE2-ND2 3.21Å |
| 822 | L | 94.8 | Very high | 88.5 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111.9 | 176.6 | -175.6 | 70.8 | 0 | 0 | 0 | 110.2 | L814 R815 Y820 Q835 L837 | L814-L822 CarbonylContact C-O 3.53Å; L814-L822 VanDerWaalsContact CA-O 3.3Å; L814-L822 WeakPolarHBondContact CA-O 3.48Å; R815-L822 HydrophobicContact CB-CB 4.48Å; R815-L822 PolarHBondContact N-O 3.08Å; R815-L822 PolarHBondContact O-N 3.49Å; Y820-L822 HydrophobicContact CE1-CB 3.59Å; L822-Q835 HydrophobicContact CD1-CB 4.16Å; L822-L837 HydrophobicContact CD1-CB 4.35Å |
| 823 | T | 95.7 | Very high | 88.7 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.1 | 170 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | T813 L814 Q835 H836 | T813-T823 WeakPolarHBondContact O-CA 3.45Å; L814-T823 HydrophobicContact CD1-CG2 4.03Å; T823-Q835 CarbonylContact O-C 3.58Å; T823-Q835 WeakPolarHBondContact O-CA 3.49Å; T823-H836 PolarHBondContact N-O 3.22Å; T823-H836 PolarHBondContact O-N 2.81Å; T823-H836 PolarHBondContact OG1-O 3.1Å |
| 824 | T | 94.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.9 | 179.2 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | E812 T813 Y826 L832 R834 Q835 | E812-T824 VanDerWaalsContact O-CB 3.27Å; E812-T824 WeakPolarHBondContact O-CB 3.07Å; E812-T824 WeakPolarHBondContact O-CG2 3.48Å; T813-T824 WeakPolarHBondContact CA-O 3.49Å; T813-T824 PolarHBondContact O-N 2.69Å; T824-Y826 HydrophobicContact CG2-CE1 4.26Å; T824-Y826 HydrophobicContact CG2-CE2 3.79Å; T824-L832 HydrophobicContact CG2-CD1 3.51Å; T824-R834 WeakPolarHBondContact CA-O 3.06Å; T824-Q835 HydrophobicContact CG2-CG 4.29Å |
| 825 | A | 93.2 | Very high | 88.7 | Confident | 20 Ų | 20 | 44 Ų | 44 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q833 R834 | A825-Q833 WeakPolarHBondContact O-CA 3.48Å; A825-Q833 WeakPolarHBondContact O-CB 3.37Å; A825-Q833 PolarHBondContact O-N 3.37Å; A825-R834 HydrophobicContact CB-CG 3.78Å; A825-R834 PolarHBondContact N-O 3.12Å; A825-R834 PolarHBondContact O-N 2.61Å; A825-R834 VanDerWaalsContact O-N 3.15Å |
| 826 | Y | 87.6 | Confident | 88.7 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.6 | -172.5 | -58 | -86.4 | 0 | 0 | 0 | 111.2 | R811 E812 T824 G830 Q831 L832 | R811-Y826 HydrophobicContact CB-CD2 3.89Å; R811-Y826 HydrophobicContact CB-CE2 3.34Å; R811-Y826 HydrophobicContact CG-CD2 4.46Å; R811-Y826 HydrophobicContact CG-CE2 4.28Å; E812-Y826 WeakPolarHBondContact O-CE2 3.42Å; E812-Y826 PolarHBondContact O-OH 2.8Å; T824-Y826 HydrophobicContact CG2-CE1 4.26Å; T824-Y826 HydrophobicContact CG2-CE2 3.79Å; Y826-G830 VanDerWaalsContact CD1-O 3.25Å; Y826-G830 WeakPolarHBondContact CD1-O 3.44Å; Y826-Q831 CarbonylContact C-O 3.48Å; Y826-Q831 WeakPolarHBondContact CA-O 3.33Å; Y826-Q831 WeakPolarHBondContact CB-O 3.4Å; Y826-L832 HydrophobicContact CD1-CD1 4.32Å; Y826-L832 HydrophobicContact CE1-CD1 3.96Å |
| 827 | T | 82.8 | Confident | 88.4 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.104 | 23% | 0.234 | C | C | . | . | trans | -72.1 | 166.7 | 167.8 | 75.5 | 0 | 0 | 0 | 0 | 109.7 | Q577 A829 G830 Q831 Q833 | Q577-T827 PolarHBondContact NE2-OG1 3.43Å; Q577-T827 VanDerWaalsContact NE2-OG1 3.16Å; T827-A829 PolarHBondContact O-N 2.75Å; T827-A829 PolarHBondContact OG1-N 2.86Å; T827-A829 VanDerWaalsContact OG1-N 3.1Å; T827-G830 PolarHBondContact O-N 3.29Å; T827-Q831 HydrophobicContact CG2-CB 4.22Å; T827-Q831 PolarHBondContact N-O 2.72Å; T827-Q831 WeakPolarHBondContact OG1-CB 3.47Å; T827-Q831 PolarHBondContact OG1-OE1 2.82Å; T827-Q833 HydrophobicContact CG2-CB 4Å; T827-Q833 HydrophobicContact CG2-CG 4.34Å | ||
| 828 | P | 72.8 | Confident | 88 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -13.5 | 168.6 | -26.3 | 36.7 | 0 | 0 | 0 | 114.7 | L558 T576 Q577 | L558-P828 WeakPolarHBondContact CD1-O 3.35Å; L558-P828 HydrophobicContact CD2-CB 3.75Å; L558-P828 WeakPolarHBondContact CD2-O 3.25Å; T576-P828 WeakPolarHBondContact CB-O 3.33Å; T576-P828 PolarHBondContact OG1-O 2.94Å; Q577-P828 HydrophobicContact CG-CB 4.38Å |
| 829 | A | 64.8 | Low | 87.3 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T576 Q577 T827 Q831 | T576-A829 VanDerWaalsContact OG1-CA 3.32Å; T576-A829 WeakPolarHBondContact OG1-CA 3.47Å; Q577-A829 HydrophobicContact CG-CB 4Å; T827-A829 PolarHBondContact O-N 2.75Å; T827-A829 PolarHBondContact OG1-N 2.86Å; T827-A829 VanDerWaalsContact OG1-N 3.1Å; A829-Q831 HydrophobicContact CB-CG 3.97Å |
| 830 | G | 73.5 | Confident | 86.8 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 86.2 | -10 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y826 T827 | Y826-G830 VanDerWaalsContact CD1-O 3.25Å; Y826-G830 WeakPolarHBondContact CD1-O 3.44Å; T827-G830 PolarHBondContact O-N 3.29Å |
| 831 | Q | 81.5 | Confident | 86.2 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | trans | -61.9 | 143.9 | 172.7 | -57.9 | 161.9 | -39.8 | 0 | 0 | 111.2 | Y826 T827 A829 Q833 W848 | Y826-Q831 CarbonylContact C-O 3.48Å; Y826-Q831 WeakPolarHBondContact CA-O 3.33Å; Y826-Q831 WeakPolarHBondContact CB-O 3.4Å; T827-Q831 HydrophobicContact CG2-CB 4.22Å; T827-Q831 PolarHBondContact N-O 2.72Å; T827-Q831 WeakPolarHBondContact OG1-CB 3.47Å; T827-Q831 PolarHBondContact OG1-OE1 2.82Å; A829-Q831 HydrophobicContact CB-CG 3.97Å; Q831-Q833 PolarHBondContact O-N 3.4Å; Q831-W848 HydrophobicContact CB-CD2 4.05Å; Q831-W848 HydrophobicContact CB-CG 4.26Å; Q831-W848 HydrophobicContact CB-CZ2 4.12Å; Q831-W848 HydrophobicContact CG-CD2 4.19Å; Q831-W848 HydrophobicContact CG-CE3 4.49Å; Q831-W848 HydrophobicContact CG-CG 4.42Å | ||
| 832 | L | 89.2 | Confident | 85.7 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 125.4 | 175.7 | -170.3 | 64.9 | 0 | 0 | 0 | 110.3 | T824 Y826 Q835 Y846 W848 H1139 | T824-L832 HydrophobicContact CG2-CD1 3.51Å; Y826-L832 HydrophobicContact CD1-CD1 4.32Å; Y826-L832 HydrophobicContact CE1-CD1 3.96Å; L832-Q835 HydrophobicContact CD1-CG 3.84Å; L832-Q835 HydrophobicContact CD2-CG 4.01Å; L832-Q835 HydrophobicContact CG-CG 4.24Å; L832-Y846 HydrophobicContact CD2-CD1 4.32Å; L832-Y846 HydrophobicContact CD2-CD2 3.9Å; L832-Y846 HydrophobicContact CD2-CE1 3.98Å; L832-Y846 HydrophobicContact CD2-CE2 3.51Å; L832-Y846 HydrophobicContact CD2-CG 4.31Å; L832-Y846 HydrophobicContact CG-CD2 3.86Å; L832-Y846 HydrophobicContact CG-CE2 3.93Å; L832-Y846 HydrophobicContact CG-CG 4.3Å; L832-Y846 WeakPolarHBondContact O-CB 3.4Å; L832-W848 HydrophobicContact CB-CZ2 4.4Å; L832-W848 PolarHBondContact O-NE1 2.92Å; L832-H1139 HydrophobicContact CD2-CB 3.46Å; L832-H1139 VanDerWaalsContact CD2-CB 3.46Å |
| 833 | Q | 92.6 | Very high | 85.6 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -43 | 178.8 | -174.2 | -174.9 | 37.9 | 0 | 0 | 111.6 | A825 T827 Q831 Y846 | A825-Q833 WeakPolarHBondContact O-CA 3.48Å; A825-Q833 WeakPolarHBondContact O-CB 3.37Å; A825-Q833 PolarHBondContact O-N 3.37Å; T827-Q833 HydrophobicContact CG2-CB 4Å; T827-Q833 HydrophobicContact CG2-CG 4.34Å; Q831-Q833 PolarHBondContact O-N 3.4Å; Q833-Y846 PolarHBondContact O-N 3.33Å |
| 834 | R | 93.8 | Very high | 85.5 | Confident | 107 Ų | 107 | 44.9 Ų | 44.9 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 154.4 | 178.7 | 57.3 | 168.5 | 179.8 | 174.6 | 0.4 | 112.5 | T824 A825 R844 D845 | T824-R834 WeakPolarHBondContact CA-O 3.06Å; A825-R834 HydrophobicContact CB-CG 3.78Å; A825-R834 PolarHBondContact N-O 3.12Å; A825-R834 PolarHBondContact O-N 2.61Å; A825-R834 VanDerWaalsContact O-N 3.15Å; R834-R844 CarbonylContact C-O 3.4Å; R834-R844 WeakPolarHBondContact CA-O 3.49Å; R834-D845 WeakPolarHBondContact CB-OD1 3.27Å |
| 835 | Q | 94.6 | Very high | 85.6 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 104.6 | 167.6 | -66.5 | -167.5 | -60.5 | 0 | 0 | 107.8 | L822 T823 T824 L832 D843 R844 Y846 | L822-Q835 HydrophobicContact CD1-CB 4.16Å; T823-Q835 CarbonylContact O-C 3.58Å; T823-Q835 WeakPolarHBondContact O-CA 3.49Å; T824-Q835 HydrophobicContact CG2-CG 4.29Å; L832-Q835 HydrophobicContact CD1-CG 3.84Å; L832-Q835 HydrophobicContact CD2-CG 4.01Å; L832-Q835 HydrophobicContact CG-CG 4.24Å; Q835-D843 WeakPolarHBondContact O-CA 3.12Å; Q835-R844 PolarHBondContact N-O 3.32Å; Q835-R844 PolarHBondContact O-N 3.32Å; Q835-Y846 HydrophobicContact CB-CE2 4.49Å; Q835-Y846 HydrophobicContact CG-CE2 4.26Å |
| 836 | H | 93.9 | Very high | 85.7 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.4 | -177.7 | -67 | 175.2 | 0 | 0 | 0 | 109.9 | T823 D843 D845 | T823-H836 PolarHBondContact N-O 3.22Å; T823-H836 PolarHBondContact O-N 2.81Å; T823-H836 PolarHBondContact OG1-O 3.1Å; H836-D843 VanDerWaalsContact CA-OD1 3.28Å; H836-D843 WeakPolarHBondContact CA-OD1 3.29Å; H836-D845 IonicContact CD2-OD1 3.55Å; H836-D845 IonicContact CE1-OD1 2.74Å; H836-D845 PolarHBondContact CE1-OD1 2.97Å; H836-D845 IonicContact NE2-OD1 4Å; H836-D845 PolarHBondContact NE2-OD1 2.83Å; H836-D845 IonicContact NE2-OD2 3.74Å |
| 837 | L | 88.7 | Confident | 86 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 153.6 | 176.4 | 177.3 | 62.8 | 0 | 0 | 0 | 109 | Y820 E821 L822 S839 Y842 D843 | Y820-L837 HydrophobicContact CD1-CD1 4.46Å; Y820-L837 HydrophobicContact CD2-CD1 3.43Å; Y820-L837 VanDerWaalsContact CD2-CD1 3.43Å; Y820-L837 HydrophobicContact CD2-CD2 4.48Å; Y820-L837 HydrophobicContact CE1-CD1 4.39Å; Y820-L837 HydrophobicContact CE2-CD1 3.35Å; Y820-L837 HydrophobicContact CE2-CD2 4.17Å; Y820-L837 HydrophobicContact CE2-CG 4.39Å; Y820-L837 HydrophobicContact CG-CD1 4.02Å; E821-L837 WeakPolarHBondContact O-CA 3.36Å; E821-L837 WeakPolarHBondContact O-CD1 3.41Å; L822-L837 HydrophobicContact CD1-CB 4.35Å; L837-S839 WeakPolarHBondContact CB-O 3.35Å; L837-S839 CarbonylContact O-C 3.57Å; L837-S839 PolarHBondContact O-N 3.09Å; L837-Y842 HydrophobicContact CD2-CD2 3.73Å; L837-D843 PolarHBondContact N-OD1 2.97Å |
| 838 | N | 85.1 | Confident | 86.4 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -63 | 2.5 | 171.2 | 65.9 | 0.7 | 0 | 0 | 0 | 115.1 | R819 E821 | R819-N838 PolarHBondContact O-ND2 3.08Å; E821-N838 HydrophobicContact CB-CB 4.23Å; E821-N838 PolarHBondContact O-N 3.45Å; E821-N838 PolarHBondContact OE2-ND2 3.21Å |
| 839 | S | 75.7 | Confident | 87 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 43% | 0.434 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -130.6 | 124.8 | 164 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | L837 Q841 | L837-S839 WeakPolarHBondContact CB-O 3.35Å; L837-S839 CarbonylContact O-C 3.57Å; L837-S839 PolarHBondContact O-N 3.09Å; S839-Q841 PolarHBondContact O-N 3.29Å |
| 840 | L | 80.1 | Confident | 87.6 | Confident | 123 Ų | 123 | 51.3 Ų | 51.3 | 64% | 0.644 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -56.8 | -10.6 | -173.3 | -58.9 | 174.7 | 0 | 0 | 0 | 115.5 | Y842 D843 P860 | L840-Y842 PolarHBondContact O-N 3.32Å; L840-Y842 VanDerWaalsContact O-N 3.15Å; L840-D843 VanDerWaalsContact CD2-OD2 3.25Å; L840-D843 WeakPolarHBondContact CD2-OD2 3.43Å; L840-D843 PolarHBondContact O-N 2.83Å; L840-P860 WeakPolarHBondContact O-CG 3.32Å |
| 841 | Q | 80.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -59.6 | -29.3 | -170 | -178.2 | 170 | -8.4 | 0 | 0 | 114.2 | S839 | S839-Q841 PolarHBondContact O-N 3.29Š|
| 842 | Y | 85.2 | Confident | 87.4 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 7% | 0.071 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -123.4 | 12.6 | -174.3 | -55.1 | -69.5 | 0 | 0 | 0 | 114.5 | L837 L840 R844 H1136 A1145 I1147 T1153 C1156 | L837-Y842 HydrophobicContact CD2-CD2 3.73Å; L840-Y842 PolarHBondContact O-N 3.32Å; L840-Y842 VanDerWaalsContact O-N 3.15Å; Y842-R844 PolarHBondContact O-N 2.96Å; Y842-H1136 VanDerWaalsContact CB-NE2 3.33Å; Y842-H1136 WeakPolarHBondContact CB-NE2 3.33Å; Y842-H1136 AromaticContact CG-CD2 3.8Å; Y842-H1136 AromaticContact CG-NE2 3.85Å; Y842-A1145 HydrophobicContact CE1-CB 4.07Å; Y842-A1145 HydrophobicContact CE2-CB 4.1Å; Y842-I1147 HydrophobicContact CE2-CD1 4.22Å; Y842-T1153 WeakPolarHBondContact CE2-OG1 3.25Å; Y842-T1153 WeakPolarHBondContact OH-CG2 3.33Å; Y842-T1153 PolarHBondContact OH-OG1 3.1Å; Y842-C1156 HydrophobicContact CE1-CB 4.2Å; Y842-C1156 VanDerWaalsContact OH-CB 3.31Å; Y842-C1156 WeakPolarHBondContact OH-CB 3.32Å; Y842-C1156 PolarHBondContact OH-SG 3.03Å |
| 843 | D | 91.7 | Very high | 87.2 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | trans | -58.9 | 135.2 | 178.5 | -69.5 | -5.6 | 0 | 0 | 0 | 111.3 | Q835 H836 L837 L840 S859 P860 | Q835-D843 WeakPolarHBondContact O-CA 3.12Å; H836-D843 VanDerWaalsContact CA-OD1 3.28Å; H836-D843 WeakPolarHBondContact CA-OD1 3.29Å; L837-D843 PolarHBondContact N-OD1 2.97Å; L840-D843 VanDerWaalsContact CD2-OD2 3.25Å; L840-D843 WeakPolarHBondContact CD2-OD2 3.43Å; L840-D843 PolarHBondContact O-N 2.83Å; D843-S859 VanDerWaalsContact O-CA 3.27Å; D843-S859 WeakPolarHBondContact O-CA 3.29Å; D843-S859 WeakPolarHBondContact O-CB 3.39Å; D843-P860 HydrophobicContact CB-CG 4.18Å; D843-P860 WeakPolarHBondContact O-CD 3.44Å | ||
| 844 | R | 93.6 | Very high | 87.1 | Confident | 49 Ų | 49 | 48 Ų | 48 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.8 | 178.4 | -68.4 | 170.6 | -165.9 | -97.4 | -22.5 | 110.6 | R834 Q835 Y842 Y846 I857 S858 | R834-R844 CarbonylContact C-O 3.4Å; R834-R844 WeakPolarHBondContact CA-O 3.49Å; Q835-R844 PolarHBondContact N-O 3.32Å; Q835-R844 PolarHBondContact O-N 3.32Å; Y842-R844 PolarHBondContact O-N 2.96Å; R844-Y846 HydrophobicContact CB-CD2 4.41Å; R844-Y846 HydrophobicContact CB-CE2 3.55Å; R844-Y846 WeakPolarHBondContact CD-OH 3.22Å; R844-I857 HydrophobicContact CB-CG2 4.32Å; R844-I857 HydrophobicContact CG-CG2 4.23Å; R844-S858 CarbonylContact C-O 3.56Å; R844-S858 WeakPolarHBondContact CA-O 3.19Å |
| 845 | D | 96 | Very high | 87.2 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 135.5 | 167.1 | -63.3 | -51.8 | 0 | 0 | 0 | 109.6 | R834 H836 I857 S858 | R834-D845 WeakPolarHBondContact CB-OD1 3.27Å; H836-D845 IonicContact CD2-OD1 3.55Å; H836-D845 IonicContact CE1-OD1 2.74Å; H836-D845 PolarHBondContact CE1-OD1 2.97Å; H836-D845 IonicContact NE2-OD1 4Å; H836-D845 PolarHBondContact NE2-OD1 2.83Å; H836-D845 IonicContact NE2-OD2 3.74Å; D845-I857 CarbonylContact O-C 3.59Å; D845-I857 WeakPolarHBondContact O-CA 3.49Å; D845-S858 PolarHBondContact N-O 2.84Å; D845-S858 PolarHBondContact O-N 3.01Å |
| 846 | Y | 95.5 | Very high | 87.3 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.6 | -172.7 | -65.5 | -94.8 | 0 | 0 | 0 | 109.8 | L832 Q833 Q835 R844 L854 I857 H1139 | L832-Y846 HydrophobicContact CD2-CD1 4.32Å; L832-Y846 HydrophobicContact CD2-CD2 3.9Å; L832-Y846 HydrophobicContact CD2-CE1 3.98Å; L832-Y846 HydrophobicContact CD2-CE2 3.51Å; L832-Y846 HydrophobicContact CD2-CG 4.31Å; L832-Y846 HydrophobicContact CG-CD2 3.86Å; L832-Y846 HydrophobicContact CG-CE2 3.93Å; L832-Y846 HydrophobicContact CG-CG 4.3Å; L832-Y846 WeakPolarHBondContact O-CB 3.4Å; Q833-Y846 PolarHBondContact O-N 3.33Å; Q835-Y846 HydrophobicContact CB-CE2 4.49Å; Q835-Y846 HydrophobicContact CG-CE2 4.26Å; R844-Y846 HydrophobicContact CB-CD2 4.41Å; R844-Y846 HydrophobicContact CB-CE2 3.55Å; R844-Y846 WeakPolarHBondContact CD-OH 3.22Å; Y846-L854 HydrophobicContact CD1-CD1 3.86Å; Y846-L854 HydrophobicContact CD1-CD2 3.92Å; Y846-L854 HydrophobicContact CE1-CD2 4.33Å; Y846-L854 HydrophobicContact CG-CD1 4.45Å; Y846-I857 HydrophobicContact CD1-CD1 4.48Å; Y846-I857 HydrophobicContact CD1-CG1 3.93Å; Y846-I857 HydrophobicContact CE1-CD1 4.04Å; Y846-I857 HydrophobicContact CE1-CG1 3.92Å; Y846-H1139 HydrophobicContact CE1-CB 3.89Å; Y846-H1139 AromaticContact CE1-CG 3.6Å; Y846-H1139 AromaticContact CE1-ND1 3.47Å; Y846-H1139 WeakPolarHBondContact CE1-ND1 3.48Å; Y846-H1139 AromaticContact CZ-ND1 3.99Å |
| 847 | T | 95.1 | Very high | 87.3 | Confident | 41 Ų | 41 | 48 Ų | 48 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.9 | 176 | -40.3 | 0 | 0 | 0 | 0 | 109.8 | L854 I855 R856 | T847-L854 WeakPolarHBondContact O-CD1 3.15Å; T847-I855 HydrophobicContact CG2-CD1 4.24Å; T847-I855 HydrophobicContact CG2-CG1 4.27Å; T847-I855 WeakPolarHBondContact O-CG1 3.17Å; T847-I855 PolarHBondContact O-N 3.12Å; T847-R856 PolarHBondContact N-O 2.91Å; T847-R856 PolarHBondContact O-N 2.89Å; T847-R856 VanDerWaalsContact O-N 3.09Å; T847-R856 PolarHBondContact OG1-NE 2.86Å; T847-R856 VanDerWaalsContact OG1-NE 3.08Å; T847-R856 PolarHBondContact OG1-NH2 2.96Å |
| 848 | W | 90 | Very high | 87.6 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 159.1 | -178.9 | -52 | 82.7 | 0 | 0 | 0 | 109.9 | Q831 L832 G852 E853 L854 | Q831-W848 HydrophobicContact CB-CD2 4.05Å; Q831-W848 HydrophobicContact CB-CG 4.26Å; Q831-W848 HydrophobicContact CB-CZ2 4.12Å; Q831-W848 HydrophobicContact CG-CD2 4.19Å; Q831-W848 HydrophobicContact CG-CE3 4.49Å; Q831-W848 HydrophobicContact CG-CG 4.42Å; L832-W848 HydrophobicContact CB-CZ2 4.4Å; L832-W848 PolarHBondContact O-NE1 2.92Å; W848-G852 VanDerWaalsContact CE3-O 3.3Å; W848-E853 CarbonylContact C-O 3.5Å; W848-E853 VanDerWaalsContact CA-O 3.28Å; W848-E853 WeakPolarHBondContact CA-O 3.3Å; W848-L854 HydrophobicContact CD2-CB 4.31Å; W848-L854 HydrophobicContact CD2-CD1 3.92Å; W848-L854 HydrophobicContact CE3-CB 3.77Å; W848-L854 HydrophobicContact CE3-CD1 4.26Å; W848-L854 HydrophobicContact CG-CD1 4.46Å; W848-L854 HydrophobicContact CH2-CB 4.02Å; W848-L854 HydrophobicContact CH2-CD1 4.24Å; W848-L854 HydrophobicContact CH2-CD2 4.39Å; W848-L854 HydrophobicContact CH2-CG 4.45Å; W848-L854 HydrophobicContact CZ2-CD1 3.88Å; W848-L854 HydrophobicContact CZ3-CB 3.62Å; W848-L854 HydrophobicContact CZ3-CD1 4.42Å; W848-L854 HydrophobicContact CZ3-CG 4.48Å |
| 849 | N | 86 | Confident | 87.8 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | trans | -99 | 175.1 | 166.9 | 70.6 | 8.5 | 0 | 0 | 0 | 111.7 | N851 G852 E853 I855 | N849-N851 PolarHBondContact O-N 3.3Å; N849-N851 VanDerWaalsContact O-N 3.17Å; N849-N851 WeakPolarHBondContact OD1-CB 3.34Å; N849-N851 PolarHBondContact OD1-N 3.42Å; N849-N851 VanDerWaalsContact OD1-N 3.14Å; N849-G852 WeakPolarHBondContact O-CA 3.18Å; N849-G852 PolarHBondContact O-N 3.11Å; N849-G852 PolarHBondContact OD1-N 2.76Å; N849-E853 PolarHBondContact N-O 2.87Å; N849-E853 PolarHBondContact ND2-OE2 3.35Å; N849-E853 WeakPolarHBondContact OD1-CB 3.41Å; N849-E853 PolarHBondContact OD1-N 2.91Å; N849-E853 PolarHBondContact OD1-O 3.31Å; N849-I855 HydrophobicContact CB-CD1 4.34Å; N849-I855 HydrophobicContact CB-CG2 3.78Å | ||
| 850 | D | 78.5 | Confident | 88.3 | Confident | 101 Ų | 101 | 46.3 Ų | 46.3 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.7 | -178.8 | -54.4 | 23.7 | 0 | 0 | 0 | 113.7 | P597 G852 | P597-D850 WeakPolarHBondContact CB-O 3.43Å; D850-G852 VanDerWaalsContact C-N 3.32Å |
| 851 | N | 72.8 | Confident | 88.4 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.3 | 171.9 | -72.4 | -22 | 0 | 0 | 0 | 113 | D598 N849 E853 N1249 | D598-N851 VanDerWaalsContact CB-OD1 3.24Å; D598-N851 WeakPolarHBondContact CB-OD1 3.43Å; D598-N851 PolarHBondContact N-OD1 3.49Å; D598-N851 VanDerWaalsContact N-OD1 3.17Å; D598-N851 PolarHBondContact OD1-OD1 3.41Å; D598-N851 PolarHBondContact OD2-ND2 2.96Å; N849-N851 PolarHBondContact O-N 3.3Å; N849-N851 VanDerWaalsContact O-N 3.17Å; N849-N851 WeakPolarHBondContact OD1-CB 3.34Å; N849-N851 PolarHBondContact OD1-N 3.42Å; N849-N851 VanDerWaalsContact OD1-N 3.14Å; N851-E853 HydrophobicContact CB-CG 4.06Å; N851-N1249 PolarHBondContact O-ND2 3.25Å |
| 852 | G | 76.7 | Confident | 88.9 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 84.5 | 14.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W848 N849 D850 | W848-G852 VanDerWaalsContact CE3-O 3.3Å; N849-G852 WeakPolarHBondContact O-CA 3.18Å; N849-G852 PolarHBondContact O-N 3.11Å; N849-G852 PolarHBondContact OD1-N 2.76Å; D850-G852 VanDerWaalsContact C-N 3.32Å |
| 853 | E | 85.1 | Confident | 89.3 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | trans | -85.1 | 138 | 176.5 | -53.5 | 169.3 | 124.3 | 0 | 0 | 110.6 | W848 N849 N851 I855 Y868 | W848-E853 CarbonylContact C-O 3.5Å; W848-E853 VanDerWaalsContact CA-O 3.28Å; W848-E853 WeakPolarHBondContact CA-O 3.3Å; N849-E853 PolarHBondContact N-O 2.87Å; N849-E853 PolarHBondContact ND2-OE2 3.35Å; N849-E853 WeakPolarHBondContact OD1-CB 3.41Å; N849-E853 PolarHBondContact OD1-N 2.91Å; N849-E853 PolarHBondContact OD1-O 3.31Å; N851-E853 HydrophobicContact CB-CG 4.06Å; E853-I855 PolarHBondContact O-N 3.18Å; E853-I855 VanDerWaalsContact O-N 3.09Å; E853-Y868 HydrophobicContact CB-CD2 3.81Å; E853-Y868 HydrophobicContact CB-CE2 3.74Å; E853-Y868 HydrophobicContact CB-CG 4.46Å; E853-Y868 HydrophobicContact CG-CD2 4.37Å; E853-Y868 WeakPolarHBondContact OE1-CB 3.48Å | ||
| 854 | L | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 96.5 | 178.9 | -178 | 59.9 | 0 | 0 | 0 | 110.5 | Y846 T847 W848 I857 Y866 Y868 I1228 | Y846-L854 HydrophobicContact CD1-CD1 3.86Å; Y846-L854 HydrophobicContact CD1-CD2 3.92Å; Y846-L854 HydrophobicContact CE1-CD2 4.33Å; Y846-L854 HydrophobicContact CG-CD1 4.45Å; T847-L854 WeakPolarHBondContact O-CD1 3.15Å; W848-L854 HydrophobicContact CD2-CB 4.31Å; W848-L854 HydrophobicContact CD2-CD1 3.92Å; W848-L854 HydrophobicContact CE3-CB 3.77Å; W848-L854 HydrophobicContact CE3-CD1 4.26Å; W848-L854 HydrophobicContact CG-CD1 4.46Å; W848-L854 HydrophobicContact CH2-CB 4.02Å; W848-L854 HydrophobicContact CH2-CD1 4.24Å; W848-L854 HydrophobicContact CH2-CD2 4.39Å; W848-L854 HydrophobicContact CH2-CG 4.45Å; W848-L854 HydrophobicContact CZ2-CD1 3.88Å; W848-L854 HydrophobicContact CZ3-CB 3.62Å; W848-L854 HydrophobicContact CZ3-CD1 4.42Å; W848-L854 HydrophobicContact CZ3-CG 4.48Å; L854-I857 HydrophobicContact CD2-CD1 3.9Å; L854-I857 HydrophobicContact CD2-CG1 3.88Å; L854-I857 HydrophobicContact CG-CG1 4.36Å; L854-Y866 WeakPolarHBondContact O-CB 3.31Å; L854-Y866 WeakPolarHBondContact O-CD2 3.11Å; L854-Y868 PolarHBondContact O-OH 3.29Å; L854-I1228 HydrophobicContact CB-CG2 4.19Å; L854-I1228 HydrophobicContact CD2-CG2 3.71Å; L854-I1228 HydrophobicContact CG-CG2 4.25Å |
| 855 | I | 94.9 | Very high | 89.6 | Confident | 57 Ų | 57 | 44.8 Ų | 44.8 | 29% | 0.292 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -16.6 | -176.1 | 59.3 | 167.4 | 0 | 0 | 0 | 114.7 | T847 N849 E853 S865 Y866 Y868 | T847-I855 HydrophobicContact CG2-CD1 4.24Å; T847-I855 HydrophobicContact CG2-CG1 4.27Å; T847-I855 WeakPolarHBondContact O-CG1 3.17Å; T847-I855 PolarHBondContact O-N 3.12Å; N849-I855 HydrophobicContact CB-CD1 4.34Å; N849-I855 HydrophobicContact CB-CG2 3.78Å; E853-I855 PolarHBondContact O-N 3.18Å; E853-I855 VanDerWaalsContact O-N 3.09Å; I855-S865 CarbonylContact O-C 3.52Å; I855-S865 VanDerWaalsContact O-CA 3.29Å; I855-S865 WeakPolarHBondContact O-CA 3.4Å; I855-Y866 PolarHBondContact O-N 3.03Å; I855-Y868 HydrophobicContact CG2-CE2 4.48Å |
| 856 | R | 96.1 | Very high | 89.6 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 140.3 | 179.3 | -171.6 | 179.8 | 59.7 | 152.7 | 0.1 | 113.7 | T847 T863 R864 | T847-R856 PolarHBondContact N-O 2.91Å; T847-R856 PolarHBondContact O-N 2.89Å; T847-R856 VanDerWaalsContact O-N 3.09Å; T847-R856 PolarHBondContact OG1-NE 2.86Å; T847-R856 VanDerWaalsContact OG1-NE 3.08Å; T847-R856 PolarHBondContact OG1-NH2 2.96Å; R856-T863 HydrophobicContact CG-CG2 3.71Å; R856-R864 CarbonylContact C-O 3.54Å; R856-R864 VanDerWaalsContact CA-O 3.27Å; R856-R864 WeakPolarHBondContact CA-O 3.41Å; R856-R864 WeakPolarHBondContact CG-O 3.14Å |
| 857 | I | 95.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.3 | 162.8 | -60.8 | 169.3 | 0 | 0 | 0 | 108.1 | R844 D845 Y846 L854 T863 R864 Y866 | R844-I857 HydrophobicContact CB-CG2 4.32Å; R844-I857 HydrophobicContact CG-CG2 4.23Å; D845-I857 CarbonylContact O-C 3.59Å; D845-I857 WeakPolarHBondContact O-CA 3.49Å; Y846-I857 HydrophobicContact CD1-CD1 4.48Å; Y846-I857 HydrophobicContact CD1-CG1 3.93Å; Y846-I857 HydrophobicContact CE1-CD1 4.04Å; Y846-I857 HydrophobicContact CE1-CG1 3.92Å; L854-I857 HydrophobicContact CD2-CD1 3.9Å; L854-I857 HydrophobicContact CD2-CG1 3.88Å; L854-I857 HydrophobicContact CG-CG1 4.36Å; I857-T863 CarbonylContact O-C 3.5Å; I857-T863 WeakPolarHBondContact O-CA 3.28Å; I857-R864 PolarHBondContact N-O 3.34Å; I857-R864 PolarHBondContact O-N 3.04Å; I857-Y866 HydrophobicContact CD1-CE2 4.06Å; I857-Y866 HydrophobicContact CG1-CE2 4.06Å |
| 858 | S | 94.1 | Very high | 89.2 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134 | 175.7 | -79.4 | 0 | 0 | 0 | 0 | 110.5 | R844 D845 T863 | R844-S858 CarbonylContact C-O 3.56Å; R844-S858 WeakPolarHBondContact CA-O 3.19Å; D845-S858 PolarHBondContact N-O 2.84Å; D845-S858 PolarHBondContact O-N 3.01Å; S858-T863 WeakPolarHBondContact CB-OG1 3.4Å; S858-T863 VanDerWaalsContact OG-CG2 3.26Å; S858-T863 WeakPolarHBondContact OG-CG2 3.46Å; S858-T863 PolarHBondContact OG-OG1 2.9Å |
| 859 | S | 89.6 | Confident | 88.9 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -133.9 | 162.7 | 172.5 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | D843 R861 Q862 | D843-S859 VanDerWaalsContact O-CA 3.27Å; D843-S859 WeakPolarHBondContact O-CA 3.29Å; D843-S859 WeakPolarHBondContact O-CB 3.39Å; S859-R861 PolarHBondContact O-N 3.15Å; S859-R861 VanDerWaalsContact O-N 3.11Å; S859-Q862 PolarHBondContact N-O 2.64Å; S859-Q862 PolarHBondContact O-N 2.9Å; S859-Q862 PolarHBondContact OG-N 3.16Å; S859-Q862 VanDerWaalsContact OG-N 3.14Å; S859-Q862 PolarHBondContact OG-O 2.94Å | ||
| 860 | P | 85.7 | Confident | 88.4 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 58% | 0.584 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -62.4 | -17.7 | 178.5 | -29.7 | 40.7 | 0 | 0 | 0 | 115.4 | L840 D843 | L840-P860 WeakPolarHBondContact O-CG 3.32Å; D843-P860 HydrophobicContact CB-CG 4.18Å; D843-P860 WeakPolarHBondContact O-CD 3.44Å |
| 861 | R | 83.1 | Confident | 88.3 | Confident | 109 Ų | 109 | 41.7 Ų | 41.7 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -91.9 | -43.1 | 174.8 | -69.2 | -175.6 | 175.9 | -162.8 | -3.1 | 113 | S859 A881 E1169 | S859-R861 PolarHBondContact O-N 3.15Å; S859-R861 VanDerWaalsContact O-N 3.11Å; R861-A881 VanDerWaalsContact O-CB 3.27Å; R861-A881 WeakPolarHBondContact O-CB 3.47Å; R861-E1169 IonicContact NH1-OE1 2.82Å; R861-E1169 PolarHBondContact NH1-OE1 2.85Å; R861-E1169 IonicContact NH2-OE1 3.14Å |
| 862 | Q | 89.8 | Confident | 88.7 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | trans | -153 | 152 | -173.9 | 64.7 | -174.9 | -58.2 | 0 | 0 | 112.6 | S859 T880 A881 E1158 | S859-Q862 PolarHBondContact N-O 2.64Å; S859-Q862 PolarHBondContact O-N 2.9Å; S859-Q862 PolarHBondContact OG-N 3.16Å; S859-Q862 VanDerWaalsContact OG-N 3.14Å; S859-Q862 PolarHBondContact OG-O 2.94Å; Q862-T880 CarbonylContact C-O 3.57Å; Q862-T880 WeakPolarHBondContact CA-O 3.26Å; Q862-A881 HydrophobicContact CB-CB 4.19Å; Q862-E1158 VanDerWaalsContact NE2-CD 3.26Å; Q862-E1158 PolarHBondContact NE2-OE2 2.83Å | ||
| 863 | T | 94.2 | Very high | 89.1 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.6 | 168.3 | -71.7 | 0 | 0 | 0 | 0 | 109.9 | R856 I857 S858 T879 T880 | R856-T863 HydrophobicContact CG-CG2 3.71Å; I857-T863 CarbonylContact O-C 3.5Å; I857-T863 WeakPolarHBondContact O-CA 3.28Å; S858-T863 WeakPolarHBondContact CB-OG1 3.4Å; S858-T863 VanDerWaalsContact OG-CG2 3.26Å; S858-T863 WeakPolarHBondContact OG-CG2 3.46Å; S858-T863 PolarHBondContact OG-OG1 2.9Å; T863-T879 WeakPolarHBondContact O-CA 3.4Å; T863-T880 PolarHBondContact N-O 2.78Å; T863-T880 PolarHBondContact O-N 2.67Å; T863-T880 PolarHBondContact O-OG1 3.27Å |
| 864 | R | 94.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.5 | 172.6 | -63.5 | -169 | 175.1 | -147.6 | 2.9 | 109.7 | R856 I857 Y866 H878 T879 Y1159 E1161 L1166 | R856-R864 CarbonylContact C-O 3.54Å; R856-R864 VanDerWaalsContact CA-O 3.27Å; R856-R864 WeakPolarHBondContact CA-O 3.41Å; R856-R864 WeakPolarHBondContact CG-O 3.14Å; I857-R864 PolarHBondContact N-O 3.34Å; I857-R864 PolarHBondContact O-N 3.04Å; R864-Y866 HydrophobicContact CB-CE1 4.48Å; R864-Y866 HydrophobicContact CB-CE2 4.39Å; R864-H878 CarbonylContact C-O 3.56Å; R864-H878 WeakPolarHBondContact CA-O 3.29Å; R864-T879 HydrophobicContact CG-CG2 4.16Å; R864-Y1159 PolarHBondContact NH1-O 3.2Å; R864-Y1159 PolarHBondContact NH2-O 2.68Å; R864-Y1159 VanDerWaalsContact NH2-O 3.07Å; R864-E1161 WeakPolarHBondContact CD-OE1 3.32Å; R864-E1161 IonicContact CZ-OE1 3Å; R864-E1161 VanDerWaalsContact NH1-CD 3.29Å; R864-E1161 IonicContact NH1-OE1 2.72Å; R864-E1161 PolarHBondContact NH1-OE1 2.87Å; R864-E1161 IonicContact NH1-OE2 3.67Å; R864-E1161 PolarHBondContact NH1-OE2 3.06Å; R864-E1161 VanDerWaalsContact NH1-OE2 3.09Å; R864-L1166 VanDerWaalsContact NH2-CD1 3.26Å |
| 865 | S | 96.5 | Very high | 89.3 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.7 | 175.5 | -45.6 | 0 | 0 | 0 | 0 | 110 | I855 V877 H878 | I855-S865 CarbonylContact O-C 3.52Å; I855-S865 VanDerWaalsContact O-CA 3.29Å; I855-S865 WeakPolarHBondContact O-CA 3.4Å; S865-V877 CarbonylContact O-C 3.6Å; S865-V877 WeakPolarHBondContact O-CA 2.95Å; S865-H878 PolarHBondContact N-O 3.24Å; S865-H878 PolarHBondContact O-N 2.94Å |
| 866 | Y | 95.7 | Very high | 89.2 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.9 | -170.8 | -58.3 | -67.7 | 0 | 0 | 0 | 110.7 | L854 I855 I857 R864 L874 V877 E1161 I1228 | L854-Y866 WeakPolarHBondContact O-CB 3.31Å; L854-Y866 WeakPolarHBondContact O-CD2 3.11Å; I855-Y866 PolarHBondContact O-N 3.03Å; I857-Y866 HydrophobicContact CD1-CE2 4.06Å; I857-Y866 HydrophobicContact CG1-CE2 4.06Å; R864-Y866 HydrophobicContact CB-CE1 4.48Å; R864-Y866 HydrophobicContact CB-CE2 4.39Å; Y866-L874 HydrophobicContact CD1-CD1 3.91Å; Y866-L874 HydrophobicContact CG-CD1 4.37Å; Y866-V877 HydrophobicContact CD1-CG2 3.92Å; Y866-V877 HydrophobicContact CE1-CG1 4.2Å; Y866-V877 HydrophobicContact CE1-CG2 3.95Å; Y866-E1161 HydrophobicContact CD1-CG 4.37Å; Y866-E1161 HydrophobicContact CE1-CG 3.64Å; Y866-E1161 WeakPolarHBondContact CE1-OE1 3.47Å; Y866-E1161 PolarHBondContact OH-OE1 2.79Å; Y866-I1228 HydrophobicContact CD1-CG1 4.24Å; Y866-I1228 HydrophobicContact CD2-CG2 4.38Å; Y866-I1228 HydrophobicContact CE1-CD1 4.11Å; Y866-I1228 HydrophobicContact CE1-CG1 3.86Å; Y866-I1228 HydrophobicContact CE2-CG2 4.18Å |
| 867 | S | 93.1 | Very high | 89.1 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.8 | 169.7 | 63.2 | 0 | 0 | 0 | 0 | 110.6 | T875 G876 | S867-T875 WeakPolarHBondContact CB-OG1 3.41Å; S867-T875 PolarHBondContact O-N 3.07Å; S867-T875 PolarHBondContact O-OG1 2.99Å; S867-T875 PolarHBondContact OG-OG1 3.47Å; S867-G876 PolarHBondContact N-O 2.86Å; S867-G876 PolarHBondContact O-N 3.14Å; S867-G876 PolarHBondContact OG-N 3.2Å; S867-G876 PolarHBondContact OG-O 2.79Å |
| 868 | Y | 88.8 | Confident | 89.1 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 158.8 | -178.4 | -61.4 | -80.1 | 0 | 0 | 0 | 111.2 | E853 L854 I855 R873 L874 T875 N1226 | E853-Y868 HydrophobicContact CB-CD2 3.81Å; E853-Y868 HydrophobicContact CB-CE2 3.74Å; E853-Y868 HydrophobicContact CB-CG 4.46Å; E853-Y868 HydrophobicContact CG-CD2 4.37Å; E853-Y868 WeakPolarHBondContact OE1-CB 3.48Å; L854-Y868 PolarHBondContact O-OH 3.29Å; I855-Y868 HydrophobicContact CG2-CE2 4.48Å; Y868-R873 CarbonylContact C-O 3.58Å; Y868-R873 VanDerWaalsContact CA-O 3.27Å; Y868-R873 WeakPolarHBondContact CA-O 3.09Å; Y868-L874 HydrophobicContact CD1-CB 4.46Å; Y868-L874 HydrophobicContact CD1-CD1 4.37Å; Y868-L874 HydrophobicContact CE1-CB 4.3Å; Y868-L874 HydrophobicContact CE1-CD1 3.87Å; Y868-T875 PolarHBondContact N-OG1 2.86Å; Y868-N1226 WeakPolarHBondContact CE1-OD1 3.42Å; Y868-N1226 PolarHBondContact OH-OD1 3.36Å |
| 869 | S | 84.1 | Confident | 89 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | trans | -81.4 | 167.4 | 165.9 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | T871 G872 R873 | S869-T871 PolarHBondContact O-N 3.17Å; S869-T871 PolarHBondContact OG-N 2.99Å; S869-T871 VanDerWaalsContact OG-N 3.16Å; S869-T871 PolarHBondContact OG-OG1 2.96Å; S869-G872 PolarHBondContact O-N 3.37Å; S869-G872 PolarHBondContact OG-N 3.04Å; S869-R873 PolarHBondContact N-O 2.77Å; S869-R873 WeakPolarHBondContact OG-CB 3.24Å; S869-R873 PolarHBondContact OG-N 3.36Å; S869-R873 VanDerWaalsContact OG-N 3.11Å | ||
| 870 | T | 77 | Confident | 89.3 | Confident | 84 Ų | 84 | 37.1 Ų | 37.1 | 52% | 0.515 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 3.9 | 167 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | G618 | G618-T870 VanDerWaalsContact CA-OG1 3.28Å; G618-T870 WeakPolarHBondContact CA-OG1 3.23Å |
| 871 | T | 76.1 | Confident | 89.4 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 9.5 | 173 | 62 | 0 | 0 | 0 | 0 | 113 | Q617 L620 S869 R873 | Q617-T871 HydrophobicContact CB-CG2 4.02Å; Q617-T871 HydrophobicContact CG-CG2 3.89Å; Q617-T871 VanDerWaalsContact O-CG2 3.3Å; Q617-T871 WeakPolarHBondContact O-CG2 3.48Å; L620-T871 HydrophobicContact CD1-CG2 3.98Å; L620-T871 HydrophobicContact CG-CG2 4.25Å; S869-T871 PolarHBondContact O-N 3.17Å; S869-T871 PolarHBondContact OG-N 2.99Å; S869-T871 VanDerWaalsContact OG-N 3.16Å; S869-T871 PolarHBondContact OG-OG1 2.96Å; T871-R873 VanDerWaalsContact C-N 3.28Å; T871-R873 PolarHBondContact O-N 2.86Å; T871-R873 WeakPolarHBondContact OG1-CD 3.36Å; T871-R873 WeakPolarHBondContact OG1-CG 3.37Å |
| 872 | G | 80 | Confident | 89.6 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 76.3 | 5.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S869 | S869-G872 PolarHBondContact O-N 3.37Å; S869-G872 PolarHBondContact OG-N 3.04Å |
| 873 | R | 86.3 | Confident | 89.5 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -80.9 | 137.7 | 179.7 | -56.5 | 176.3 | -179.7 | -174.5 | 0.1 | 109.9 | L620 E638 Y868 S869 T871 T875 D893 P894 L1225 | L620-R873 VanDerWaalsContact CD1-CZ 3.49Å; E638-R873 IonicContact OE1-NH2 3.37Å; E638-R873 PolarHBondContact OE1-NH2 2.92Å; Y868-R873 CarbonylContact C-O 3.58Å; Y868-R873 VanDerWaalsContact CA-O 3.27Å; Y868-R873 WeakPolarHBondContact CA-O 3.09Å; S869-R873 PolarHBondContact N-O 2.77Å; S869-R873 WeakPolarHBondContact OG-CB 3.24Å; S869-R873 PolarHBondContact OG-N 3.36Å; S869-R873 VanDerWaalsContact OG-N 3.11Å; T871-R873 VanDerWaalsContact C-N 3.28Å; T871-R873 PolarHBondContact O-N 2.86Å; T871-R873 WeakPolarHBondContact OG1-CD 3.36Å; T871-R873 WeakPolarHBondContact OG1-CG 3.37Å; R873-T875 PolarHBondContact O-N 3.24Å; R873-D893 PolarHBondContact NH1-O 3.35Å; R873-D893 VanDerWaalsContact NH1-O 3.1Å; R873-P894 PolarHBondContact NH1-O 3.02Å; R873-P894 PolarHBondContact NH2-O 3.01Å; R873-L1225 HydrophobicContact CB-CB 4.24Å; R873-L1225 HydrophobicContact CG-CB 3.93Å; R873-L1225 HydrophobicContact CG-CD1 3.84Å | ||
| 874 | L | 89.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 119.8 | 175.6 | -175.5 | 71.8 | 0 | 0 | 0 | 110.4 | Y866 Y868 V877 Y890 E1161 L1225 P1227 | Y866-L874 HydrophobicContact CD1-CD1 3.91Å; Y866-L874 HydrophobicContact CG-CD1 4.37Å; Y868-L874 HydrophobicContact CD1-CB 4.46Å; Y868-L874 HydrophobicContact CD1-CD1 4.37Å; Y868-L874 HydrophobicContact CE1-CB 4.3Å; Y868-L874 HydrophobicContact CE1-CD1 3.87Å; L874-V877 HydrophobicContact CD2-CG2 4.37Å; L874-Y890 HydrophobicContact CD2-CD2 3.71Å; L874-Y890 HydrophobicContact CD2-CE2 3.73Å; L874-Y890 HydrophobicContact CG-CD2 3.96Å; L874-Y890 HydrophobicContact CG-CE2 4.42Å; L874-E1161 HydrophobicContact CD2-CB 4.16Å; L874-E1161 HydrophobicContact CD2-CG 4.04Å; L874-L1225 PolarHBondContact N-O 3.47Å; L874-P1227 HydrophobicContact CD2-CG 4.41Å |
| 875 | T | 91.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -13.3 | -178.6 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | S867 Y868 R873 Y890 | S867-T875 WeakPolarHBondContact CB-OG1 3.41Å; S867-T875 PolarHBondContact O-N 3.07Å; S867-T875 PolarHBondContact O-OG1 2.99Å; S867-T875 PolarHBondContact OG-OG1 3.47Å; Y868-T875 PolarHBondContact N-OG1 2.86Å; R873-T875 PolarHBondContact O-N 3.24Å; T875-Y890 PolarHBondContact O-N 3.29Å |
| 876 | G | 91.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 166.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S867 I888 | S867-G876 PolarHBondContact N-O 2.86Å; S867-G876 PolarHBondContact O-N 3.14Å; S867-G876 PolarHBondContact OG-N 3.2Å; S867-G876 PolarHBondContact OG-O 2.79Å; G876-I888 CarbonylContact C-O 3.55Å; G876-I888 WeakPolarHBondContact CA-O 3.22Å |
| 877 | V | 94.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.4 | -180 | 179.4 | 0 | 0 | 0 | 0 | 109 | S865 Y866 L874 R887 I888 Y890 E1161 | S865-V877 CarbonylContact O-C 3.6Å; S865-V877 WeakPolarHBondContact O-CA 2.95Å; Y866-V877 HydrophobicContact CD1-CG2 3.92Å; Y866-V877 HydrophobicContact CE1-CG1 4.2Å; Y866-V877 HydrophobicContact CE1-CG2 3.95Å; L874-V877 HydrophobicContact CD2-CG2 4.37Å; V877-R887 CarbonylContact O-C 3.52Å; V877-R887 WeakPolarHBondContact O-CA 3.34Å; V877-I888 PolarHBondContact N-O 3.24Å; V877-I888 PolarHBondContact O-N 2.78Å; V877-Y890 HydrophobicContact CG2-CD2 4.36Å; V877-Y890 HydrophobicContact CG2-CE2 3.58Å; V877-E1161 VanDerWaalsContact CG2-CD 3.5Å; V877-E1161 HydrophobicContact CG2-CG 3.52Å |
| 878 | H | 95 | Very high | 88.2 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 107.4 | 171.2 | -177 | -152 | 0 | 0 | 0 | 109.3 | R864 S865 T880 D885 R887 | R864-H878 CarbonylContact C-O 3.56Å; R864-H878 WeakPolarHBondContact CA-O 3.29Å; S865-H878 PolarHBondContact N-O 3.24Å; S865-H878 PolarHBondContact O-N 2.94Å; H878-T880 WeakPolarHBondContact NE2-CG2 3.29Å; H878-D885 IonicContact CD2-OD1 2.72Å; H878-D885 PolarHBondContact CD2-OD1 2.84Å; H878-D885 IonicContact CE1-OD1 3.68Å; H878-D885 IonicContact NE2-OD1 2.77Å; H878-D885 PolarHBondContact NE2-OD1 3.36Å; H878-R887 HydrophobicContact CB-CG 4.3Å; H878-R887 PolarHBondContact CE1-NH2 3Å; H878-R887 PolarHBondContact ND1-NH2 2.78Å |
| 879 | T | 94 | Very high | 88.2 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.7 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | T863 R864 L884 D885 I886 | T863-T879 WeakPolarHBondContact O-CA 3.4Å; R864-T879 HydrophobicContact CG-CG2 4.16Å; T879-L884 HydrophobicContact CG2-CD2 3.98Å; T879-D885 WeakPolarHBondContact O-CA 3.29Å; T879-I886 PolarHBondContact N-O 2.91Å; T879-I886 PolarHBondContact O-N 3.38Å |
| 880 | T | 94.3 | Very high | 88.3 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136 | -178.6 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | Q862 T863 H878 L884 | Q862-T880 CarbonylContact C-O 3.57Å; Q862-T880 WeakPolarHBondContact CA-O 3.26Å; T863-T880 PolarHBondContact N-O 2.78Å; T863-T880 PolarHBondContact O-N 2.67Å; T863-T880 PolarHBondContact O-OG1 3.27Å; H878-T880 WeakPolarHBondContact NE2-CG2 3.29Å; T880-L884 CarbonylContact C-O 3.49Å; T880-L884 WeakPolarHBondContact CA-O 3.4Å |
| 881 | A | 88.6 | Confident | 88.7 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | R861 Q862 N883 L884 | R861-A881 VanDerWaalsContact O-CB 3.27Å; R861-A881 WeakPolarHBondContact O-CB 3.47Å; Q862-A881 HydrophobicContact CB-CB 4.19Å; A881-N883 PolarHBondContact O-N 3.4Å; A881-L884 HydrophobicContact CB-CB 3.91Å; A881-L884 PolarHBondContact N-O 3.37Å; A881-L884 PolarHBondContact O-N 3Å; A881-L884 VanDerWaalsContact O-N 3.12Å; A881-L884 VanDerWaalsContact O-O 3.06Å |
| 882 | A | 87.1 | Confident | 89.3 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 86% | 0.86 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 883 | N | 88 | Confident | 89.7 | Confident | 168 Ų | 168 | 54 Ų | 54 | 90% | 0.898 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | 19.1 | 178.6 | -61.1 | -38.7 | 0 | 0 | 0 | 112.8 | A881 | A881-N883 PolarHBondContact O-N 3.4Š|
| 884 | L | 86.9 | Confident | 89.8 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.3 | -173.9 | -165.8 | 70 | 0 | 0 | 0 | 110.5 | T879 T880 A881 I886 | T879-L884 HydrophobicContact CG2-CD2 3.98Å; T880-L884 CarbonylContact C-O 3.49Å; T880-L884 WeakPolarHBondContact CA-O 3.4Å; A881-L884 HydrophobicContact CB-CB 3.91Å; A881-L884 PolarHBondContact N-O 3.37Å; A881-L884 PolarHBondContact O-N 3Å; A881-L884 VanDerWaalsContact O-N 3.12Å; A881-L884 VanDerWaalsContact O-O 3.06Å; L884-I886 HydrophobicContact CD1-CD1 3.52Å; L884-I886 HydrophobicContact CD1-CG1 3.83Å; L884-I886 HydrophobicContact CG-CD1 4.21Å; L884-I886 HydrophobicContact CG-CG1 4.15Å |
| 885 | D | 92 | Very high | 89.7 | Confident | 115 Ų | 115 | 54.9 Ų | 54.9 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143 | 99.5 | 169.5 | -170.7 | -7.3 | 0 | 0 | 0 | 107.3 | H878 T879 | H878-D885 IonicContact CD2-OD1 2.72Å; H878-D885 PolarHBondContact CD2-OD1 2.84Å; H878-D885 IonicContact CE1-OD1 3.68Å; H878-D885 IonicContact NE2-OD1 2.77Å; H878-D885 PolarHBondContact NE2-OD1 3.36Å; T879-D885 WeakPolarHBondContact O-CA 3.29Å |
| 886 | I | 89.7 | Confident | 89.5 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 42% | 0.415 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.2 | -175.7 | -63.2 | -175.5 | 0 | 0 | 0 | 109.3 | T879 L884 I888 | T879-I886 PolarHBondContact N-O 2.91Å; T879-I886 PolarHBondContact O-N 3.38Å; L884-I886 HydrophobicContact CD1-CD1 3.52Å; L884-I886 HydrophobicContact CD1-CG1 3.83Å; L884-I886 HydrophobicContact CG-CD1 4.21Å; L884-I886 HydrophobicContact CG-CG1 4.15Å; I886-I888 HydrophobicContact CG2-CD1 4.42Å; I886-I888 HydrophobicContact CG2-CG1 3.87Å |
| 887 | R | 90.6 | Very high | 89.4 | Confident | 163 Ų | 163 | 52.3 Ų | 52.3 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.9 | 167.3 | -65.7 | 176.5 | -175.9 | -84 | -7 | 108.4 | V877 H878 | V877-R887 CarbonylContact O-C 3.52Å; V877-R887 WeakPolarHBondContact O-CA 3.34Å; H878-R887 HydrophobicContact CB-CG 4.3Å; H878-R887 PolarHBondContact CE1-NH2 3Å; H878-R887 PolarHBondContact ND1-NH2 2.78Å |
| 888 | I | 87.7 | Confident | 89 | Confident | 64 Ų | 64 | 54 Ų | 54 | 33% | 0.328 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 111 | 175 | -55.9 | 179.6 | 0 | 0 | 0 | 106.7 | G876 V877 I886 Y890 | G876-I888 CarbonylContact C-O 3.55Å; G876-I888 WeakPolarHBondContact CA-O 3.22Å; V877-I888 PolarHBondContact N-O 3.24Å; V877-I888 PolarHBondContact O-N 2.78Å; I886-I888 HydrophobicContact CG2-CD1 4.42Å; I886-I888 HydrophobicContact CG2-CG1 3.87Å; I888-Y890 HydrophobicContact CG2-CD1 4.45Å; I888-Y890 HydrophobicContact CG2-CE1 3.85Å |
| 889 | P | 88.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 144.2 | 171.8 | 31.3 | -32.3 | 0 | 0 | 0 | 110.7 | E903 | P889-E903 HydrophobicContact CG-CG 4.32Å |
| 890 | Y | 86.6 | Confident | 87.8 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -117.6 | 105.4 | 170 | -67.6 | -54.4 | 0 | 0 | 0 | 109.8 | L874 T875 V877 I888 W1162 | L874-Y890 HydrophobicContact CD2-CD2 3.71Å; L874-Y890 HydrophobicContact CD2-CE2 3.73Å; L874-Y890 HydrophobicContact CG-CD2 3.96Å; L874-Y890 HydrophobicContact CG-CE2 4.42Å; T875-Y890 PolarHBondContact O-N 3.29Å; V877-Y890 HydrophobicContact CG2-CD2 4.36Å; V877-Y890 HydrophobicContact CG2-CE2 3.58Å; I888-Y890 HydrophobicContact CG2-CD1 4.45Å; I888-Y890 HydrophobicContact CG2-CE1 3.85Å; Y890-W1162 AromaticContact CD1-NE1 3.9Å; Y890-W1162 AromaticContact CD2-NE1 3.96Å; Y890-W1162 AromaticContact CE1-CD1 3.96Å; Y890-W1162 AromaticContact CE1-NE1 3.41Å; Y890-W1162 AromaticContact CE2-NE1 3.46Å; Y890-W1162 AromaticContact CZ-CD1 3.66Å; Y890-W1162 AromaticContact CZ-NE1 3.19Å | ||
| 891 | A | 85.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | trans | -91.6 | 127.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R898 L899 P902 | A891-R898 WeakPolarHBondContact O-CA 3.49Å; A891-L899 HydrophobicContact CB-CB 4.13Å; A891-L899 PolarHBondContact O-N 3.11Å; A891-P902 HydrophobicContact CB-CG 4.2Å | ||
| 892 | T | 88 | Confident | 85.9 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -122.5 | 147.8 | 169.6 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | N897 | T892-N897 CarbonylContact C-O 3.49Å; T892-N897 WeakPolarHBondContact CA-O 3.01Å |
| 893 | D | 89.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -69.1 | 173.9 | 167 | 84.1 | 0.9 | 0 | 0 | 0 | 112.1 | R873 A895 G896 N897 L899 S911 M912 W913 | R873-D893 PolarHBondContact NH1-O 3.35Å; R873-D893 VanDerWaalsContact NH1-O 3.1Å; D893-A895 PolarHBondContact O-N 3.34Å; D893-A895 VanDerWaalsContact O-N 3.17Å; D893-A895 WeakPolarHBondContact OD1-CA 3.3Å; D893-A895 PolarHBondContact OD1-N 3.22Å; D893-G896 PolarHBondContact O-N 3.35Å; D893-G896 PolarHBondContact OD1-N 3.11Å; D893-N897 VanDerWaalsContact CG-ND2 3.31Å; D893-N897 PolarHBondContact N-O 2.64Å; D893-N897 WeakPolarHBondContact OD1-CB 3.34Å; D893-N897 PolarHBondContact OD1-N 3.37Å; D893-N897 PolarHBondContact OD1-ND2 3.13Å; D893-N897 PolarHBondContact OD2-ND2 3.23Å; D893-L899 HydrophobicContact CB-CD1 4.31Å; D893-L899 HydrophobicContact CB-CD2 4.16Å; D893-L899 HydrophobicContact CB-CG 4.25Å; D893-S911 WeakPolarHBondContact CB-O 3.45Å; D893-M912 HydrophobicContact CB-CB 4.02Å; D893-M912 WeakPolarHBondContact OD2-CA 3.45Å; D893-W913 PolarHBondContact OD2-N 3.31Å | ||
| 894 | P | 88.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.4 | 179.6 | -30.6 | 38.8 | 0 | 0 | 0 | 114.4 | L620 E638 N639 R873 G896 | L620-P894 HydrophobicContact CD2-CB 4.05Å; E638-P894 VanDerWaalsContact C-CB 3.43Å; E638-P894 HydrophobicContact CB-CB 3.8Å; E638-P894 VanDerWaalsContact CB-O 3.32Å; E638-P894 WeakPolarHBondContact CB-O 3.43Å; E638-P894 WeakPolarHBondContact O-CB 3.39Å; N639-P894 HydrophobicContact CB-CB 4.18Å; R873-P894 PolarHBondContact NH1-O 3.02Å; R873-P894 PolarHBondContact NH2-O 3.01Å; P894-G896 VanDerWaalsContact C-N 3.29Å; P894-G896 PolarHBondContact O-N 2.99Å |
| 895 | A | 86.7 | Confident | 83.3 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | N639 D893 N916 N1219 | N639-A895 HydrophobicContact CB-CB 3.95Å; D893-A895 PolarHBondContact O-N 3.34Å; D893-A895 VanDerWaalsContact O-N 3.17Å; D893-A895 WeakPolarHBondContact OD1-CA 3.3Å; D893-A895 PolarHBondContact OD1-N 3.22Å; A895-N916 VanDerWaalsContact CB-OD1 3.26Å; A895-N916 WeakPolarHBondContact CB-OD1 3.4Å; A895-N1219 PolarHBondContact O-ND2 2.77Å |
| 896 | G | 87.7 | Confident | 82.2 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 86.8 | 5.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D893 P894 L1225 | D893-G896 PolarHBondContact O-N 3.35Å; D893-G896 PolarHBondContact OD1-N 3.11Å; P894-G896 VanDerWaalsContact C-N 3.29Å; P894-G896 PolarHBondContact O-N 2.99Å; G896-L1225 WeakPolarHBondContact O-CD2 3.11Å |
| 897 | N | 88.9 | Confident | 81.4 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 134.5 | 173.6 | -53.2 | -67.9 | 0 | 0 | 0 | 109.3 | T892 D893 W913 N916 R1205 N1219 | T892-N897 CarbonylContact C-O 3.49Å; T892-N897 WeakPolarHBondContact CA-O 3.01Å; D893-N897 VanDerWaalsContact CG-ND2 3.31Å; D893-N897 PolarHBondContact N-O 2.64Å; D893-N897 WeakPolarHBondContact OD1-CB 3.34Å; D893-N897 PolarHBondContact OD1-N 3.37Å; D893-N897 PolarHBondContact OD1-ND2 3.13Å; D893-N897 PolarHBondContact OD2-ND2 3.23Å; N897-W913 VanDerWaalsContact CB-CD1 3.47Å; N897-W913 HydrophobicContact CB-CG 4.34Å; N897-N916 PolarHBondContact ND2-OD1 3.16Å; N897-N916 PolarHBondContact OD1-O 2.6Å; N897-R1205 PolarHBondContact OD1-NH2 3.08Å; N897-N1219 PolarHBondContact OD1-ND2 2.74Å |
| 898 | R | 86 | Confident | 80.5 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 143.1 | 173.2 | -67.8 | -155.9 | -161.1 | 157.7 | 18.3 | 111.8 | A891 W913 W1162 L1202 Q1203 | A891-R898 WeakPolarHBondContact O-CA 3.49Å; R898-W913 PolarHBondContact O-NE1 3.14Å; R898-W1162 VanDerWaalsContact NH2-CD1 3.29Å; R898-W1162 VanDerWaalsContact NH2-CE2 3.26Å; R898-L1202 PolarHBondContact NH1-O 2.83Å; R898-Q1203 WeakPolarHBondContact CD-O 3.44Å; R898-Q1203 WeakPolarHBondContact CG-O 3.37Å; R898-Q1203 PolarHBondContact NE-O 2.8Å |
| 899 | L | 86.8 | Confident | 79.9 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 159.9 | 171.5 | -67.2 | 173.8 | 0 | 0 | 0 | 109.9 | A891 D893 L910 | A891-L899 HydrophobicContact CB-CB 4.13Å; A891-L899 PolarHBondContact O-N 3.11Å; D893-L899 HydrophobicContact CB-CD1 4.31Å; D893-L899 HydrophobicContact CB-CD2 4.16Å; D893-L899 HydrophobicContact CB-CG 4.25Å; L899-L910 HydrophobicContact CD2-CD2 4.34Å; L899-L910 HydrophobicContact CD2-CG 4.27Å |
| 900 | P | 77 | Confident | 79.5 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 13% | 0.13 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -54 | 141.9 | 170 | -23.9 | 34.2 | 0 | 0 | 0 | 111.2 | P902 H905 L910 | P900-P902 WeakPolarHBondContact O-CD 3.38Å; P900-H905 HydrophobicContact CB-CB 4.28Å; P900-L910 HydrophobicContact CG-CD2 4.46Å |
| 901 | D | 74.2 | Confident | 79.2 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 120.1 | -179.9 | -175.6 | -20.4 | 0 | 0 | 0 | 110.6 | E903 L904 H905 | D901-E903 PolarHBondContact O-N 3.21Å; D901-E903 PolarHBondContact OD1-N 3.46Å; D901-L904 HydrophobicContact CB-CB 4.13Å; D901-L904 HydrophobicContact CB-CD1 4.06Å; D901-L904 HydrophobicContact CB-CG 4.13Å; D901-L904 PolarHBondContact O-N 2.89Å; D901-H905 PolarHBondContact O-N 3.44Å |
| 902 | P | 68.5 | Low | 79.2 | Confident | 68 Ų | 68 | 60 Ų | 60 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.9 | 179.3 | -23.5 | 34.6 | 0 | 0 | 0 | 114.6 | A891 P900 P906 | A891-P902 HydrophobicContact CB-CG 4.2Å; P900-P902 WeakPolarHBondContact O-CD 3.38Å; P902-P906 WeakPolarHBondContact O-CA 3.39Å |
| 903 | E | 70 | Confident | 79.1 | Confident | 142 Ų | 142 | 58.9 Ų | 58.9 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -33.7 | 177.9 | -63 | -169 | -174.5 | 0 | 0 | 111.8 | P889 D901 | P889-E903 HydrophobicContact CG-CG 4.32Å; D901-E903 PolarHBondContact O-N 3.21Å; D901-E903 PolarHBondContact OD1-N 3.46Å |
| 904 | L | 66.8 | Low | 78.5 | Confident | 113 Ų | 113 | 63 Ų | 63 | 59% | 0.592 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -28.2 | 176.5 | -60.7 | 176.7 | 0 | 0 | 0 | 112.9 | D901 P906 | D901-L904 HydrophobicContact CB-CB 4.13Å; D901-L904 HydrophobicContact CB-CD1 4.06Å; D901-L904 HydrophobicContact CB-CG 4.13Å; D901-L904 PolarHBondContact O-N 2.89Å; L904-P906 VanDerWaalsContact C-CD 3.49Å |
| 905 | H | 70.1 | Confident | 78.2 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | trans | -132.1 | 61.5 | -177.1 | -57.3 | -66.5 | 0 | 0 | 0 | 112.4 | P900 D901 D907 S908 A922 | P900-H905 HydrophobicContact CB-CB 4.28Å; D901-H905 PolarHBondContact O-N 3.44Å; H905-D907 PolarHBondContact O-N 3.22Å; H905-D907 VanDerWaalsContact O-N 3.15Å; H905-S908 WeakPolarHBondContact O-CB 3.06Å; H905-S908 PolarHBondContact O-N 2.74Å; H905-A922 WeakPolarHBondContact NE2-CA 3.39Å; H905-A922 WeakPolarHBondContact NE2-CB 3.34Å | ||
| 906 | P | 70 | Confident | 78.3 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24 | -179.1 | 26.2 | -36 | 0 | 0 | 0 | 113.4 | P902 L904 S908 | P902-P906 WeakPolarHBondContact O-CA 3.39Å; L904-P906 VanDerWaalsContact C-CD 3.49Å; P906-S908 VanDerWaalsContact C-N 3.29Å; P906-S908 PolarHBondContact O-N 2.67Å |
| 907 | D | 73.4 | Confident | 78.4 | Confident | 154 Ų | 154 | 65.1 Ų | 65.1 | 82% | 0.824 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.6 | 175.7 | -60.5 | -43.6 | 0 | 0 | 0 | 113.5 | H905 T909 | H905-D907 PolarHBondContact O-N 3.22Å; H905-D907 VanDerWaalsContact O-N 3.15Å; D907-T909 PolarHBondContact O-N 2.79Å; D907-T909 VanDerWaalsContact O-N 3.16Å |
| 908 | S | 70.7 | Confident | 78.4 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | trans | -70 | 109.6 | 179 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | H905 P906 L910 | H905-S908 WeakPolarHBondContact O-CB 3.06Å; H905-S908 PolarHBondContact O-N 2.74Å; P906-S908 VanDerWaalsContact C-N 3.29Å; P906-S908 PolarHBondContact O-N 2.67Å; S908-L910 PolarHBondContact O-N 2.86Å | ||
| 909 | T | 75.2 | Confident | 78.5 | Confident | 139 Ų | 139 | 65.7 Ų | 65.7 | 85% | 0.853 | 38% | 0.375 | S | S | * | . | trans | -83.1 | 4.9 | 174 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | D907 S911 | D907-T909 PolarHBondContact O-N 2.79Å; D907-T909 VanDerWaalsContact O-N 3.16Å; T909-S911 PolarHBondContact O-N 2.9Å | ||
| 910 | L | 79 | Confident | 78.4 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | trans | -78.9 | 115.1 | -177.2 | -175.2 | 71.5 | 0 | 0 | 0 | 111.3 | L899 P900 S908 M912 W913 | L899-L910 HydrophobicContact CD2-CD2 4.34Å; L899-L910 HydrophobicContact CD2-CG 4.27Å; P900-L910 HydrophobicContact CG-CD2 4.46Å; S908-L910 PolarHBondContact O-N 2.86Å; L910-M912 WeakPolarHBondContact CD1-O 3.29Å; L910-W913 HydrophobicContact CD2-CD2 4.22Å; L910-W913 HydrophobicContact CD2-CE3 4.28Å; L910-W913 HydrophobicContact CD2-CH2 3.44Å; L910-W913 VanDerWaalsContact CD2-CH2 3.44Å; L910-W913 HydrophobicContact CD2-CZ2 3.37Å; L910-W913 HydrophobicContact CD2-CZ3 3.89Å | ||
| 911 | S | 80.7 | Confident | 78.5 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | trans | -103.2 | -17.6 | 179.7 | 56 | 0 | 0 | 0 | 0 | 115.1 | D893 T909 | D893-S911 WeakPolarHBondContact CB-O 3.45Å; T909-S911 PolarHBondContact O-N 2.9Å | ||
| 912 | M | 86.4 | Confident | 78.5 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 29% | 0.286 | 39% | 0.389 | S | S | . | . | trans | -164.8 | 158.1 | -176.8 | 54.7 | 174 | -83.8 | 0 | 0 | 113.4 | N639 D893 L910 P914 | N639-M912 HydrophobicContact CB-CE 4.16Å; N639-M912 WeakPolarHBondContact O-CE 3.45Å; D893-M912 HydrophobicContact CB-CB 4.02Å; D893-M912 WeakPolarHBondContact OD2-CA 3.45Å; L910-M912 WeakPolarHBondContact CD1-O 3.29Å; M912-P914 HydrophobicContact CE-CB 4.23Å; M912-P914 HydrophobicContact CE-CG 4.24Å | ||
| 913 | W | 86.2 | Confident | 78.9 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 6% | 0.064 | 39% | 0.394 | C | S | . | . | trans | -101.4 | 112.2 | 168.5 | -59.4 | 99 | 0 | 0 | 0 | 109.7 | N639 D893 N897 R898 L910 D915 N916 R917 I918 A919 R920 | N639-W913 PolarHBondContact ND2-O 2.87Å; D893-W913 PolarHBondContact OD2-N 3.31Å; N897-W913 VanDerWaalsContact CB-CD1 3.47Å; N897-W913 HydrophobicContact CB-CG 4.34Å; R898-W913 PolarHBondContact O-NE1 3.14Å; L910-W913 HydrophobicContact CD2-CD2 4.22Å; L910-W913 HydrophobicContact CD2-CE3 4.28Å; L910-W913 HydrophobicContact CD2-CH2 3.44Å; L910-W913 VanDerWaalsContact CD2-CH2 3.44Å; L910-W913 HydrophobicContact CD2-CZ2 3.37Å; L910-W913 HydrophobicContact CD2-CZ3 3.89Å; W913-D915 PolarHBondContact O-N 3.02Å; W913-N916 PolarHBondContact O-N 2.89Å; W913-R917 VanDerWaalsContact CE3-O 3.31Å; W913-I918 HydrophobicContact CD2-CB 4.48Å; W913-I918 HydrophobicContact CD2-CG2 4.08Å; W913-I918 HydrophobicContact CG-CG2 4.34Å; W913-I918 HydrophobicContact CH2-CB 4.48Å; W913-I918 HydrophobicContact CZ2-CB 4.06Å; W913-I918 HydrophobicContact CZ2-CG2 3.82Å; W913-A919 HydrophobicContact CH2-CB 4.26Å; W913-A919 VanDerWaalsContact CH2-N 3.3Å; W913-A919 HydrophobicContact CZ3-CB 3.66Å; W913-R920 HydrophobicContact CH2-CG 4.26Å; W913-R920 WeakPolarHBondContact CH2-O 3.4Å; W913-R920 WeakPolarHBondContact CZ2-O 3.28Å | ||
| 914 | P | 75.1 | Confident | 79.7 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -11.5 | -169.3 | -25.1 | 34.8 | 0 | 0 | 0 | 117.2 | S641 M912 | S641-P914 VanDerWaalsContact OG-C 3.29Å; S641-P914 PolarHBondContact OG-O 2.7Å; M912-P914 HydrophobicContact CE-CB 4.23Å; M912-P914 HydrophobicContact CE-CG 4.24Å |
| 915 | D | 82.9 | Confident | 80.8 | Confident | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | 17.1 | -177.1 | 62.1 | -1.7 | 0 | 0 | 0 | 112.1 | W913 R917 | W913-D915 PolarHBondContact O-N 3.02Å; D915-R917 PolarHBondContact O-N 2.99Å; D915-R917 VanDerWaalsContact O-N 3.1Å; D915-R917 WeakPolarHBondContact OD1-CB 3.21Å; D915-R917 PolarHBondContact OD1-N 2.88Å; D915-R917 IonicContact OD2-CZ 2.79Å; D915-R917 IonicContact OD2-NE 3.14Å; D915-R917 PolarHBondContact OD2-NE 3.28Å; D915-R917 IonicContact OD2-NH2 3.68Å; D915-R917 PolarHBondContact OD2-NH2 2.87Å |
| 916 | N | 88.2 | Confident | 81.9 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 61.6 | 0.4 | -171.6 | -57.1 | -43.8 | 0 | 0 | 0 | 116.1 | N639 A895 N897 W913 R1205 W1218 Y1221 | N639-N916 PolarHBondContact ND2-OD1 3.12Å; A895-N916 VanDerWaalsContact CB-OD1 3.26Å; A895-N916 WeakPolarHBondContact CB-OD1 3.4Å; N897-N916 PolarHBondContact ND2-OD1 3.16Å; N897-N916 PolarHBondContact OD1-O 2.6Å; W913-N916 PolarHBondContact O-N 2.89Å; N916-R1205 VanDerWaalsContact O-CZ 3.25Å; N916-R1205 PolarHBondContact O-NH1 2.72Å; N916-R1205 PolarHBondContact O-NH2 3.38Å; N916-W1218 PolarHBondContact ND2-O 3.5Å; N916-Y1221 HydrophobicContact CB-CD2 4.16Å |
| 917 | R | 89.8 | Confident | 83.1 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 21% | 0.208 | 34% | 0.341 | C | S | . | . | trans | -85.4 | 122.3 | 175.8 | -65.8 | -176.8 | -72.6 | -144.4 | -11.3 | 110.7 | D660 W913 D915 Y928 Y1221 | D660-R917 PolarHBondContact O-NH2 2.9Å; W913-R917 VanDerWaalsContact CE3-O 3.31Å; D915-R917 PolarHBondContact O-N 2.99Å; D915-R917 VanDerWaalsContact O-N 3.1Å; D915-R917 WeakPolarHBondContact OD1-CB 3.21Å; D915-R917 PolarHBondContact OD1-N 2.88Å; D915-R917 IonicContact OD2-CZ 2.79Å; D915-R917 IonicContact OD2-NE 3.14Å; D915-R917 PolarHBondContact OD2-NE 3.28Å; D915-R917 IonicContact OD2-NH2 3.68Å; D915-R917 PolarHBondContact OD2-NH2 2.87Å; R917-Y928 HydrophobicContact CB-CD2 4.15Å; R917-Y928 HydrophobicContact CB-CE2 3.98Å; R917-Y928 HydrophobicContact CG-CD1 4.3Å; R917-Y928 HydrophobicContact CG-CD2 4.33Å; R917-Y928 HydrophobicContact CG-CE1 4.35Å; R917-Y928 HydrophobicContact CG-CE2 4.43Å; R917-Y928 HydrophobicContact CG-CG 4.31Å; R917-Y1221 HydrophobicContact CG-CE2 3.81Å; R917-Y1221 WeakPolarHBondContact CG-OH 3.47Å | ||
| 918 | I | 88.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | trans | -71.9 | 131.3 | 171.2 | 51.1 | 168.3 | 0 | 0 | 0 | 109.7 | W913 Y926 Y928 Q1203 | W913-I918 HydrophobicContact CD2-CB 4.48Å; W913-I918 HydrophobicContact CD2-CG2 4.08Å; W913-I918 HydrophobicContact CG-CG2 4.34Å; W913-I918 HydrophobicContact CH2-CB 4.48Å; W913-I918 HydrophobicContact CZ2-CB 4.06Å; W913-I918 HydrophobicContact CZ2-CG2 3.82Å; I918-Y926 HydrophobicContact CD1-CD1 4.03Å; I918-Y926 HydrophobicContact CD1-CD2 4.1Å; I918-Y926 HydrophobicContact CD1-CE1 3.84Å; I918-Y926 HydrophobicContact CD1-CE2 3.93Å; I918-Y926 HydrophobicContact CD1-CG 4.17Å; I918-Y926 HydrophobicContact CG1-CD1 4.42Å; I918-Y926 HydrophobicContact CG1-CD2 4.38Å; I918-Y926 HydrophobicContact CG1-CG 4.26Å; I918-Y926 VanDerWaalsContact O-CB 3.31Å; I918-Y926 WeakPolarHBondContact O-CB 3.34Å; I918-Y928 VanDerWaalsContact CG1-OH 3.28Å; I918-Y928 WeakPolarHBondContact CG1-OH 3.32Å; I918-Y928 VanDerWaalsContact O-CE2 3.23Å; I918-Y928 WeakPolarHBondContact O-CE2 3.35Å; I918-Y928 PolarHBondContact O-OH 2.82Å; I918-Q1203 HydrophobicContact CD1-CB 4.3Å; I918-Q1203 HydrophobicContact CD1-CG 3.71Å | ||
| 919 | A | 87.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 44% | 0.438 | 30% | 0.303 | S | S | . | . | trans | -99.7 | -23.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W913 Y926 | W913-A919 HydrophobicContact CH2-CB 4.26Å; W913-A919 VanDerWaalsContact CH2-N 3.3Å; W913-A919 HydrophobicContact CZ3-CB 3.66Å; A919-Y926 PolarHBondContact O-N 2.88Å | ||
| 920 | R | 86.5 | Confident | 85.8 | Confident | 141 Ų | 141 | 58.6 Ų | 58.6 | 53% | 0.532 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -161 | 154.5 | 179.3 | 64.8 | -179 | 178.5 | -177.6 | 1.5 | 112 | W913 Y924 L925 | W913-R920 HydrophobicContact CH2-CG 4.26Å; W913-R920 WeakPolarHBondContact CH2-O 3.4Å; W913-R920 WeakPolarHBondContact CZ2-O 3.28Å; R920-Y924 CarbonylContact C-O 3.55Å; R920-Y924 WeakPolarHBondContact CA-O 3.2Å; R920-L925 HydrophobicContact CB-CD2 3.79Å |
| 921 | D | 79.3 | Confident | 86.3 | Confident | 16 Ų | 16 | 57 Ų | 57 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | trans | -130.2 | -157.2 | 166 | 66.7 | 23.9 | 0 | 0 | 0 | 110.5 | H923 Y924 Y926 L940 Q1203 | D921-H923 VanDerWaalsContact C-N 3.27Å; D921-H923 PolarHBondContact O-N 2.98Å; D921-H923 WeakPolarHBondContact OD1-CA 3.46Å; D921-H923 PolarHBondContact OD1-N 3.33Å; D921-Y924 PolarHBondContact N-O 3.26Å; D921-Y924 PolarHBondContact OD1-N 3.47Å; D921-Y926 HydrophobicContact CB-CE2 4.2Å; D921-Y926 VanDerWaalsContact OD2-CE2 3.32Å; D921-Y926 WeakPolarHBondContact OD2-CE2 3.19Å; D921-Y926 VanDerWaalsContact OD2-CZ 3.32Å; D921-Y926 PolarHBondContact OD2-OH 3.49Å; D921-L940 VanDerWaalsContact O-CD2 3.26Å; D921-L940 WeakPolarHBondContact O-CD2 3.24Å; D921-Q1203 PolarHBondContact OD2-NE2 2.85Å | ||
| 922 | A | 72.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 53 Ų | 53 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -68 | -20 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H905 | H905-A922 WeakPolarHBondContact NE2-CA 3.39Å; H905-A922 WeakPolarHBondContact NE2-CB 3.34Å |
| 923 | H | 77.6 | Confident | 87.1 | Confident | 118 Ų | 118 | 51.4 Ų | 51.4 | 55% | 0.546 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -126.4 | -24.2 | -167.3 | -58.8 | -53.9 | 0 | 0 | 0 | 113.5 | D921 D939 L940 | D921-H923 VanDerWaalsContact C-N 3.27Å; D921-H923 PolarHBondContact O-N 2.98Å; D921-H923 WeakPolarHBondContact OD1-CA 3.46Å; D921-H923 PolarHBondContact OD1-N 3.33Å; H923-D939 CarbonylContact O-C 3.56Å; H923-D939 WeakPolarHBondContact O-CA 3.48Å; H923-L940 PolarHBondContact O-N 3.08Å |
| 924 | Y | 87.5 | Confident | 87.6 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.9 | -165.8 | -63.9 | -67.4 | 0 | 0 | 0 | 114 | R920 D921 K937 T938 D939 L1202 | R920-Y924 CarbonylContact C-O 3.55Å; R920-Y924 WeakPolarHBondContact CA-O 3.2Å; D921-Y924 PolarHBondContact N-O 3.26Å; D921-Y924 PolarHBondContact OD1-N 3.47Å; Y924-K937 HydrophobicContact CD1-CD 4.02Å; Y924-K937 HydrophobicContact CD1-CG 3.57Å; Y924-K937 HydrophobicContact CD2-CD 3.86Å; Y924-K937 HydrophobicContact CD2-CG 4.27Å; Y924-K937 HydrophobicContact CE1-CD 4.47Å; Y924-K937 HydrophobicContact CE1-CG 4.27Å; Y924-K937 HydrophobicContact CE2-CD 4.35Å; Y924-K937 HydrophobicContact CG-CD 3.7Å; Y924-K937 HydrophobicContact CG-CG 3.57Å; Y924-T938 CarbonylContact C-O 3.5Å; Y924-T938 VanDerWaalsContact CA-O 3.29Å; Y924-T938 WeakPolarHBondContact CA-O 3.21Å; Y924-D939 WeakPolarHBondContact CE1-OD1 3.11Å; Y924-L1202 HydrophobicContact CE2-CD1 4.5Å |
| 925 | L | 90.5 | Very high | 88.6 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.8 | 160.3 | -65.2 | 176.6 | 0 | 0 | 0 | 109.5 | R920 K937 T938 L940 | R920-L925 HydrophobicContact CB-CD2 3.79Å; L925-K937 WeakPolarHBondContact O-CA 3.32Å; L925-T938 PolarHBondContact N-O 2.82Å; L925-T938 PolarHBondContact O-N 3.45Å; L925-L940 HydrophobicContact CD1-CD1 4.38Å; L925-L940 HydrophobicContact CD2-CD1 3.78Å; L925-L940 HydrophobicContact CG-CD1 3.94Å |
| 926 | Y | 92.6 | Very high | 89.2 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.2 | -175.6 | -64.3 | -97.5 | 0 | 0 | 0 | 111.2 | I918 A919 D921 L934 E936 K937 Q1203 | I918-Y926 HydrophobicContact CD1-CD1 4.03Å; I918-Y926 HydrophobicContact CD1-CD2 4.1Å; I918-Y926 HydrophobicContact CD1-CE1 3.84Å; I918-Y926 HydrophobicContact CD1-CE2 3.93Å; I918-Y926 HydrophobicContact CD1-CG 4.17Å; I918-Y926 HydrophobicContact CG1-CD1 4.42Å; I918-Y926 HydrophobicContact CG1-CD2 4.38Å; I918-Y926 HydrophobicContact CG1-CG 4.26Å; I918-Y926 VanDerWaalsContact O-CB 3.31Å; I918-Y926 WeakPolarHBondContact O-CB 3.34Å; A919-Y926 PolarHBondContact O-N 2.88Å; D921-Y926 HydrophobicContact CB-CE2 4.2Å; D921-Y926 VanDerWaalsContact OD2-CE2 3.32Å; D921-Y926 WeakPolarHBondContact OD2-CE2 3.19Å; D921-Y926 VanDerWaalsContact OD2-CZ 3.32Å; D921-Y926 PolarHBondContact OD2-OH 3.49Å; Y926-L934 HydrophobicContact CD1-CD1 3.64Å; Y926-L934 HydrophobicContact CD1-CD2 4.07Å; Y926-L934 HydrophobicContact CE1-CD2 4.47Å; Y926-L934 HydrophobicContact CG-CD1 4.24Å; Y926-E936 WeakPolarHBondContact CA-O 2.98Å; Y926-K937 HydrophobicContact CD1-CB 4.49Å; Y926-K937 HydrophobicContact CD1-CD 4.07Å; Y926-K937 HydrophobicContact CD1-CG 4.17Å; Y926-K937 HydrophobicContact CE1-CD 3.34Å; Y926-K937 HydrophobicContact CE1-CG 3.9Å; Y926-Q1203 WeakPolarHBondContact OH-CG 3.37Å |
| 927 | R | 94.8 | Very high | 89.4 | Confident | 143 Ų | 143 | 48.9 Ų | 48.9 | 54% | 0.54 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.4 | 173.4 | -50.9 | -174.9 | -174.8 | -79.6 | -2.1 | 111.5 | L934 T935 E936 | R927-L934 CarbonylContact O-C 3.52Å; R927-L934 WeakPolarHBondContact O-CD1 3.44Å; R927-T935 PolarHBondContact O-N 3.1Å; R927-T935 PolarHBondContact O-OG1 2.96Å; R927-E936 HydrophobicContact CB-CB 4Å; R927-E936 VanDerWaalsContact CD-OE1 3.32Å; R927-E936 WeakPolarHBondContact CD-OE1 3.36Å; R927-E936 HydrophobicContact CG-CB 4.12Å; R927-E936 IonicContact CZ-OE1 3.74Å; R927-E936 PolarHBondContact N-O 2.71Å; R927-E936 IonicContact NE-OE1 3.93Å; R927-E936 PolarHBondContact NE-OE1 3.5Å; R927-E936 PolarHBondContact O-N 3.16Å |
| 928 | Y | 93.6 | Very high | 89.5 | Confident | 43 Ų | 43 | 47 Ų | 47 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 154.9 | 180 | -59.3 | -106.6 | 0 | 0 | 0 | 110.6 | R917 I918 R933 L934 Y1221 | R917-Y928 HydrophobicContact CB-CD2 4.15Å; R917-Y928 HydrophobicContact CB-CE2 3.98Å; R917-Y928 HydrophobicContact CG-CD1 4.3Å; R917-Y928 HydrophobicContact CG-CD2 4.33Å; R917-Y928 HydrophobicContact CG-CE1 4.35Å; R917-Y928 HydrophobicContact CG-CE2 4.43Å; R917-Y928 HydrophobicContact CG-CG 4.31Å; I918-Y928 VanDerWaalsContact CG1-OH 3.28Å; I918-Y928 WeakPolarHBondContact CG1-OH 3.32Å; I918-Y928 VanDerWaalsContact O-CE2 3.23Å; I918-Y928 WeakPolarHBondContact O-CE2 3.35Å; I918-Y928 PolarHBondContact O-OH 2.82Å; Y928-R933 CarbonylContact C-O 3.59Å; Y928-R933 WeakPolarHBondContact CA-O 3.38Å; Y928-L934 HydrophobicContact CD1-CB 4.22Å; Y928-L934 HydrophobicContact CD2-CD1 4.42Å; Y928-L934 HydrophobicContact CE1-CB 4Å; Y928-L934 HydrophobicContact CE1-CD1 4.15Å; Y928-L934 HydrophobicContact CE2-CD1 3.95Å; Y928-Y1221 HydrophobicContact CD1-CE1 4.37Å; Y928-Y1221 HydrophobicContact CE1-CE1 4.02Å |
| 929 | D | 92.5 | Very high | 89.4 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | trans | -82.1 | 177.8 | 165.1 | 70.8 | 13.5 | 0 | 0 | 0 | 112.6 | H931 G932 R933 T935 | D929-H931 PolarHBondContact O-N 2.9Å; D929-H931 WeakPolarHBondContact OD1-CA 3.13Å; D929-H931 WeakPolarHBondContact OD1-CB 3.13Å; D929-H931 PolarHBondContact OD1-N 2.8Å; D929-H931 IonicContact OD2-CD2 3.29Å; D929-G932 PolarHBondContact O-N 2.86Å; D929-G932 PolarHBondContact OD1-N 3.26Å; D929-R933 PolarHBondContact N-O 2.84Å; D929-R933 PolarHBondContact OD1-N 2.75Å; D929-R933 IonicContact OD1-NE 2.67Å; D929-R933 IonicContact OD2-CZ 2.72Å; D929-R933 VanDerWaalsContact OD2-CZ 3.23Å; D929-R933 IonicContact OD2-NE 3.13Å; D929-R933 PolarHBondContact OD2-NE 2.78Å; D929-R933 IonicContact OD2-NH2 3.92Å; D929-R933 PolarHBondContact OD2-NH2 3.42Å; D929-T935 HydrophobicContact CB-CG2 3.79Å | ||
| 930 | R | 90.7 | Very high | 89 | Confident | 135 Ų | 135 | 48.9 Ų | 48.9 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.4 | 176.3 | 69.6 | -170.8 | -177.8 | 170.2 | 7.2 | 114.3 | R662 E680 G932 | R662-R930 WeakPolarHBondContact CD-O 3.47Å; E680-R930 HydrophobicContact CB-CB 4.45Å; E680-R930 HydrophobicContact CB-CG 3.91Å; E680-R930 HydrophobicContact CG-CB 4.4Å; E680-R930 HydrophobicContact CG-CG 4.36Å; E680-R930 PolarHBondContact O-NE 3.09Å; E680-R930 PolarHBondContact O-NH1 3.49Å; E680-R930 VanDerWaalsContact O-NH1 3.09Å; E680-R930 PolarHBondContact O-NH2 3.04Å; R930-G932 VanDerWaalsContact C-N 3.28Å |
| 931 | H | 89.5 | Confident | 88.4 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 8.6 | 177.1 | -55.8 | -80 | 0 | 0 | 0 | 111.8 | D679 D929 R933 | D679-H931 PolarHBondContact O-CE1 3.19Å; D679-H931 IonicContact OD2-CE1 3.75Å; D679-H931 IonicContact OD2-CG 2.64Å; D679-H931 IonicContact OD2-ND1 2.78Å; D679-H931 PolarHBondContact OD2-ND1 3.11Å; D929-H931 PolarHBondContact O-N 2.9Å; D929-H931 WeakPolarHBondContact OD1-CA 3.13Å; D929-H931 WeakPolarHBondContact OD1-CB 3.13Å; D929-H931 PolarHBondContact OD1-N 2.8Å; D929-H931 IonicContact OD2-CD2 3.29Å; H931-R933 VanDerWaalsContact C-N 3.34Å; H931-R933 HydrophobicContact CB-CG 4.29Å; H931-R933 PolarHBondContact O-N 2.85Å |
| 932 | G | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 71.7 | 22.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D929 R930 Y1221 | D929-G932 PolarHBondContact O-N 2.86Å; D929-G932 PolarHBondContact OD1-N 3.26Å; R930-G932 VanDerWaalsContact C-N 3.28Å; G932-Y1221 WeakPolarHBondContact CA-OH 3.2Å; G932-Y1221 WeakPolarHBondContact O-CE1 3.46Å; G932-Y1221 PolarHBondContact O-OH 2.99Å |
| 933 | R | 93.7 | Very high | 87.3 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | trans | -99.8 | 133.5 | 179.3 | -54.5 | 176.8 | -68.5 | -170.4 | 15.5 | 110.2 | Y928 D929 H931 T935 Y958 D959 T1208 | Y928-R933 CarbonylContact C-O 3.59Å; Y928-R933 WeakPolarHBondContact CA-O 3.38Å; D929-R933 PolarHBondContact N-O 2.84Å; D929-R933 PolarHBondContact OD1-N 2.75Å; D929-R933 IonicContact OD1-NE 2.67Å; D929-R933 IonicContact OD2-CZ 2.72Å; D929-R933 VanDerWaalsContact OD2-CZ 3.23Å; D929-R933 IonicContact OD2-NE 3.13Å; D929-R933 PolarHBondContact OD2-NE 2.78Å; D929-R933 IonicContact OD2-NH2 3.92Å; D929-R933 PolarHBondContact OD2-NH2 3.42Å; H931-R933 VanDerWaalsContact C-N 3.34Å; H931-R933 HydrophobicContact CB-CG 4.29Å; H931-R933 PolarHBondContact O-N 2.85Å; R933-T935 PolarHBondContact O-N 3.04Å; R933-Y958 HydrophobicContact CB-CD2 3.9Å; R933-Y958 HydrophobicContact CB-CE1 4.42Å; R933-Y958 HydrophobicContact CB-CE2 3.63Å; R933-Y958 HydrophobicContact CB-CG 4.43Å; R933-D959 PolarHBondContact NH1-O 3.11Å; R933-T1208 HydrophobicContact CB-CG2 4.07Å; R933-T1208 HydrophobicContact CG-CG2 3.94Å | ||
| 934 | L | 95.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 118 | 176.2 | -177.3 | 71.9 | 0 | 0 | 0 | 110 | Y926 R927 Y928 Y956 Y958 I1207 | Y926-L934 HydrophobicContact CD1-CD1 3.64Å; Y926-L934 HydrophobicContact CD1-CD2 4.07Å; Y926-L934 HydrophobicContact CE1-CD2 4.47Å; Y926-L934 HydrophobicContact CG-CD1 4.24Å; R927-L934 CarbonylContact O-C 3.52Å; R927-L934 WeakPolarHBondContact O-CD1 3.44Å; Y928-L934 HydrophobicContact CD1-CB 4.22Å; Y928-L934 HydrophobicContact CD2-CD1 4.42Å; Y928-L934 HydrophobicContact CE1-CB 4Å; Y928-L934 HydrophobicContact CE1-CD1 4.15Å; Y928-L934 HydrophobicContact CE2-CD1 3.95Å; L934-Y956 HydrophobicContact CD2-CD2 4.25Å; L934-Y956 HydrophobicContact CD2-CE2 3.81Å; L934-Y956 HydrophobicContact CG-CD2 4.18Å; L934-Y956 HydrophobicContact CG-CE2 4.18Å; L934-Y956 VanDerWaalsContact O-CB 3.31Å; L934-Y956 WeakPolarHBondContact O-CB 3.26Å; L934-Y958 WeakPolarHBondContact O-CE2 3.4Å; L934-Y958 PolarHBondContact O-OH 2.73Å; L934-I1207 HydrophobicContact CB-CB 3.89Å; L934-I1207 WeakPolarHBondContact CB-O 3.45Å; L934-I1207 HydrophobicContact CD2-CB 4Å; L934-I1207 HydrophobicContact CD2-CG2 3.92Å; L934-I1207 PolarHBondContact N-O 2.78Å |
| 935 | T | 96.6 | Very high | 85.3 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -27.9 | -178.5 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | R927 D929 R933 R955 Y956 | R927-T935 PolarHBondContact O-N 3.1Å; R927-T935 PolarHBondContact O-OG1 2.96Å; D929-T935 HydrophobicContact CB-CG2 3.79Å; R933-T935 PolarHBondContact O-N 3.04Å; T935-R955 WeakPolarHBondContact O-CA 3.39Å; T935-Y956 PolarHBondContact O-N 3.27Å |
| 936 | E | 95.1 | Very high | 83.6 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 20% | 0.201 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135.9 | 179.5 | -168.4 | 178.9 | 92.7 | 0 | 0 | 111.2 | Y926 R927 T938 T953 H954 | Y926-E936 WeakPolarHBondContact CA-O 2.98Å; R927-E936 HydrophobicContact CB-CB 4Å; R927-E936 VanDerWaalsContact CD-OE1 3.32Å; R927-E936 WeakPolarHBondContact CD-OE1 3.36Å; R927-E936 HydrophobicContact CG-CB 4.12Å; R927-E936 IonicContact CZ-OE1 3.74Å; R927-E936 PolarHBondContact N-O 2.71Å; R927-E936 IonicContact NE-OE1 3.93Å; R927-E936 PolarHBondContact NE-OE1 3.5Å; R927-E936 PolarHBondContact O-N 3.16Å; E936-T938 PolarHBondContact OE1-OG1 2.95Å; E936-T953 HydrophobicContact CG-CG2 3.8Å; E936-H954 CarbonylContact C-O 3.55Å; E936-H954 VanDerWaalsContact CA-O 3.3Å; E936-H954 WeakPolarHBondContact CA-O 3.32Å |
| 937 | K | 93.1 | Very high | 81.8 | Confident | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 112 | 166.9 | -176.3 | 169.8 | 87.6 | 170.9 | 0 | 108.9 | Y924 L925 Y926 H954 Y956 D1200 | Y924-K937 HydrophobicContact CD1-CD 4.02Å; Y924-K937 HydrophobicContact CD1-CG 3.57Å; Y924-K937 HydrophobicContact CD2-CD 3.86Å; Y924-K937 HydrophobicContact CD2-CG 4.27Å; Y924-K937 HydrophobicContact CE1-CD 4.47Å; Y924-K937 HydrophobicContact CE1-CG 4.27Å; Y924-K937 HydrophobicContact CE2-CD 4.35Å; Y924-K937 HydrophobicContact CG-CD 3.7Å; Y924-K937 HydrophobicContact CG-CG 3.57Å; L925-K937 WeakPolarHBondContact O-CA 3.32Å; Y926-K937 HydrophobicContact CD1-CB 4.49Å; Y926-K937 HydrophobicContact CD1-CD 4.07Å; Y926-K937 HydrophobicContact CD1-CG 4.17Å; Y926-K937 HydrophobicContact CE1-CD 3.34Å; Y926-K937 HydrophobicContact CE1-CG 3.9Å; K937-H954 HydrophobicContact CB-CB 4.11Å; K937-H954 PolarHBondContact N-O 2.63Å; K937-H954 WeakPolarHBondContact O-CB 3.4Å; K937-H954 PolarHBondContact O-N 2.76Å; K937-Y956 HydrophobicContact CB-CE2 4.04Å; K937-D1200 IonicContact NZ-OD2 3.53Å; K937-D1200 PolarHBondContact NZ-OD2 3.24Å |
| 938 | T | 91.7 | Very high | 79.6 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.4 | -173.9 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | Y924 L925 E936 L940 R952 T953 | Y924-T938 CarbonylContact C-O 3.5Å; Y924-T938 VanDerWaalsContact CA-O 3.29Å; Y924-T938 WeakPolarHBondContact CA-O 3.21Å; L925-T938 PolarHBondContact N-O 2.82Å; L925-T938 PolarHBondContact O-N 3.45Å; E936-T938 PolarHBondContact OE1-OG1 2.95Å; T938-L940 PolarHBondContact O-N 3.32Å; T938-R952 WeakPolarHBondContact CA-O 3.32Å; T938-T953 WeakPolarHBondContact CG2-OG1 3.26Å; T938-T953 VanDerWaalsContact OG1-CG2 3.31Å; T938-T953 WeakPolarHBondContact OG1-CG2 3.23Å; T938-T953 PolarHBondContact OG1-OG1 2.93Å; T938-T953 VanDerWaalsContact OG1-OG1 3.13Å |
| 939 | D | 87.1 | Confident | 77.6 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 19% | 0.193 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 133 | 179.4 | -64.8 | -26 | 0 | 0 | 0 | 112 | H923 Y924 I941 R952 | H923-D939 CarbonylContact O-C 3.56Å; H923-D939 WeakPolarHBondContact O-CA 3.48Å; Y924-D939 WeakPolarHBondContact CE1-OD1 3.11Å; D939-I941 PolarHBondContact O-N 3.22Å; D939-R952 PolarHBondContact N-O 3Å; D939-R952 WeakPolarHBondContact OD2-CB 3.39Å; D939-R952 PolarHBondContact OD2-N 2.74Å |
| 940 | L | 79.9 | Confident | 76.2 | Confident | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | trans | -83.4 | 112.4 | 176.8 | 178.7 | 65.5 | 0 | 0 | 0 | 109.9 | D921 H923 L925 T938 | D921-L940 VanDerWaalsContact O-CD2 3.26Å; D921-L940 WeakPolarHBondContact O-CD2 3.24Å; H923-L940 PolarHBondContact O-N 3.08Å; L925-L940 HydrophobicContact CD1-CD1 4.38Å; L925-L940 HydrophobicContact CD2-CD1 3.78Å; L925-L940 HydrophobicContact CG-CD1 3.94Å; T938-L940 PolarHBondContact O-N 3.32Å | ||
| 941 | I | 72.6 | Confident | 75.3 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 121.5 | 176 | -60.4 | 166.8 | 0 | 0 | 0 | 109.4 | D939 V945 R947 E951 | D939-I941 PolarHBondContact O-N 3.22Å; I941-V945 HydrophobicContact CG2-CB 4.35Å; I941-R947 HydrophobicContact CD1-CG 3.82Å; I941-E951 HydrophobicContact CD1-CB 4.41Å; I941-E951 HydrophobicContact CD1-CG 4.04Å; I941-E951 WeakPolarHBondContact CD1-OE2 3.48Å |
| 942 | P | 67.3 | Low | 75.1 | Confident | 84 Ų | 84 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 143.2 | 175.5 | -20.6 | 32.8 | 0 | 0 | 0 | 112.4 | G944 V945 | P942-G944 PolarHBondContact O-N 2.96Å; P942-V945 HydrophobicContact CB-CG2 3.93Å; P942-V945 HydrophobicContact CG-CG2 4.27Å; P942-V945 WeakPolarHBondContact O-CB 3.49Å; P942-V945 PolarHBondContact O-N 3.26Å; P942-V945 VanDerWaalsContact O-N 3.16Å |
| 943 | E | 61.9 | Low | 75.2 | Confident | 205 Ų | 205 | 71.9 Ų | 71.9 | 96% | 0.958 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 131.2 | 178.4 | -68.7 | -169.1 | 161.1 | 0 | 0 | 111.6 | ||
| 944 | G | 63 | Low | 75.3 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 88% | 0.876 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -7.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P942 | P942-G944 PolarHBondContact O-N 2.96Š|
| 945 | V | 59.4 | Low | 75.3 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | trans | -80.8 | 129.1 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | I941 P942 R947 | I941-V945 HydrophobicContact CG2-CB 4.35Å; P942-V945 HydrophobicContact CB-CG2 3.93Å; P942-V945 HydrophobicContact CG-CG2 4.27Å; P942-V945 WeakPolarHBondContact O-CB 3.49Å; P942-V945 PolarHBondContact O-N 3.26Å; P942-V945 VanDerWaalsContact O-N 3.16Å; V945-R947 PolarHBondContact O-N 2.85Å | ||
| 946 | I | 54.4 | Low | 75.3 | Confident | 146 Ų | 146 | 72.2 Ų | 72.2 | 75% | 0.749 | 38% | 0.382 | S | S | * | . | trans | -65.5 | 131.8 | 170.5 | -61.2 | 174.9 | 0 | 0 | 0 | 107.6 | T948 | I946-T948 PolarHBondContact O-N 2.67Š| ||
| 947 | R | 54.9 | Low | 75.4 | Confident | 164 Ų | 164 | 74 Ų | 74 | 62% | 0.619 | 39% | 0.391 | S | S | * | . | trans | -49.6 | 97.9 | 167.7 | -85.6 | 175 | 151.5 | 167.1 | -7.3 | 110.3 | I941 V945 E951 | I941-R947 HydrophobicContact CD1-CG 3.82Å; V945-R947 PolarHBondContact O-N 2.85Å; R947-E951 IonicContact CZ-OE1 2.7Å; R947-E951 IonicContact CZ-OE2 3.81Å; R947-E951 IonicContact NE-OE1 3.68Å; R947-E951 IonicContact NE-OE2 2.67Å; R947-E951 PolarHBondContact NE-OE2 3.3Å; R947-E951 VanDerWaalsContact NH2-CD 3.32Å; R947-E951 IonicContact NH2-OE1 2.66Å; R947-E951 PolarHBondContact NH2-OE1 2.74Å; R947-E951 IonicContact NH2-OE2 3.27Å; R947-E951 PolarHBondContact NH2-OE2 3.39Å | ||
| 948 | T | 50 | Low | 75.5 | Confident | 96 Ų | 96 | 75 Ų | 75 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | trans | -77.7 | 164.9 | 165.4 | 46.4 | 0 | 0 | 0 | 0 | 109.3 | I946 D950 Y972 | I946-T948 PolarHBondContact O-N 2.67Å; T948-D950 PolarHBondContact O-N 3.19Å; T948-Y972 PolarHBondContact O-OH 2.84Å | ||
| 949 | D | 51.1 | Low | 75.4 | Confident | 126 Ų | 126 | 75.7 Ų | 75.7 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 9.6 | -165.6 | -65.7 | -50.8 | 0 | 0 | 0 | 116.3 | Q971 Y972 | D949-Q971 PolarHBondContact O-NE2 3.44Å; D949-Y972 VanDerWaalsContact CA-OH 3.27Å; D949-Y972 WeakPolarHBondContact CA-OH 3.47Å |
| 950 | D | 63.1 | Low | 75.4 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -9.3 | -162.8 | -84.1 | -55.9 | 0 | 0 | 0 | 117 | T948 R952 | T948-D950 PolarHBondContact O-N 3.19Å; D950-R952 VanDerWaalsContact O-CD 3.31Å; D950-R952 WeakPolarHBondContact O-CD 3.42Å; D950-R952 VanDerWaalsContact O-CG 3.28Å; D950-R952 WeakPolarHBondContact O-CG 3.44Å; D950-R952 PolarHBondContact O-N 3.27Å; D950-R952 VanDerWaalsContact O-N 3.14Å; D950-R952 PolarHBondContact O-NE 2.78Å; D950-R952 IonicContact OD1-CZ 2.82Å; D950-R952 IonicContact OD1-NH2 3.19Å; D950-R952 PolarHBondContact OD1-NH2 3.22Å |
| 951 | E | 70.7 | Confident | 75.7 | Confident | 36 Ų | 36 | 73 Ų | 73 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | trans | -57.6 | 114.2 | -174.6 | -175.3 | -179.5 | 176.4 | 0 | 0 | 112.8 | I941 R947 | I941-E951 HydrophobicContact CD1-CB 4.41Å; I941-E951 HydrophobicContact CD1-CG 4.04Å; I941-E951 WeakPolarHBondContact CD1-OE2 3.48Å; R947-E951 IonicContact CZ-OE1 2.7Å; R947-E951 IonicContact CZ-OE2 3.81Å; R947-E951 IonicContact NE-OE1 3.68Å; R947-E951 IonicContact NE-OE2 2.67Å; R947-E951 PolarHBondContact NE-OE2 3.3Å; R947-E951 VanDerWaalsContact NH2-CD 3.32Å; R947-E951 IonicContact NH2-OE1 2.66Å; R947-E951 PolarHBondContact NH2-OE1 2.74Å; R947-E951 IonicContact NH2-OE2 3.27Å; R947-E951 PolarHBondContact NH2-OE2 3.39Å | ||
| 952 | R | 86.7 | Confident | 76.4 | Confident | 92 Ų | 92 | 72.1 Ų | 72.1 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.5 | 179.9 | -64 | 139 | -161.7 | -167.8 | 8.3 | 111.7 | T938 D939 D950 R969 T970 L976 | T938-R952 WeakPolarHBondContact CA-O 3.32Å; D939-R952 PolarHBondContact N-O 3Å; D939-R952 WeakPolarHBondContact OD2-CB 3.39Å; D939-R952 PolarHBondContact OD2-N 2.74Å; D950-R952 VanDerWaalsContact O-CD 3.31Å; D950-R952 WeakPolarHBondContact O-CD 3.42Å; D950-R952 VanDerWaalsContact O-CG 3.28Å; D950-R952 WeakPolarHBondContact O-CG 3.44Å; D950-R952 PolarHBondContact O-N 3.27Å; D950-R952 VanDerWaalsContact O-N 3.14Å; D950-R952 PolarHBondContact O-NE 2.78Å; D950-R952 IonicContact OD1-CZ 2.82Å; D950-R952 IonicContact OD1-NH2 3.19Å; D950-R952 PolarHBondContact OD1-NH2 3.22Å; R952-R969 HydrophobicContact CB-CG 4.38Å; R952-T970 WeakPolarHBondContact CA-O 3.11Å; R952-L976 HydrophobicContact CG-CD1 4.4Å |
| 953 | T | 92.3 | Very high | 77.6 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123 | 171.2 | -64.4 | 0 | 0 | 0 | 0 | 109.4 | E936 T938 R955 R969 T970 | E936-T953 HydrophobicContact CG-CG2 3.8Å; T938-T953 WeakPolarHBondContact CG2-OG1 3.26Å; T938-T953 VanDerWaalsContact OG1-CG2 3.31Å; T938-T953 WeakPolarHBondContact OG1-CG2 3.23Å; T938-T953 PolarHBondContact OG1-OG1 2.93Å; T938-T953 VanDerWaalsContact OG1-OG1 3.13Å; T953-R955 HydrophobicContact CG2-CG 3.92Å; T953-R969 CarbonylContact O-C 3.52Å; T953-R969 WeakPolarHBondContact O-CA 3.1Å; T953-T970 PolarHBondContact N-O 2.86Å; T953-T970 PolarHBondContact O-N 2.92Å; T953-T970 PolarHBondContact O-OG1 3.49Å |
| 954 | H | 94.2 | Very high | 79.2 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.5 | 171.4 | -67.3 | -140.2 | 0 | 0 | 0 | 108.3 | E936 K937 Y956 Y967 T968 R969 | E936-H954 CarbonylContact C-O 3.55Å; E936-H954 VanDerWaalsContact CA-O 3.3Å; E936-H954 WeakPolarHBondContact CA-O 3.32Å; K937-H954 HydrophobicContact CB-CB 4.11Å; K937-H954 PolarHBondContact N-O 2.63Å; K937-H954 WeakPolarHBondContact O-CB 3.4Å; K937-H954 PolarHBondContact O-N 2.76Å; H954-Y956 HydrophobicContact CB-CE2 4.02Å; H954-Y956 PolarHBondContact ND1-OH 2.81Å; H954-Y967 HydrophobicContact CB-CE2 3.98Å; H954-Y967 PolarHBondContact CE1-OH 2.87Å; H954-Y967 AromaticContact ND1-CE2 3.87Å; H954-Y967 AromaticContact ND1-CZ 3.86Å; H954-Y967 PolarHBondContact ND1-OH 2.9Å; H954-T968 CarbonylContact C-O 3.54Å; H954-T968 WeakPolarHBondContact CA-O 3.27Å; H954-R969 VanDerWaalsContact NE2-CD 3.27Å; H954-R969 WeakPolarHBondContact NE2-CD 3.14Å |
| 955 | R | 96.7 | Very high | 80.7 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.6 | 175.7 | -57 | 175.5 | 173.2 | 141.7 | -2 | 110.1 | T935 T953 Y967 T968 E973 | T935-R955 WeakPolarHBondContact O-CA 3.39Å; T953-R955 HydrophobicContact CG2-CG 3.92Å; R955-Y967 WeakPolarHBondContact O-CA 3.35Å; R955-Y967 WeakPolarHBondContact O-CD2 3.44Å; R955-T968 PolarHBondContact N-O 3.39Å; R955-T968 PolarHBondContact O-N 3.15Å; R955-E973 IonicContact CZ-OE1 3.57Å; R955-E973 IonicContact CZ-OE2 3.91Å; R955-E973 IonicContact NH1-OE2 2.79Å; R955-E973 PolarHBondContact NH1-OE2 2.94Å; R955-E973 VanDerWaalsContact NH2-CD 3.3Å; R955-E973 IonicContact NH2-OE1 3.19Å; R955-E973 PolarHBondContact NH2-OE1 3.34Å; R955-E973 IonicContact NH2-OE2 3.26Å; R955-E973 PolarHBondContact NH2-OE2 3.13Å |
| 956 | Y | 97.1 | Very high | 82.5 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.1 | -176.5 | -53.2 | -83.6 | 0 | 0 | 0 | 109.9 | L934 T935 K937 H954 L964 Y967 L1191 I1207 | L934-Y956 HydrophobicContact CD2-CD2 4.25Å; L934-Y956 HydrophobicContact CD2-CE2 3.81Å; L934-Y956 HydrophobicContact CG-CD2 4.18Å; L934-Y956 HydrophobicContact CG-CE2 4.18Å; L934-Y956 VanDerWaalsContact O-CB 3.31Å; L934-Y956 WeakPolarHBondContact O-CB 3.26Å; T935-Y956 PolarHBondContact O-N 3.27Å; K937-Y956 HydrophobicContact CB-CE2 4.04Å; H954-Y956 HydrophobicContact CB-CE2 4.02Å; H954-Y956 PolarHBondContact ND1-OH 2.81Å; Y956-L964 HydrophobicContact CD1-CD1 4.11Å; Y956-L964 HydrophobicContact CD1-CD2 4.36Å; Y956-L964 HydrophobicContact CG-CD1 4.44Å; Y956-Y967 AromaticContact CD1-CD2 3.63Å; Y956-Y967 HydrophobicContact CD1-CD2 3.63Å; Y956-Y967 HydrophobicContact CD1-CE2 4.16Å; Y956-Y967 AromaticContact CE1-CD2 3.53Å; Y956-Y967 HydrophobicContact CE1-CD2 3.53Å; Y956-Y967 AromaticContact CE1-CE2 3.61Å; Y956-Y967 HydrophobicContact CE1-CE2 3.61Å; Y956-L1191 HydrophobicContact CD1-CD1 4.37Å; Y956-L1191 HydrophobicContact CE1-CD1 3.65Å; Y956-I1207 HydrophobicContact CD1-CD1 4.43Å |
| 957 | H | 96.2 | Very high | 84.5 | Confident | 82 Ų | 82 | 46.7 Ų | 46.7 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.5 | -177.6 | -57 | -90.2 | 0 | 0 | 0 | 110.2 | V965 H966 | H957-V965 WeakPolarHBondContact O-CG2 3.33Å; H957-V965 PolarHBondContact O-N 3.45Å; H957-H966 WeakPolarHBondContact CA-O 3.36Å; H957-H966 HydrophobicContact CB-CB 3.99Å; H957-H966 WeakPolarHBondContact CB-O 3.43Å; H957-H966 AromaticContact CD2-CE1 3.79Å; H957-H966 AromaticContact CD2-CG 3.98Å; H957-H966 AromaticContact CD2-ND1 3.17Å; H957-H966 PolarHBondContact CD2-ND1 3.21Å; H957-H966 AromaticContact CG-ND1 3.63Å; H957-H966 PolarHBondContact N-O 3.23Å; H957-H966 AromaticContact NE2-ND1 3.77Å; H957-H966 PolarHBondContact O-N 2.97Å; H957-H966 VanDerWaalsContact O-N 3.11Å |
| 958 | Y | 94.4 | Very high | 86.5 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.5 | -176.8 | -51.8 | -96.5 | 0 | 0 | 0 | 110.5 | R933 L934 H962 R963 L964 I1207 T1208 | R933-Y958 HydrophobicContact CB-CD2 3.9Å; R933-Y958 HydrophobicContact CB-CE1 4.42Å; R933-Y958 HydrophobicContact CB-CE2 3.63Å; R933-Y958 HydrophobicContact CB-CG 4.43Å; L934-Y958 WeakPolarHBondContact O-CE2 3.4Å; L934-Y958 PolarHBondContact O-OH 2.73Å; Y958-H962 WeakPolarHBondContact CD1-O 3.41Å; Y958-R963 WeakPolarHBondContact CA-O 3.49Å; Y958-L964 HydrophobicContact CD1-CB 4.11Å; Y958-L964 HydrophobicContact CD1-CD1 4.31Å; Y958-L964 HydrophobicContact CE1-CB 4.02Å; Y958-L964 HydrophobicContact CE1-CD1 3.99Å; Y958-I1207 WeakPolarHBondContact OH-CD1 3.45Å; Y958-T1208 HydrophobicContact CD1-CG2 4.49Å; Y958-T1208 HydrophobicContact CE1-CG2 3.73Å |
| 959 | D | 90.4 | Very high | 88.6 | Confident | 30 Ų | 30 | 38 Ų | 38 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | trans | -75.5 | -173.1 | 170.3 | 61.4 | 13.3 | 0 | 0 | 0 | 112.1 | R933 Q961 H962 R963 V965 | R933-D959 PolarHBondContact NH1-O 3.11Å; D959-Q961 PolarHBondContact O-N 3.21Å; D959-Q961 WeakPolarHBondContact OD1-CA 3.36Å; D959-Q961 VanDerWaalsContact OD1-CB 3.29Å; D959-Q961 WeakPolarHBondContact OD1-CB 3.36Å; D959-Q961 PolarHBondContact OD1-N 3.49Å; D959-H962 PolarHBondContact O-N 3.45Å; D959-H962 PolarHBondContact OD1-N 3.34Å; D959-H962 VanDerWaalsContact OD1-N 3.13Å; D959-R963 PolarHBondContact N-O 2.87Å; D959-R963 VanDerWaalsContact N-O 3.09Å; D959-R963 PolarHBondContact OD1-N 2.97Å; D959-R963 IonicContact OD2-CZ 2.82Å; D959-R963 IonicContact OD2-NE 3.95Å; D959-R963 PolarHBondContact OD2-NE 3.21Å; D959-R963 IonicContact OD2-NH2 3.75Å; D959-R963 PolarHBondContact OD2-NH2 2.98Å; D959-V965 HydrophobicContact CB-CG1 3.84Å; D959-V965 HydrophobicContact CB-CG2 4.29Å | ||
| 960 | S | 87.1 | Confident | 90.5 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -4.2 | 170.8 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | L682 | L682-S960 WeakPolarHBondContact CD1-O 3.33Å; L682-S960 WeakPolarHBondContact CD2-O 3.29Å |
| 961 | Q | 85.3 | Confident | 91.6 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 12.3 | -174.8 | -53.9 | -156.3 | -103.4 | 0 | 0 | 111.8 | E705 D959 R963 Y1372 | E705-Q961 PolarHBondContact OE1-NE2 2.69Å; D959-Q961 PolarHBondContact O-N 3.21Å; D959-Q961 WeakPolarHBondContact OD1-CA 3.36Å; D959-Q961 VanDerWaalsContact OD1-CB 3.29Å; D959-Q961 WeakPolarHBondContact OD1-CB 3.36Å; D959-Q961 PolarHBondContact OD1-N 3.49Å; Q961-R963 HydrophobicContact CB-CG 4.16Å; Q961-R963 PolarHBondContact O-N 2.63Å; Q961-R963 VanDerWaalsContact O-N 3.1Å; Q961-R963 VanDerWaalsContact OE1-NH1 3.09Å; Q961-Y1372 VanDerWaalsContact CA-OH 3.24Å; Q961-Y1372 WeakPolarHBondContact CA-OH 3.41Å; Q961-Y1372 HydrophobicContact CB-CE1 4.14Å; Q961-Y1372 HydrophobicContact CB-CE2 4.23Å; Q961-Y1372 WeakPolarHBondContact CB-OH 3.25Å; Q961-Y1372 VanDerWaalsContact CG-OH 3.26Å; Q961-Y1372 WeakPolarHBondContact CG-OH 3.4Å; Q961-Y1372 PolarHBondContact NE2-OH 2.97Å; Q961-Y1372 WeakPolarHBondContact O-CE2 3.09Å |
| 962 | H | 88.7 | Confident | 92 | Very high | 43 Ų | 43 | 34 Ų | 34 | 20% | 0.199 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 60.4 | 12.8 | -177.8 | -47.3 | -106.6 | 0 | 0 | 0 | 114.1 | D679 L682 Y958 D959 | D679-H962 IonicContact OD2-CE1 3.68Å; L682-H962 WeakPolarHBondContact CD2-NE2 2.97Å; Y958-H962 WeakPolarHBondContact CD1-O 3.41Å; D959-H962 PolarHBondContact O-N 3.45Å; D959-H962 PolarHBondContact OD1-N 3.34Å; D959-H962 VanDerWaalsContact OD1-N 3.13Å |
| 963 | R | 91.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 35.7 Ų | 35.7 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | trans | -83.3 | 136.1 | 175.1 | -52.4 | 178.5 | -61.2 | -144.2 | -4 | 109.4 | H720 Y958 D959 Q961 V965 Y983 | H720-R963 PolarHBondContact CE1-NH1 3.47Å; H720-R963 VanDerWaalsContact CE1-NH1 3.32Å; Y958-R963 WeakPolarHBondContact CA-O 3.49Å; D959-R963 PolarHBondContact N-O 2.87Å; D959-R963 VanDerWaalsContact N-O 3.09Å; D959-R963 PolarHBondContact OD1-N 2.97Å; D959-R963 IonicContact OD2-CZ 2.82Å; D959-R963 IonicContact OD2-NE 3.95Å; D959-R963 PolarHBondContact OD2-NE 3.21Å; D959-R963 IonicContact OD2-NH2 3.75Å; D959-R963 PolarHBondContact OD2-NH2 2.98Å; Q961-R963 HydrophobicContact CB-CG 4.16Å; Q961-R963 PolarHBondContact O-N 2.63Å; Q961-R963 VanDerWaalsContact O-N 3.1Å; Q961-R963 VanDerWaalsContact OE1-NH1 3.09Å; R963-V965 PolarHBondContact O-N 2.94Å; R963-V965 VanDerWaalsContact O-N 3.13Å; R963-Y983 HydrophobicContact CB-CD2 4.01Å; R963-Y983 HydrophobicContact CB-CE1 4.45Å; R963-Y983 HydrophobicContact CB-CE2 3.82Å; R963-Y983 HydrophobicContact CB-CG 4.41Å | ||
| 964 | L | 95.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 104.4 | 177.7 | -179.8 | 68.4 | 0 | 0 | 0 | 109.5 | Y956 Y958 Y981 Y983 Y1198 | Y956-L964 HydrophobicContact CD1-CD1 4.11Å; Y956-L964 HydrophobicContact CD1-CD2 4.36Å; Y956-L964 HydrophobicContact CG-CD1 4.44Å; Y958-L964 HydrophobicContact CD1-CB 4.11Å; Y958-L964 HydrophobicContact CD1-CD1 4.31Å; Y958-L964 HydrophobicContact CE1-CB 4.02Å; Y958-L964 HydrophobicContact CE1-CD1 3.99Å; L964-Y981 HydrophobicContact CD2-CE2 3.88Å; L964-Y981 HydrophobicContact CG-CD2 4.23Å; L964-Y981 HydrophobicContact CG-CE2 3.91Å; L964-Y981 WeakPolarHBondContact O-CD2 3.28Å; L964-Y983 VanDerWaalsContact O-CE2 3.23Å; L964-Y983 WeakPolarHBondContact O-CE2 3.45Å; L964-Y983 PolarHBondContact O-OH 2.84Å; L964-Y1198 HydrophobicContact CB-CD2 4.09Å; L964-Y1198 HydrophobicContact CB-CE2 3.66Å; L964-Y1198 HydrophobicContact CD2-CD1 4.08Å; L964-Y1198 HydrophobicContact CD2-CD2 4.33Å; L964-Y1198 HydrophobicContact CD2-CE1 3.83Å; L964-Y1198 HydrophobicContact CD2-CE2 4.12Å; L964-Y1198 HydrophobicContact CD2-CG 4.31Å |
| 965 | V | 95.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -26.5 | -176.8 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | E723 H957 D959 R963 R980 Y981 Y983 | E723-V965 HydrophobicContact CG-CB 4.43Å; H957-V965 WeakPolarHBondContact O-CG2 3.33Å; H957-V965 PolarHBondContact O-N 3.45Å; D959-V965 HydrophobicContact CB-CG1 3.84Å; D959-V965 HydrophobicContact CB-CG2 4.29Å; R963-V965 PolarHBondContact O-N 2.94Å; R963-V965 VanDerWaalsContact O-N 3.13Å; V965-R980 CarbonylContact O-C 3.57Å; V965-R980 VanDerWaalsContact O-CA 3.26Å; V965-R980 WeakPolarHBondContact O-CA 3.5Å; V965-Y981 PolarHBondContact O-N 2.82Å; V965-Y983 HydrophobicContact CG1-CD2 4.36Å; V965-Y983 HydrophobicContact CG1-CE2 4.17Å |
| 966 | H | 96.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 40 Ų | 40 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.1 | -178.5 | 169 | -123.4 | 0 | 0 | 0 | 111.7 | H957 T968 E978 S979 R980 | H957-H966 WeakPolarHBondContact CA-O 3.36Å; H957-H966 HydrophobicContact CB-CB 3.99Å; H957-H966 WeakPolarHBondContact CB-O 3.43Å; H957-H966 AromaticContact CD2-CE1 3.79Å; H957-H966 AromaticContact CD2-CG 3.98Å; H957-H966 AromaticContact CD2-ND1 3.17Å; H957-H966 PolarHBondContact CD2-ND1 3.21Å; H957-H966 AromaticContact CG-ND1 3.63Å; H957-H966 PolarHBondContact N-O 3.23Å; H957-H966 AromaticContact NE2-ND1 3.77Å; H957-H966 PolarHBondContact O-N 2.97Å; H957-H966 VanDerWaalsContact O-N 3.11Å; H966-T968 WeakPolarHBondContact NE2-CG2 3.39Å; H966-E978 IonicContact CD2-OE1 3.29Å; H966-E978 WeakPolarHBondContact NE2-CG 3.41Å; H966-E978 IonicContact NE2-OE1 3.85Å; H966-E978 PolarHBondContact NE2-OE1 3.12Å; H966-S979 CarbonylContact C-O 3.58Å; H966-S979 WeakPolarHBondContact CA-O 3.27Å; H966-S979 PolarHBondContact CD2-O 3.06Å; H966-R980 HydrophobicContact CB-CG 4.34Å; H966-R980 PolarHBondContact CD2-NH2 2.92Å; H966-R980 PolarHBondContact NE2-NH2 3.34Å |
| 967 | Y | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.2 | -179.2 | 165.6 | -98.9 | 0 | 0 | 0 | 109.7 | H954 R955 Y956 R969 V977 E978 S979 E1188 | H954-Y967 HydrophobicContact CB-CE2 3.98Å; H954-Y967 PolarHBondContact CE1-OH 2.87Å; H954-Y967 AromaticContact ND1-CE2 3.87Å; H954-Y967 AromaticContact ND1-CZ 3.86Å; H954-Y967 PolarHBondContact ND1-OH 2.9Å; R955-Y967 WeakPolarHBondContact O-CA 3.35Å; R955-Y967 WeakPolarHBondContact O-CD2 3.44Å; Y956-Y967 AromaticContact CD1-CD2 3.63Å; Y956-Y967 HydrophobicContact CD1-CD2 3.63Å; Y956-Y967 HydrophobicContact CD1-CE2 4.16Å; Y956-Y967 AromaticContact CE1-CD2 3.53Å; Y956-Y967 HydrophobicContact CE1-CD2 3.53Å; Y956-Y967 AromaticContact CE1-CE2 3.61Å; Y956-Y967 HydrophobicContact CE1-CE2 3.61Å; Y967-R969 HydrophobicContact CE1-CB 4.37Å; Y967-V977 HydrophobicContact CE1-CG1 4.1Å; Y967-E978 CarbonylContact O-C 3.54Å; Y967-E978 WeakPolarHBondContact O-CA 3.3Å; Y967-S979 PolarHBondContact N-O 2.72Å; Y967-S979 PolarHBondContact O-N 2.89Å; Y967-E1188 HydrophobicContact CD1-CB 4.49Å; Y967-E1188 HydrophobicContact CD1-CG 4.27Å; Y967-E1188 HydrophobicContact CE1-CB 4.31Å; Y967-E1188 HydrophobicContact CE1-CG 4.48Å; Y967-E1188 WeakPolarHBondContact CE1-O 3.43Å; Y967-E1188 PolarHBondContact OH-O 2.85Å |
| 968 | T | 96 | Very high | 90.6 | Very high | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.1 | 170.1 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | H954 R955 H966 V977 E978 | H954-T968 CarbonylContact C-O 3.54Å; H954-T968 WeakPolarHBondContact CA-O 3.27Å; R955-T968 PolarHBondContact N-O 3.39Å; R955-T968 PolarHBondContact O-N 3.15Å; H966-T968 WeakPolarHBondContact NE2-CG2 3.39Å; T968-V977 WeakPolarHBondContact CA-O 3.33Å; T968-E978 HydrophobicContact CG2-CB 4.17Å; T968-E978 HydrophobicContact CG2-CG 4.06Å |
| 969 | R | 94.3 | Very high | 90.6 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.4 | 165.5 | -165.6 | 167.8 | 64.6 | -156.5 | 2.2 | 109.3 | R952 T953 H954 Y967 L976 V977 E1188 | R952-R969 HydrophobicContact CB-CG 4.38Å; T953-R969 CarbonylContact O-C 3.52Å; T953-R969 WeakPolarHBondContact O-CA 3.1Å; H954-R969 VanDerWaalsContact NE2-CD 3.27Å; H954-R969 WeakPolarHBondContact NE2-CD 3.14Å; Y967-R969 HydrophobicContact CE1-CB 4.37Å; R969-L976 WeakPolarHBondContact O-CB 3.04Å; R969-L976 PolarHBondContact O-N 3.35Å; R969-V977 HydrophobicContact CB-CG1 3.61Å; R969-V977 PolarHBondContact N-O 3.01Å; R969-V977 PolarHBondContact O-N 3.04Å; R969-E1188 PolarHBondContact NH1-O 2.67Å |
| 970 | T | 91.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 151.8 | 178.9 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | R952 T953 E974 P975 | R952-T970 WeakPolarHBondContact CA-O 3.11Å; T953-T970 PolarHBondContact N-O 2.86Å; T953-T970 PolarHBondContact O-N 2.92Å; T953-T970 PolarHBondContact O-OG1 3.49Å; T970-E974 CarbonylContact C-O 3.59Å; T970-E974 VanDerWaalsContact CA-O 3.23Å; T970-E974 WeakPolarHBondContact CA-O 3.32Å; T970-P975 HydrophobicContact CG2-CB 4.48Å |
| 971 | Q | 87 | Confident | 91.4 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 119.5 | 170.8 | 176.8 | -176.7 | 45.4 | 0 | 0 | 106.4 | D949 E973 E974 L976 | D949-Q971 PolarHBondContact O-NE2 3.44Å; Q971-E973 VanDerWaalsContact C-N 3.28Å; Q971-E973 PolarHBondContact O-N 2.03Å; Q971-E974 PolarHBondContact N-O 2.99Å; Q971-E974 WeakPolarHBondContact O-CB 3.34Å; Q971-E974 PolarHBondContact O-N 3.44Å; Q971-L976 HydrophobicContact CB-CD1 3.8Å; Q971-L976 HydrophobicContact CB-CD2 4.1Å; Q971-L976 HydrophobicContact CB-CG 3.93Å |
| 972 | Y | 79 | Confident | 91.9 | Very high | 118 Ų | 118 | 36.5 Ų | 36.5 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 43.7 | -169 | -54.4 | -60.9 | 0 | 0 | 0 | 114.2 | T948 D949 E974 | T948-Y972 PolarHBondContact O-OH 2.84Å; D949-Y972 VanDerWaalsContact CA-OH 3.27Å; D949-Y972 WeakPolarHBondContact CA-OH 3.47Å; Y972-E974 PolarHBondContact O-N 3.36Å; Y972-E974 VanDerWaalsContact O-N 3.08Å |
| 973 | E | 80 | Confident | 92.2 | Very high | 127 Ų | 127 | 34.7 Ų | 34.7 | 59% | 0.593 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -1.2 | -172.2 | -61.2 | -64.6 | 165.6 | 0 | 0 | 116 | R955 Q971 | R955-E973 IonicContact CZ-OE1 3.57Å; R955-E973 IonicContact CZ-OE2 3.91Å; R955-E973 IonicContact NH1-OE2 2.79Å; R955-E973 PolarHBondContact NH1-OE2 2.94Å; R955-E973 VanDerWaalsContact NH2-CD 3.3Å; R955-E973 IonicContact NH2-OE1 3.19Å; R955-E973 PolarHBondContact NH2-OE1 3.34Å; R955-E973 IonicContact NH2-OE2 3.26Å; R955-E973 PolarHBondContact NH2-OE2 3.13Å; Q971-E973 VanDerWaalsContact C-N 3.28Å; Q971-E973 PolarHBondContact O-N 2.03Å |
| 974 | E | 85.5 | Confident | 92.4 | Very high | 98 Ų | 98 | 33.4 Ų | 33.4 | 46% | 0.458 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.4 | 171.8 | -64.1 | -165.8 | -176.2 | 0 | 0 | 111.4 | T970 Q971 Y972 L976 R997 | T970-E974 CarbonylContact C-O 3.59Å; T970-E974 VanDerWaalsContact CA-O 3.23Å; T970-E974 WeakPolarHBondContact CA-O 3.32Å; Q971-E974 PolarHBondContact N-O 2.99Å; Q971-E974 WeakPolarHBondContact O-CB 3.34Å; Q971-E974 PolarHBondContact O-N 3.44Å; Y972-E974 PolarHBondContact O-N 3.36Å; Y972-E974 VanDerWaalsContact O-N 3.08Å; E974-L976 PolarHBondContact O-N 3.49Å; E974-R997 IonicContact OE2-CZ 2.81Å; E974-R997 VanDerWaalsContact OE2-CZ 3.3Å; E974-R997 IonicContact OE2-NE 3.56Å; E974-R997 IonicContact OE2-NH2 3.6Å; E974-R997 PolarHBondContact OE2-NH2 3.36Å |
| 975 | P | 87.5 | Confident | 92.2 | Very high | 52 Ų | 52 | 33.8 Ų | 33.8 | 34% | 0.338 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.6 | -178.4 | 28.7 | -34.5 | 0 | 0 | 0 | 112.3 | T970 R997 L1007 | T970-P975 HydrophobicContact CG2-CB 4.48Å; P975-R997 WeakPolarHBondContact O-CD 3.45Å; P975-L1007 HydrophobicContact CB-CD1 4.04Å; P975-L1007 HydrophobicContact CB-CD2 4.33Å; P975-L1007 HydrophobicContact CB-CG 4.27Å; P975-L1007 HydrophobicContact CG-CD1 4.01Å; P975-L1007 HydrophobicContact CG-CG 4.11Å |
| 976 | L | 90 | Very high | 91.9 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -38 | 172.1 | -60.8 | -173.2 | 0 | 0 | 0 | 112.3 | R952 R969 Q971 E974 R997 | R952-L976 HydrophobicContact CG-CD1 4.4Å; R969-L976 WeakPolarHBondContact O-CB 3.04Å; R969-L976 PolarHBondContact O-N 3.35Å; Q971-L976 HydrophobicContact CB-CD1 3.8Å; Q971-L976 HydrophobicContact CB-CD2 4.1Å; Q971-L976 HydrophobicContact CB-CG 3.93Å; E974-L976 PolarHBondContact O-N 3.49Å; L976-R997 WeakPolarHBondContact O-CB 3.49Å; L976-R997 PolarHBondContact O-N 2.69Å |
| 977 | V | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 138.8 | 175.1 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | Y967 T968 R969 V994 W995 R996 E1188 | Y967-V977 HydrophobicContact CE1-CG1 4.1Å; T968-V977 WeakPolarHBondContact CA-O 3.33Å; R969-V977 HydrophobicContact CB-CG1 3.61Å; R969-V977 PolarHBondContact N-O 3.01Å; R969-V977 PolarHBondContact O-N 3.04Å; V977-V994 HydrophobicContact CG2-CG1 3.66Å; V977-W995 VanDerWaalsContact CA-O 3.29Å; V977-W995 WeakPolarHBondContact CA-O 3.48Å; V977-W995 WeakPolarHBondContact CG2-O 3.33Å; V977-R996 HydrophobicContact CG2-CG 4.47Å; V977-E1188 HydrophobicContact CG2-CB 3.95Å |
| 978 | E | 95.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 35 Ų | 35 | 19% | 0.192 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.8 | 165.8 | 174.4 | 176.1 | 164.6 | 0 | 0 | 107.8 | H966 Y967 T968 R980 W995 L1007 | H966-E978 IonicContact CD2-OE1 3.29Å; H966-E978 WeakPolarHBondContact NE2-CG 3.41Å; H966-E978 IonicContact NE2-OE1 3.85Å; H966-E978 PolarHBondContact NE2-OE1 3.12Å; Y967-E978 CarbonylContact O-C 3.54Å; Y967-E978 WeakPolarHBondContact O-CA 3.3Å; T968-E978 HydrophobicContact CG2-CB 4.17Å; T968-E978 HydrophobicContact CG2-CG 4.06Å; E978-R980 IonicContact OE1-CZ 4Å; E978-R980 VanDerWaalsContact OE1-CZ 3.29Å; E978-R980 IonicContact OE1-NE 3.15Å; E978-R980 PolarHBondContact OE1-NE 2.77Å; E978-R980 IonicContact OE1-NH2 2.81Å; E978-R980 PolarHBondContact OE1-NH2 3.08Å; E978-W995 HydrophobicContact CB-CB 4.33Å; E978-W995 HydrophobicContact CG-CE3 4.28Å; E978-W995 PolarHBondContact N-O 2.88Å; E978-W995 PolarHBondContact O-N 2.93Å; E978-L1007 HydrophobicContact CB-CD1 3.9Å |
| 979 | S | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.1 | 178 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | H966 Y967 R993 E1188 | H966-S979 CarbonylContact C-O 3.58Å; H966-S979 WeakPolarHBondContact CA-O 3.27Å; H966-S979 PolarHBondContact CD2-O 3.06Å; Y967-S979 PolarHBondContact N-O 2.72Å; Y967-S979 PolarHBondContact O-N 2.89Å; S979-R993 CarbonylContact C-O 3.07Å; S979-R993 WeakPolarHBondContact CA-O 3.23Å; S979-E1188 WeakPolarHBondContact OG-CG 3.29Å |
| 980 | R | 96.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 25% | 0.245 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.8 | 176.7 | -65.1 | 178.7 | -177.8 | -87.4 | -12.7 | 111.1 | E723 V965 H966 E978 K992 R993 W995 | E723-R980 IonicContact OE2-CZ 3.74Å; E723-R980 IonicContact OE2-NH1 2.8Å; E723-R980 PolarHBondContact OE2-NH1 2.89Å; V965-R980 CarbonylContact O-C 3.57Å; V965-R980 VanDerWaalsContact O-CA 3.26Å; V965-R980 WeakPolarHBondContact O-CA 3.5Å; H966-R980 HydrophobicContact CB-CG 4.34Å; H966-R980 PolarHBondContact CD2-NH2 2.92Å; H966-R980 PolarHBondContact NE2-NH2 3.34Å; E978-R980 IonicContact OE1-CZ 4Å; E978-R980 VanDerWaalsContact OE1-CZ 3.29Å; E978-R980 IonicContact OE1-NE 3.15Å; E978-R980 PolarHBondContact OE1-NE 2.77Å; E978-R980 IonicContact OE1-NH2 2.81Å; E978-R980 PolarHBondContact OE1-NH2 3.08Å; R980-K992 CarbonylContact O-C 3.4Å; R980-K992 WeakPolarHBondContact O-CA 3.28Å; R980-R993 PolarHBondContact N-O 2.91Å; R980-R993 PolarHBondContact O-N 3.04Å; R980-W995 HydrophobicContact CB-CH2 4.44Å; R980-W995 HydrophobicContact CB-CZ3 4.02Å; R980-W995 HydrophobicContact CG-CH2 4.33Å; R980-W995 HydrophobicContact CG-CZ3 3.9Å |
| 981 | Y | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.6 | -174.9 | -46.1 | -87.4 | 0 | 0 | 0 | 109.9 | L964 V965 A991 K992 E1188 | L964-Y981 HydrophobicContact CD2-CE2 3.88Å; L964-Y981 HydrophobicContact CG-CD2 4.23Å; L964-Y981 HydrophobicContact CG-CE2 3.91Å; L964-Y981 WeakPolarHBondContact O-CD2 3.28Å; V965-Y981 PolarHBondContact O-N 2.82Å; Y981-A991 WeakPolarHBondContact CA-O 3.47Å; Y981-K992 HydrophobicContact CD1-CB 4.19Å; Y981-K992 HydrophobicContact CD1-CD 4.14Å; Y981-K992 HydrophobicContact CD1-CG 4.1Å; Y981-K992 HydrophobicContact CE1-CD 3.71Å; Y981-K992 HydrophobicContact CE1-CG 4.1Å; Y981-E1188 PolarHBondContact OH-OE1 2.81Å |
| 982 | L | 96.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.3 | 171.7 | -56.4 | -175.8 | 0 | 0 | 0 | 109.2 | E723 H725 V746 R989 V990 A991 W1015 | E723-L982 HydrophobicContact CB-CD2 3.65Å; E723-L982 HydrophobicContact CG-CD2 4.14Å; H725-L982 HydrophobicContact CB-CD1 4.34Å; V746-L982 HydrophobicContact CG1-CD1 4.14Å; L982-R989 CarbonylContact O-C 3.42Å; L982-R989 WeakPolarHBondContact O-CA 3.47Å; L982-V990 HydrophobicContact CB-CG2 3.87Å; L982-V990 PolarHBondContact O-N 2.98Å; L982-A991 HydrophobicContact CB-CB 3.83Å; L982-A991 HydrophobicContact CD1-CB 3.84Å; L982-A991 HydrophobicContact CG-CB 3.9Å; L982-A991 PolarHBondContact N-O 3.04Å; L982-A991 PolarHBondContact O-N 2.95Å; L982-W1015 HydrophobicContact CD1-CZ3 4.41Å |
| 983 | Y | 95.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154 | 176.2 | -60.4 | -89.6 | 0 | 0 | 0 | 110.4 | H720 S722 R963 L964 V965 G987 R988 R989 Y1193 Y1198 | H720-Y983 PolarHBondContact CE1-O 3.48Å; H720-Y983 PolarHBondContact NE2-O 3.12Å; S722-Y983 WeakPolarHBondContact CB-O 3.3Å; S722-Y983 PolarHBondContact OG-N 3.37Å; S722-Y983 VanDerWaalsContact OG-N 3.09Å; S722-Y983 PolarHBondContact OG-O 2.89Å; R963-Y983 HydrophobicContact CB-CD2 4.01Å; R963-Y983 HydrophobicContact CB-CE1 4.45Å; R963-Y983 HydrophobicContact CB-CE2 3.82Å; R963-Y983 HydrophobicContact CB-CG 4.41Å; L964-Y983 VanDerWaalsContact O-CE2 3.23Å; L964-Y983 WeakPolarHBondContact O-CE2 3.45Å; L964-Y983 PolarHBondContact O-OH 2.84Å; V965-Y983 HydrophobicContact CG1-CD2 4.36Å; V965-Y983 HydrophobicContact CG1-CE2 4.17Å; Y983-G987 WeakPolarHBondContact CD1-O 3.42Å; Y983-R988 CarbonylContact C-O 3.59Å; Y983-R988 VanDerWaalsContact CA-O 3.23Å; Y983-R988 WeakPolarHBondContact CA-O 3.34Å; Y983-R989 HydrophobicContact CD1-CB 4.03Å; Y983-R989 HydrophobicContact CE1-CB 3.84Å; Y983-R989 HydrophobicContact CE1-CG 4.22Å; Y983-Y1193 HydrophobicContact CE1-CE2 4.29Å; Y983-Y1198 PolarHBondContact OH-OH 2.82Å |
| 984 | D | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -85.3 | 172.8 | 163.4 | 76.2 | 8.5 | 0 | 0 | 0 | 111.4 | H720 V727 V729 Q744 L986 G987 R988 V990 | H720-D984 PolarHBondContact CE1-O 2.84Å; H720-D984 VanDerWaalsContact NE2-C 3.28Å; V727-D984 HydrophobicContact CG1-CB 3.61Å; V729-D984 HydrophobicContact CG2-CB 3.98Å; V729-D984 WeakPolarHBondContact CG2-OD2 3.35Å; Q744-D984 PolarHBondContact NE2-OD2 3.22Å; D984-L986 PolarHBondContact O-N 3.35Å; D984-L986 WeakPolarHBondContact OD1-CB 3.36Å; D984-L986 PolarHBondContact OD1-N 2.9Å; D984-L986 VanDerWaalsContact OD1-N 3.09Å; D984-G987 WeakPolarHBondContact O-CA 3.39Å; D984-G987 PolarHBondContact O-N 3.1Å; D984-G987 PolarHBondContact OD1-N 2.94Å; D984-R988 PolarHBondContact N-O 3.33Å; D984-R988 WeakPolarHBondContact OD1-CB 3.14Å; D984-R988 PolarHBondContact OD1-N 3.15Å; D984-R988 IonicContact OD1-NE 3.09Å; D984-R988 IonicContact OD2-CZ 2.7Å; D984-R988 VanDerWaalsContact OD2-CZ 3.22Å; D984-R988 IonicContact OD2-NE 2.77Å; D984-R988 PolarHBondContact OD2-NE 3.13Å; D984-R988 IonicContact OD2-NH2 2.7Å; D984-R988 PolarHBondContact OD2-NH2 3.46Å; D984-V990 HydrophobicContact CB-CG1 3.78Å | ||
| 985 | P | 91 | Very high | 94.4 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.052 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.5 | -179.1 | -26.3 | 36.1 | 0 | 0 | 0 | 114.5 | E705 I718 H720 G987 | E705-P985 HydrophobicContact CB-CB 4.38Å; E705-P985 HydrophobicContact CG-CB 3.84Å; I718-P985 HydrophobicContact CB-CB 3.97Å; I718-P985 HydrophobicContact CB-CG 4.27Å; I718-P985 HydrophobicContact CG2-CB 3.42Å; I718-P985 VanDerWaalsContact CG2-CB 3.42Å; I718-P985 HydrophobicContact CG2-CG 4.09Å; H720-P985 HydrophobicContact CB-CB 4.49Å; H720-P985 HydrophobicContact CB-CG 4.14Å; P985-G987 PolarHBondContact O-N 3.11Å |
| 986 | L | 89.8 | Confident | 94.7 | Very high | 54 Ų | 54 | 18.6 Ų | 18.6 | 28% | 0.283 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.4 | 174.6 | -60.8 | 173.3 | 0 | 0 | 0 | 112.5 | I718 V729 Y731 D984 R988 R1195 | I718-L986 HydrophobicContact CD1-CD2 3.49Å; I718-L986 VanDerWaalsContact CD1-CD2 3.49Å; I718-L986 HydrophobicContact CD1-CG 4.12Å; V729-L986 HydrophobicContact CG2-CD1 4.38Å; Y731-L986 WeakPolarHBondContact OH-CD1 3.5Å; D984-L986 PolarHBondContact O-N 3.35Å; D984-L986 WeakPolarHBondContact OD1-CB 3.36Å; D984-L986 PolarHBondContact OD1-N 2.9Å; D984-L986 VanDerWaalsContact OD1-N 3.09Å; L986-R988 VanDerWaalsContact C-N 3.31Å; L986-R988 HydrophobicContact CB-CG 4.36Å; L986-R988 PolarHBondContact O-N 3.2Å; L986-R1195 PolarHBondContact O-NH1 2.9Å; L986-R1195 PolarHBondContact O-NH2 3.47Å |
| 987 | G | 90.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 75.7 | 13.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y983 D984 P985 R1195 | Y983-G987 WeakPolarHBondContact CD1-O 3.42Å; D984-G987 WeakPolarHBondContact O-CA 3.39Å; D984-G987 PolarHBondContact O-N 3.1Å; D984-G987 PolarHBondContact OD1-N 2.94Å; P985-G987 PolarHBondContact O-N 3.11Å; G987-R1195 VanDerWaalsContact C-NH1 3.32Å; G987-R1195 PolarHBondContact O-NH1 3.19Å |
| 988 | R | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | trans | -78.9 | 132.6 | 175.4 | -63.3 | 178.1 | -57.5 | -179.1 | 3 | 109.4 | V729 E742 Q744 Y983 D984 L986 V990 W1018 G1020 | V729-R988 VanDerWaalsContact CG2-NH2 3.35Å; E742-R988 IonicContact OE1-CZ 3.97Å; E742-R988 IonicContact OE1-NH1 3.65Å; E742-R988 PolarHBondContact OE1-NH1 2.65Å; E742-R988 IonicContact OE1-NH2 2.91Å; E742-R988 PolarHBondContact OE1-NH2 3.5Å; E742-R988 IonicContact OE2-CZ 2.76Å; E742-R988 IonicContact OE2-NH1 3.43Å; E742-R988 PolarHBondContact OE2-NH1 3.04Å; Q744-R988 VanDerWaalsContact NE2-NH2 3.15Å; Y983-R988 CarbonylContact C-O 3.59Å; Y983-R988 VanDerWaalsContact CA-O 3.23Å; Y983-R988 WeakPolarHBondContact CA-O 3.34Å; D984-R988 PolarHBondContact N-O 3.33Å; D984-R988 WeakPolarHBondContact OD1-CB 3.14Å; D984-R988 PolarHBondContact OD1-N 3.15Å; D984-R988 IonicContact OD1-NE 3.09Å; D984-R988 IonicContact OD2-CZ 2.7Å; D984-R988 VanDerWaalsContact OD2-CZ 3.22Å; D984-R988 IonicContact OD2-NE 2.77Å; D984-R988 PolarHBondContact OD2-NE 3.13Å; D984-R988 IonicContact OD2-NH2 2.7Å; D984-R988 PolarHBondContact OD2-NH2 3.46Å; L986-R988 VanDerWaalsContact C-N 3.31Å; L986-R988 HydrophobicContact CB-CG 4.36Å; L986-R988 PolarHBondContact O-N 3.2Å; R988-V990 PolarHBondContact O-N 3.44Å; R988-W1018 HydrophobicContact CB-CD2 3.87Å; R988-W1018 HydrophobicContact CB-CE3 4.36Å; R988-W1018 HydrophobicContact CB-CG 4.19Å; R988-W1018 HydrophobicContact CB-CZ2 4.08Å; R988-W1018 HydrophobicContact CG-CD2 4.05Å; R988-W1018 HydrophobicContact CG-CE3 4.1Å; R988-W1018 HydrophobicContact CG-CG 4.47Å; R988-W1018 HydrophobicContact CG-CZ3 4.45Å; R988-G1020 WeakPolarHBondContact CD-O 3.34Å; R988-G1020 PolarHBondContact NH1-O 2.84Å | ||
| 989 | R | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 113.8 | 177.4 | -171.9 | 168.8 | 69.4 | 173.2 | 8.2 | 110.1 | L982 Y983 Y1016 W1018 D1186 Y1193 Y1198 | L982-R989 CarbonylContact O-C 3.42Å; L982-R989 WeakPolarHBondContact O-CA 3.47Å; Y983-R989 HydrophobicContact CD1-CB 4.03Å; Y983-R989 HydrophobicContact CE1-CB 3.84Å; Y983-R989 HydrophobicContact CE1-CG 4.22Å; R989-Y1016 HydrophobicContact CB-CD2 4.42Å; R989-Y1016 HydrophobicContact CG-CD2 3.84Å; R989-Y1016 HydrophobicContact CG-CE2 3.89Å; R989-Y1016 WeakPolarHBondContact O-CB 3.22Å; R989-Y1016 WeakPolarHBondContact O-CD2 3.33Å; R989-W1018 PolarHBondContact O-NE1 3.27Å; R989-D1186 IonicContact CZ-OD1 2.79Å; R989-D1186 IonicContact CZ-OD2 3.74Å; R989-D1186 VanDerWaalsContact NH1-CG 3.32Å; R989-D1186 IonicContact NH1-OD1 3.72Å; R989-D1186 PolarHBondContact NH1-OD1 2.71Å; R989-D1186 IonicContact NH1-OD2 2.75Å; R989-D1186 PolarHBondContact NH1-OD2 3.21Å; R989-D1186 IonicContact NH2-OD1 3.31Å; R989-D1186 PolarHBondContact NH2-OD1 3.18Å; R989-D1186 IonicContact NH2-OD2 3.64Å; R989-Y1193 HydrophobicContact CB-CD1 4.29Å; R989-Y1193 HydrophobicContact CB-CE1 3.56Å; R989-Y1193 HydrophobicContact CB-CE2 4.29Å; R989-Y1193 PolarHBondContact N-OH 2.75Å; R989-Y1193 VanDerWaalsContact N-OH 3.08Å; R989-Y1198 PolarHBondContact NH1-OH 2.83Å; R989-Y1198 VanDerWaalsContact NH1-OH 3.12Å |
| 990 | V | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -21.3 | 179.4 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | V727 V746 L982 D984 R988 Y1016 | V727-V990 HydrophobicContact CG1-CG2 4.04Å; V727-V990 HydrophobicContact CG2-CG2 4.5Å; V746-V990 HydrophobicContact CG2-CB 4.39Å; V746-V990 HydrophobicContact CG2-CG2 3.93Å; L982-V990 HydrophobicContact CB-CG2 3.87Å; L982-V990 PolarHBondContact O-N 2.98Å; D984-V990 HydrophobicContact CB-CG1 3.78Å; R988-V990 PolarHBondContact O-N 3.44Å; V990-Y1016 PolarHBondContact O-N 2.78Å |
| 991 | A | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y981 L982 T1014 W1015 | Y981-A991 WeakPolarHBondContact CA-O 3.47Å; L982-A991 HydrophobicContact CB-CB 3.83Å; L982-A991 HydrophobicContact CD1-CB 3.84Å; L982-A991 HydrophobicContact CG-CB 3.9Å; L982-A991 PolarHBondContact N-O 3.04Å; L982-A991 PolarHBondContact O-N 2.95Å; A991-T1014 CarbonylContact C-O 3.51Å; A991-T1014 VanDerWaalsContact CA-O 3.3Å; A991-T1014 WeakPolarHBondContact CA-O 3.32Å; A991-W1015 HydrophobicContact CB-CD2 4.32Å; A991-W1015 HydrophobicContact CB-CE3 3.46Å; A991-W1015 VanDerWaalsContact CB-CE3 3.46Å; A991-W1015 HydrophobicContact CB-CH2 4.37Å; A991-W1015 HydrophobicContact CB-CZ3 3.49Å; A991-W1015 VanDerWaalsContact CB-CZ3 3.49Å |
| 992 | K | 96 | Very high | 90.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.057 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.3 | 167.4 | 170.8 | 164.2 | 73.4 | 178.3 | 0 | 109.7 | R980 Y981 V994 V1013 T1014 Y1016 D1186 E1188 | R980-K992 CarbonylContact O-C 3.4Å; R980-K992 WeakPolarHBondContact O-CA 3.28Å; Y981-K992 HydrophobicContact CD1-CB 4.19Å; Y981-K992 HydrophobicContact CD1-CD 4.14Å; Y981-K992 HydrophobicContact CD1-CG 4.1Å; Y981-K992 HydrophobicContact CE1-CD 3.71Å; Y981-K992 HydrophobicContact CE1-CG 4.1Å; K992-V994 HydrophobicContact CD-CG2 3.86Å; K992-V994 HydrophobicContact CG-CG2 3.74Å; K992-V1013 WeakPolarHBondContact O-CA 3.2Å; K992-T1014 PolarHBondContact N-O 3.49Å; K992-T1014 PolarHBondContact O-N 3.16Å; K992-Y1016 HydrophobicContact CB-CE2 3.85Å; K992-Y1016 WeakPolarHBondContact CE-OH 3.34Å; K992-D1186 IonicContact NZ-OD1 3.64Å; K992-D1186 PolarHBondContact NZ-OD1 3.17Å; K992-E1188 WeakPolarHBondContact CD-OE1 3.29Å; K992-E1188 WeakPolarHBondContact CE-OE1 2.94Å; K992-E1188 IonicContact NZ-OE1 2.99Å; K992-E1188 PolarHBondContact NZ-OE1 2.92Å; K992-E1188 IonicContact NZ-OE2 2.81Å; K992-E1188 PolarHBondContact NZ-OE2 2.85Å |
| 993 | R | 96.2 | Very high | 89 | Confident | 70 Ų | 70 | 44.3 Ų | 44.3 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.8 | 178.4 | -61.1 | 172.4 | 65 | -165.1 | 1.5 | 108.3 | S979 R980 W995 P1011 Q1012 V1013 | S979-R993 CarbonylContact C-O 3.07Å; S979-R993 WeakPolarHBondContact CA-O 3.23Å; R980-R993 PolarHBondContact N-O 2.91Å; R980-R993 PolarHBondContact O-N 3.04Å; R993-W995 HydrophobicContact CB-CE3 4.47Å; R993-W995 HydrophobicContact CB-CH2 3.78Å; R993-W995 HydrophobicContact CB-CZ3 3.62Å; R993-W995 WeakPolarHBondContact O-CZ3 3.33Å; R993-P1011 HydrophobicContact CB-CB 3.94Å; R993-P1011 HydrophobicContact CB-CG 4.32Å; R993-Q1012 CarbonylContact C-O 3.52Å; R993-Q1012 WeakPolarHBondContact CA-O 3.2Å; R993-V1013 HydrophobicContact CG-CG1 4.36Å; R993-V1013 HydrophobicContact CG-CG2 4.27Å |
| 994 | V | 96.2 | Very high | 88.1 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.7 | -175.7 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | V977 K992 R996 P1011 Q1012 E1188 | V977-V994 HydrophobicContact CG2-CG1 3.66Å; K992-V994 HydrophobicContact CD-CG2 3.86Å; K992-V994 HydrophobicContact CG-CG2 3.74Å; V994-R996 HydrophobicContact CG1-CG 3.91Å; V994-P1011 CarbonylContact O-C 3.58Å; V994-P1011 VanDerWaalsContact O-CA 3.24Å; V994-P1011 WeakPolarHBondContact O-CA 3.36Å; V994-Q1012 PolarHBondContact N-O 3.42Å; V994-Q1012 PolarHBondContact O-N 2.79Å; V994-E1188 HydrophobicContact CG1-CB 4.4Å |
| 995 | W | 96 | Very high | 87.3 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.4 | 170.6 | -65.5 | -107.7 | 0 | 0 | 0 | 108.3 | V977 E978 R980 R993 L1007 S1008 P1011 | V977-W995 VanDerWaalsContact CA-O 3.29Å; V977-W995 WeakPolarHBondContact CA-O 3.48Å; V977-W995 WeakPolarHBondContact CG2-O 3.33Å; E978-W995 HydrophobicContact CB-CB 4.33Å; E978-W995 HydrophobicContact CG-CE3 4.28Å; E978-W995 PolarHBondContact N-O 2.88Å; E978-W995 PolarHBondContact O-N 2.93Å; R980-W995 HydrophobicContact CB-CH2 4.44Å; R980-W995 HydrophobicContact CB-CZ3 4.02Å; R980-W995 HydrophobicContact CG-CH2 4.33Å; R980-W995 HydrophobicContact CG-CZ3 3.9Å; R993-W995 HydrophobicContact CB-CE3 4.47Å; R993-W995 HydrophobicContact CB-CH2 3.78Å; R993-W995 HydrophobicContact CB-CZ3 3.62Å; R993-W995 WeakPolarHBondContact O-CZ3 3.33Å; W995-L1007 HydrophobicContact CB-CB 4.26Å; W995-L1007 HydrophobicContact CB-CD1 4.37Å; W995-L1007 HydrophobicContact CB-CD2 4.3Å; W995-S1008 VanDerWaalsContact CD1-O 3.23Å; W995-P1011 HydrophobicContact CD2-CB 3.75Å; W995-P1011 HydrophobicContact CD2-CG 4.5Å; W995-P1011 HydrophobicContact CE3-CB 4.04Å; W995-P1011 HydrophobicContact CG-CB 4.31Å; W995-P1011 HydrophobicContact CH2-CB 4.11Å; W995-P1011 HydrophobicContact CH2-CG 4.21Å; W995-P1011 HydrophobicContact CZ2-CB 3.83Å; W995-P1011 HydrophobicContact CZ2-CG 3.72Å; W995-P1011 HydrophobicContact CZ3-CB 4.2Å |
| 996 | R | 92.7 | Very high | 86.9 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.4 | 179.1 | -61 | -169.3 | 178.1 | -77 | 9.8 | 110.1 | V977 V994 E998 L1007 S1008 E1187 | V977-R996 HydrophobicContact CG2-CG 4.47Å; V994-R996 HydrophobicContact CG1-CG 3.91Å; R996-E998 PolarHBondContact O-N 3.03Å; R996-L1007 WeakPolarHBondContact O-CA 3.48Å; R996-S1008 PolarHBondContact N-OG 2.81Å; R996-S1008 PolarHBondContact O-N 2.95Å; R996-E1187 IonicContact CZ-OE1 3.58Å; R996-E1187 IonicContact CZ-OE2 3.58Å; R996-E1187 IonicContact NH2-OE1 2.83Å; R996-E1187 PolarHBondContact NH2-OE1 2.87Å; R996-E1187 IonicContact NH2-OE2 3.85Å; R996-E1187 PolarHBondContact NH2-OE2 2.88Å |
| 997 | R | 88.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 110.3 | 177.2 | -165.4 | -176 | 177.8 | -153.9 | -3.1 | 109.5 | E974 P975 L976 M1005 S1006 L1007 | E974-R997 IonicContact OE2-CZ 2.81Å; E974-R997 VanDerWaalsContact OE2-CZ 3.3Å; E974-R997 IonicContact OE2-NE 3.56Å; E974-R997 IonicContact OE2-NH2 3.6Å; E974-R997 PolarHBondContact OE2-NH2 3.36Å; P975-R997 WeakPolarHBondContact O-CD 3.45Å; L976-R997 WeakPolarHBondContact O-CB 3.49Å; L976-R997 PolarHBondContact O-N 2.69Å; R997-M1005 HydrophobicContact CG-CB 4.2Å; R997-M1005 HydrophobicContact CG-CE 4.05Å; R997-S1006 CarbonylContact C-O 3.44Å; R997-S1006 WeakPolarHBondContact CA-O 3.34Å; R997-L1007 HydrophobicContact CB-CD2 4.48Å |
| 998 | E | 84.5 | Confident | 86.6 | Confident | 93 Ų | 93 | 59 Ų | 59 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 161.5 | -177.3 | -69.9 | 175.2 | 176.3 | 0 | 0 | 109.8 | R996 D1000 M1005 S1006 S1008 | R996-E998 PolarHBondContact O-N 3.03Å; E998-D1000 PolarHBondContact O-N 2.94Å; E998-M1005 WeakPolarHBondContact O-CA 3.2Å; E998-S1006 PolarHBondContact N-O 2.85Å; E998-S1006 PolarHBondContact O-N 3.24Å; E998-S1008 WeakPolarHBondContact OE2-CB 3.3Å |
| 999 | R | 80.6 | Confident | 86.2 | Confident | 180 Ų | 180 | 69 Ų | 69 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.2 | 171.2 | -172 | -177.3 | -64.6 | -86.9 | 7.4 | 108.8 | G1003 M1005 | R999-G1003 PolarHBondContact NH1-O 2.94Å; R999-M1005 HydrophobicContact CB-SD 4.21Å |
| 1000 | D | 70.8 | Confident | 85.8 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | trans | -75.6 | 176.6 | 178.5 | 93.9 | -24.7 | 0 | 0 | 0 | 112.3 | E998 T1002 G1003 W1004 | E998-D1000 PolarHBondContact O-N 2.94Å; D1000-T1002 VanDerWaalsContact CG-OG1 3.29Å; D1000-T1002 PolarHBondContact O-N 3.26Å; D1000-T1002 VanDerWaalsContact O-N 3.09Å; D1000-T1002 VanDerWaalsContact OD1-CA 3.32Å; D1000-T1002 WeakPolarHBondContact OD1-CA 3.39Å; D1000-T1002 WeakPolarHBondContact OD1-CB 3.24Å; D1000-T1002 PolarHBondContact OD1-N 3.43Å; D1000-T1002 PolarHBondContact OD1-OG1 2.94Å; D1000-T1002 PolarHBondContact OD2-OG1 3.1Å; D1000-T1002 VanDerWaalsContact OD2-OG1 3.14Å; D1000-G1003 PolarHBondContact O-N 2.84Å; D1000-G1003 PolarHBondContact OD1-N 2.78Å; D1000-W1004 PolarHBondContact N-O 3.27Å; D1000-W1004 PolarHBondContact OD1-N 2.9Å | ||
| 1001 | L | 72.1 | Confident | 85.6 | Confident | 165 Ų | 165 | 78.7 Ų | 78.7 | 86% | 0.864 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.6 | -179.9 | -66.5 | 173.2 | 0 | 0 | 0 | 114.3 | ||
| 1002 | T | 75.7 | Confident | 85.4 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -5.5 | 176 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | D1000 | D1000-T1002 VanDerWaalsContact CG-OG1 3.29Å; D1000-T1002 PolarHBondContact O-N 3.26Å; D1000-T1002 VanDerWaalsContact O-N 3.09Å; D1000-T1002 VanDerWaalsContact OD1-CA 3.32Å; D1000-T1002 WeakPolarHBondContact OD1-CA 3.39Å; D1000-T1002 WeakPolarHBondContact OD1-CB 3.24Å; D1000-T1002 PolarHBondContact OD1-N 3.43Å; D1000-T1002 PolarHBondContact OD1-OG1 2.94Å; D1000-T1002 PolarHBondContact OD2-OG1 3.1Å; D1000-T1002 VanDerWaalsContact OD2-OG1 3.14Å |
| 1003 | G | 74.2 | Confident | 85.4 | Confident | 31 Ų | 31 | 84.7 Ų | 84.7 | 32% | 0.32 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 91.3 | -3.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R999 D1000 | R999-G1003 PolarHBondContact NH1-O 2.94Å; D1000-G1003 PolarHBondContact O-N 2.84Å; D1000-G1003 PolarHBondContact OD1-N 2.78Å |
| 1004 | W | 75.6 | Confident | 85.4 | Confident | 200 Ų | 200 | 82.3 Ų | 82.3 | 76% | 0.758 | 39% | 0.388 | S | S | * | . | trans | -76 | 147.1 | 175.6 | -81.9 | 106.6 | 0 | 0 | 0 | 111.3 | D1000 | D1000-W1004 PolarHBondContact N-O 3.27Å; D1000-W1004 PolarHBondContact OD1-N 2.9Å | ||
| 1005 | M | 78.5 | Confident | 85.5 | Confident | 82 Ų | 82 | 84 Ų | 84 | 40% | 0.404 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 108 | 176.7 | -72.6 | -70 | -72 | 0 | 0 | 109.7 | R997 E998 R999 | R997-M1005 HydrophobicContact CG-CB 4.2Å; R997-M1005 HydrophobicContact CG-CE 4.05Å; E998-M1005 WeakPolarHBondContact O-CA 3.2Å; R999-M1005 HydrophobicContact CB-SD 4.21Å |
| 1006 | S | 82.2 | Confident | 85.5 | Confident | 52 Ų | 52 | 82.2 Ų | 82.2 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 163.6 | -179 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | R997 E998 | R997-S1006 CarbonylContact C-O 3.44Å; R997-S1006 WeakPolarHBondContact CA-O 3.34Å; E998-S1006 PolarHBondContact N-O 2.85Å; E998-S1006 PolarHBondContact O-N 3.24Å |
| 1007 | L | 86.2 | Confident | 85.7 | Confident | 38 Ų | 38 | 80 Ų | 80 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 141.8 | 172 | -69.1 | 179.9 | 0 | 0 | 0 | 111 | P975 E978 W995 R996 R997 | P975-L1007 HydrophobicContact CB-CD1 4.04Å; P975-L1007 HydrophobicContact CB-CD2 4.33Å; P975-L1007 HydrophobicContact CB-CG 4.27Å; P975-L1007 HydrophobicContact CG-CD1 4.01Å; P975-L1007 HydrophobicContact CG-CG 4.11Å; E978-L1007 HydrophobicContact CB-CD1 3.9Å; W995-L1007 HydrophobicContact CB-CB 4.26Å; W995-L1007 HydrophobicContact CB-CD1 4.37Å; W995-L1007 HydrophobicContact CB-CD2 4.3Å; R996-L1007 WeakPolarHBondContact O-CA 3.48Å; R997-L1007 HydrophobicContact CB-CD2 4.48Å |
| 1008 | S | 87.2 | Confident | 86 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | trans | -52.6 | 137.8 | 179.2 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | W995 R996 E998 K1010 | W995-S1008 VanDerWaalsContact CD1-O 3.23Å; R996-S1008 PolarHBondContact N-OG 2.81Å; R996-S1008 PolarHBondContact O-N 2.95Å; E998-S1008 WeakPolarHBondContact OE2-CB 3.3Å; S1008-K1010 WeakPolarHBondContact CB-O 3.45Å; S1008-K1010 PolarHBondContact O-N 2.92Å; S1008-K1010 VanDerWaalsContact O-N 3.15Å; S1008-K1010 PolarHBondContact OG-O 2.93Å | ||
| 1009 | R | 86.1 | Confident | 86.3 | Confident | 212 Ų | 212 | 74.9 Ų | 74.9 | 80% | 0.8 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -64.6 | -22.6 | -177.2 | -71.7 | -173.1 | -178.1 | 177.7 | 1.3 | 114.4 | ||
| 1010 | K | 88.9 | Confident | 86.6 | Confident | 175 Ų | 175 | 67.8 Ų | 67.8 | 76% | 0.761 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -123.8 | 143.4 | 173.3 | -68.2 | -175.6 | 176.4 | -175.7 | 0 | 108.4 | S1008 | S1008-K1010 WeakPolarHBondContact CB-O 3.45Å; S1008-K1010 PolarHBondContact O-N 2.92Å; S1008-K1010 VanDerWaalsContact O-N 3.15Å; S1008-K1010 PolarHBondContact OG-O 2.93Å |
| 1011 | P | 92.9 | Very high | 87.3 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | trans | -71.6 | 150.4 | 168.8 | 28.6 | -31.6 | 0 | 0 | 0 | 110.8 | R993 V994 W995 V1013 | R993-P1011 HydrophobicContact CB-CB 3.94Å; R993-P1011 HydrophobicContact CB-CG 4.32Å; V994-P1011 CarbonylContact O-C 3.58Å; V994-P1011 VanDerWaalsContact O-CA 3.24Å; V994-P1011 WeakPolarHBondContact O-CA 3.36Å; W995-P1011 HydrophobicContact CD2-CB 3.75Å; W995-P1011 HydrophobicContact CD2-CG 4.5Å; W995-P1011 HydrophobicContact CE3-CB 4.04Å; W995-P1011 HydrophobicContact CG-CB 4.31Å; W995-P1011 HydrophobicContact CH2-CB 4.11Å; W995-P1011 HydrophobicContact CH2-CG 4.21Å; W995-P1011 HydrophobicContact CZ2-CB 3.83Å; W995-P1011 HydrophobicContact CZ2-CG 3.72Å; W995-P1011 HydrophobicContact CZ3-CB 4.2Å; P1011-V1013 HydrophobicContact CB-CG2 4.36Å; P1011-V1013 HydrophobicContact CG-CG2 3.96Å | ||
| 1012 | Q | 93.4 | Very high | 88.1 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.3 | 153.4 | -63.2 | 173.9 | -3.7 | 0 | 0 | 107.2 | R993 V994 | R993-Q1012 CarbonylContact C-O 3.52Å; R993-Q1012 WeakPolarHBondContact CA-O 3.2Å; V994-Q1012 PolarHBondContact N-O 3.42Å; V994-Q1012 PolarHBondContact O-N 2.79Å |
| 1013 | V | 95.5 | Very high | 89 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.9 | -176.8 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | K992 R993 P1011 W1015 | K992-V1013 WeakPolarHBondContact O-CA 3.2Å; R993-V1013 HydrophobicContact CG-CG1 4.36Å; R993-V1013 HydrophobicContact CG-CG2 4.27Å; P1011-V1013 HydrophobicContact CB-CG2 4.36Å; P1011-V1013 HydrophobicContact CG-CG2 3.96Å; V1013-W1015 HydrophobicContact CG1-CD2 4.42Å; V1013-W1015 HydrophobicContact CG1-CZ2 4.13Å |
| 1014 | T | 96.6 | Very high | 90 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.9 | 172.2 | -53.2 | 0 | 0 | 0 | 0 | 108.7 | A991 K992 Y1016 I1026 Q1027 | A991-T1014 CarbonylContact C-O 3.51Å; A991-T1014 VanDerWaalsContact CA-O 3.3Å; A991-T1014 WeakPolarHBondContact CA-O 3.32Å; K992-T1014 PolarHBondContact N-O 3.49Å; K992-T1014 PolarHBondContact O-N 3.16Å; T1014-Y1016 HydrophobicContact CG2-CD1 4.25Å; T1014-Y1016 HydrophobicContact CG2-CE1 3.52Å; T1014-I1026 HydrophobicContact CG2-CG2 3.64Å; T1014-Q1027 CarbonylContact C-O 3.52Å; T1014-Q1027 WeakPolarHBondContact CA-O 3.14Å |
| 1015 | W | 97.3 | Very high | 91 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 152.3 | 174.2 | -62.8 | 107.5 | 0 | 0 | 0 | 111 | V746 L755 W756 L982 A991 V1013 I1026 Q1027 | V746-W1015 HydrophobicContact CB-CH2 4.45Å; V746-W1015 HydrophobicContact CB-CZ3 4.07Å; V746-W1015 HydrophobicContact CG1-CH2 4.16Å; V746-W1015 HydrophobicContact CG1-CZ3 4.02Å; V746-W1015 HydrophobicContact CG2-CZ3 4.04Å; L755-W1015 HydrophobicContact CB-CH2 3.72Å; L755-W1015 HydrophobicContact CB-CZ2 3.85Å; L755-W1015 HydrophobicContact CD1-CH2 4.4Å; W756-W1015 HydrophobicContact CB-CD2 3.64Å; W756-W1015 HydrophobicContact CB-CE3 3.35Å; W756-W1015 HydrophobicContact CB-CG 4.33Å; W756-W1015 HydrophobicContact CB-CH2 3.94Å; W756-W1015 HydrophobicContact CB-CZ2 4.18Å; W756-W1015 HydrophobicContact CB-CZ3 3.51Å; W756-W1015 AromaticContact CD1-CE3 3.91Å; W756-W1015 HydrophobicContact CD2-CB 3.54Å; W756-W1015 AromaticContact CD2-CD2 4Å; W756-W1015 HydrophobicContact CD2-CD2 4Å; W756-W1015 HydrophobicContact CD2-CE3 4.14Å; W756-W1015 AromaticContact CD2-CG 3.77Å; W756-W1015 HydrophobicContact CD2-CG 3.77Å; W756-W1015 HydrophobicContact CE3-CB 3.48Å; W756-W1015 VanDerWaalsContact CE3-CB 3.48Å; W756-W1015 AromaticContact CE3-CD1 3.94Å; W756-W1015 HydrophobicContact CE3-CD2 4.14Å; W756-W1015 AromaticContact CE3-CG 3.58Å; W756-W1015 HydrophobicContact CE3-CG 3.58Å; W756-W1015 HydrophobicContact CG-CB 4.19Å; W756-W1015 AromaticContact CG-CD2 3.81Å; W756-W1015 HydrophobicContact CG-CD2 3.81Å; W756-W1015 AromaticContact CG-CE3 3.53Å; W756-W1015 HydrophobicContact CG-CE3 3.53Å; W756-W1015 HydrophobicContact CG-CG 4.12Å; W756-W1015 HydrophobicContact CG-CZ3 4.15Å; W756-W1015 HydrophobicContact CH2-CB 3.81Å; W756-W1015 HydrophobicContact CZ2-CB 3.86Å; W756-W1015 HydrophobicContact CZ3-CB 3.63Å; W756-W1015 HydrophobicContact CZ3-CG 4.1Å; L982-W1015 HydrophobicContact CD1-CZ3 4.41Å; A991-W1015 HydrophobicContact CB-CD2 4.32Å; A991-W1015 HydrophobicContact CB-CE3 3.46Å; A991-W1015 VanDerWaalsContact CB-CE3 3.46Å; A991-W1015 HydrophobicContact CB-CH2 4.37Å; A991-W1015 HydrophobicContact CB-CZ3 3.49Å; A991-W1015 VanDerWaalsContact CB-CZ3 3.49Å; V1013-W1015 HydrophobicContact CG1-CD2 4.42Å; V1013-W1015 HydrophobicContact CG1-CZ2 4.13Å; W1015-I1026 WeakPolarHBondContact O-CA 3.09Å; W1015-Q1027 PolarHBondContact N-O 3.15Å; W1015-Q1027 PolarHBondContact O-N 2.96Å |
| 1016 | Y | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.7 | -176.2 | -59.6 | -54.7 | 0 | 0 | 0 | 110.3 | W756 R989 V990 K992 T1014 L1023 T1025 I1026 | W756-Y1016 PolarHBondContact NE1-O 2.93Å; R989-Y1016 HydrophobicContact CB-CD2 4.42Å; R989-Y1016 HydrophobicContact CG-CD2 3.84Å; R989-Y1016 HydrophobicContact CG-CE2 3.89Å; R989-Y1016 WeakPolarHBondContact O-CB 3.22Å; R989-Y1016 WeakPolarHBondContact O-CD2 3.33Å; V990-Y1016 PolarHBondContact O-N 2.78Å; K992-Y1016 HydrophobicContact CB-CE2 3.85Å; K992-Y1016 WeakPolarHBondContact CE-OH 3.34Å; T1014-Y1016 HydrophobicContact CG2-CD1 4.25Å; T1014-Y1016 HydrophobicContact CG2-CE1 3.52Å; Y1016-L1023 HydrophobicContact CD1-CD1 3.98Å; Y1016-L1023 HydrophobicContact CD1-CD2 4.5Å; Y1016-L1023 HydrophobicContact CG-CD1 4.1Å; Y1016-T1025 CarbonylContact C-O 3.55Å; Y1016-T1025 VanDerWaalsContact CA-O 3.32Å; Y1016-T1025 WeakPolarHBondContact CA-O 3.41Å; Y1016-I1026 HydrophobicContact CD1-CB 4.4Å; Y1016-I1026 HydrophobicContact CD1-CG1 3.98Å; Y1016-I1026 HydrophobicContact CD1-CG2 4.25Å; Y1016-I1026 HydrophobicContact CE1-CG1 4.15Å; Y1016-I1026 HydrophobicContact CE1-CG2 3.94Å |
| 1017 | G | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | H758 T1024 T1025 | H758-G1017 VanDerWaalsContact CD2-C 3.46Å; H758-G1017 WeakPolarHBondContact CD2-CA 3.47Å; H758-G1017 VanDerWaalsContact CG-CA 3.48Å; G1017-T1024 PolarHBondContact O-N 3.1Å; G1017-T1024 PolarHBondContact O-OG1 3.16Å; G1017-T1025 PolarHBondContact N-O 3.33Å; G1017-T1025 PolarHBondContact O-N 3.36Å |
| 1018 | W | 94.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.2 | -170 | -60.6 | 74.8 | 0 | 0 | 0 | 112.7 | H758 R988 R989 D1021 R1022 L1023 Y1193 | H758-W1018 PolarHBondContact CD2-N 2.99Å; H758-W1018 PolarHBondContact CD2-O 2.94Å; H758-W1018 PolarHBondContact NE2-N 3Å; H758-W1018 PolarHBondContact NE2-O 3.18Å; R988-W1018 HydrophobicContact CB-CD2 3.87Å; R988-W1018 HydrophobicContact CB-CE3 4.36Å; R988-W1018 HydrophobicContact CB-CG 4.19Å; R988-W1018 HydrophobicContact CB-CZ2 4.08Å; R988-W1018 HydrophobicContact CG-CD2 4.05Å; R988-W1018 HydrophobicContact CG-CE3 4.1Å; R988-W1018 HydrophobicContact CG-CG 4.47Å; R988-W1018 HydrophobicContact CG-CZ3 4.45Å; R989-W1018 PolarHBondContact O-NE1 3.27Å; W1018-D1021 VanDerWaalsContact CZ3-O 3.24Å; W1018-D1021 WeakPolarHBondContact CZ3-O 3.17Å; W1018-R1022 VanDerWaalsContact CA-O 3.26Å; W1018-R1022 WeakPolarHBondContact CA-O 3.26Å; W1018-R1022 VanDerWaalsContact CE3-C 3.48Å; W1018-L1023 HydrophobicContact CD2-CB 4.42Å; W1018-L1023 HydrophobicContact CD2-CD1 4.28Å; W1018-L1023 HydrophobicContact CE3-CB 4.18Å; W1018-L1023 HydrophobicContact CH2-CB 4.02Å; W1018-L1023 HydrophobicContact CZ2-CB 4.27Å; W1018-L1023 HydrophobicContact CZ2-CD1 3.92Å; W1018-L1023 HydrophobicContact CZ3-CB 3.97Å; W1018-Y1193 AromaticContact CH2-CE1 3.77Å; W1018-Y1193 HydrophobicContact CH2-CE1 3.77Å; W1018-Y1193 AromaticContact CZ2-CE1 3.84Å; W1018-Y1193 HydrophobicContact CZ2-CE1 3.84Å |
| 1019 | D | 90.2 | Very high | 93 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 101.2 | 168.9 | -177.2 | 11.5 | 0 | 0 | 0 | 106.8 | T760 H762 D1021 R1022 T1024 | T760-D1019 HydrophobicContact CG2-CB 4.09Å; H762-D1019 IonicContact CE1-OD1 3.72Å; H762-D1019 PolarHBondContact CE1-OD1 2.68Å; H762-D1019 IonicContact NE2-OD1 3.44Å; H762-D1019 PolarHBondContact NE2-OD1 2.89Å; H762-D1019 IonicContact NE2-OD2 3.86Å; D1019-D1021 PolarHBondContact O-N 3.09Å; D1019-R1022 PolarHBondContact N-O 3.19Å; D1019-R1022 PolarHBondContact O-N 2.97Å; D1019-R1022 VanDerWaalsContact O-N 3.09Å; D1019-T1024 HydrophobicContact CB-CG2 3.45Å; D1019-T1024 VanDerWaalsContact CB-CG2 3.45Å |
| 1020 | G | 86.9 | Confident | 93.3 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 32% | 0.32 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -128.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E742 R988 | E742-G1020 PolarHBondContact OE2-N 3.13Å; R988-G1020 WeakPolarHBondContact CD-O 3.34Å; R988-G1020 PolarHBondContact NH1-O 2.84Å |
| 1021 | D | 87 | Confident | 93.5 | Very high | 41 Ų | 41 | 39.4 Ų | 39.4 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.8 | 177.9 | -63.8 | -63.4 | 0 | 0 | 0 | 115 | W1018 D1019 F1042 R1195 L1234 I1374 | W1018-D1021 VanDerWaalsContact CZ3-O 3.24Å; W1018-D1021 WeakPolarHBondContact CZ3-O 3.17Å; D1019-D1021 PolarHBondContact O-N 3.09Å; D1021-F1042 HydrophobicContact CB-CZ 4.11Å; D1021-F1042 WeakPolarHBondContact O-CE1 3.48Å; D1021-R1195 IonicContact OD1-CZ 3.98Å; D1021-R1195 IonicContact OD1-NE 2.7Å; D1021-R1195 PolarHBondContact OD1-NE 3.41Å; D1021-R1195 IonicContact OD1-NH2 2.85Å; D1021-R1195 PolarHBondContact OD1-NH2 3.29Å; D1021-L1234 HydrophobicContact CB-CD2 3.76Å; D1021-I1374 WeakPolarHBondContact OD1-CD1 3.22Å |
| 1022 | R | 88.5 | Confident | 93.6 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.7 | 179.6 | -60.4 | -173.7 | -162 | 134.2 | 27.2 | 112.3 | W1018 D1019 T1024 Y1037 Q1038 S1041 F1042 | W1018-R1022 VanDerWaalsContact CA-O 3.26Å; W1018-R1022 WeakPolarHBondContact CA-O 3.26Å; W1018-R1022 VanDerWaalsContact CE3-C 3.48Å; D1019-R1022 PolarHBondContact N-O 3.19Å; D1019-R1022 PolarHBondContact O-N 2.97Å; D1019-R1022 VanDerWaalsContact O-N 3.09Å; R1022-T1024 HydrophobicContact CB-CG2 4.49Å; R1022-T1024 PolarHBondContact O-N 2.92Å; R1022-Y1037 HydrophobicContact CB-CD2 4.02Å; R1022-Y1037 HydrophobicContact CB-CE2 4.05Å; R1022-Q1038 PolarHBondContact NH1-O 3.44Å; R1022-S1041 WeakPolarHBondContact CD-O 3.44Å; R1022-S1041 PolarHBondContact NE-O 2.91Å; R1022-F1042 HydrophobicContact CG-CD1 4.19Å; R1022-F1042 HydrophobicContact CG-CE1 3.98Å; R1022-F1042 HydrophobicContact CG-CZ 4.28Å |
| 1023 | L | 94 | Very high | 93.7 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 84.1 | 175.5 | 178.3 | 62 | 0 | 0 | 0 | 110.8 | Y1016 W1018 I1026 Y1037 Q1184 | Y1016-L1023 HydrophobicContact CD1-CD1 3.98Å; Y1016-L1023 HydrophobicContact CD1-CD2 4.5Å; Y1016-L1023 HydrophobicContact CG-CD1 4.1Å; W1018-L1023 HydrophobicContact CD2-CB 4.42Å; W1018-L1023 HydrophobicContact CD2-CD1 4.28Å; W1018-L1023 HydrophobicContact CE3-CB 4.18Å; W1018-L1023 HydrophobicContact CH2-CB 4.02Å; W1018-L1023 HydrophobicContact CZ2-CB 4.27Å; W1018-L1023 HydrophobicContact CZ2-CD1 3.92Å; W1018-L1023 HydrophobicContact CZ3-CB 3.97Å; L1023-I1026 HydrophobicContact CD2-CD1 4.34Å; L1023-I1026 HydrophobicContact CD2-CG1 4.26Å; L1023-I1026 HydrophobicContact CG-CG1 4.38Å; L1023-Y1037 WeakPolarHBondContact O-CE2 3.44Å; L1023-Y1037 PolarHBondContact O-OH 3.17Å; L1023-Y1037 VanDerWaalsContact O-OH 3.12Å; L1023-Q1184 HydrophobicContact CD2-CB 4.36Å; L1023-Q1184 HydrophobicContact CD2-CG 4.3Å |
| 1024 | T | 95 | Very high | 93.8 | Very high | 15 Ų | 15 | 32 Ų | 32 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -22.7 | -175.4 | 61 | 0 | 0 | 0 | 0 | 114 | H758 G1017 D1019 R1022 Q1034 T1035 | H758-T1024 PolarHBondContact NE2-OG1 3.18Å; G1017-T1024 PolarHBondContact O-N 3.1Å; G1017-T1024 PolarHBondContact O-OG1 3.16Å; D1019-T1024 HydrophobicContact CB-CG2 3.45Å; D1019-T1024 VanDerWaalsContact CB-CG2 3.45Å; R1022-T1024 HydrophobicContact CB-CG2 4.49Å; R1022-T1024 PolarHBondContact O-N 2.92Å; T1024-Q1034 CarbonylContact O-C 3.54Å; T1024-Q1034 VanDerWaalsContact O-CA 3.23Å; T1024-Q1034 WeakPolarHBondContact O-CA 3.32Å; T1024-T1035 PolarHBondContact O-N 2.83Å |
| 1025 | T | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134.5 | -172.2 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | W756 H758 Y1016 G1017 R1032 Q1034 | W756-T1025 HydrophobicContact CH2-CG2 4.14Å; W756-T1025 HydrophobicContact CZ2-CG2 4.4Å; H758-T1025 PolarHBondContact CE1-OG1 3.01Å; H758-T1025 VanDerWaalsContact CE1-OG1 3.3Å; Y1016-T1025 CarbonylContact C-O 3.55Å; Y1016-T1025 VanDerWaalsContact CA-O 3.32Å; Y1016-T1025 WeakPolarHBondContact CA-O 3.41Å; G1017-T1025 PolarHBondContact N-O 3.33Å; G1017-T1025 PolarHBondContact O-N 3.36Å; T1025-R1032 HydrophobicContact CG2-CG 4.21Å; T1025-Q1034 HydrophobicContact CG2-CG 4.06Å |
| 1026 | I | 96.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.7 | 170 | -58.6 | 166.1 | 0 | 0 | 0 | 107.9 | T1014 W1015 Y1016 L1023 R1032 I1033 | T1014-I1026 HydrophobicContact CG2-CG2 3.64Å; W1015-I1026 WeakPolarHBondContact O-CA 3.09Å; Y1016-I1026 HydrophobicContact CD1-CB 4.4Å; Y1016-I1026 HydrophobicContact CD1-CG1 3.98Å; Y1016-I1026 HydrophobicContact CD1-CG2 4.25Å; Y1016-I1026 HydrophobicContact CE1-CG1 4.15Å; Y1016-I1026 HydrophobicContact CE1-CG2 3.94Å; L1023-I1026 HydrophobicContact CD2-CD1 4.34Å; L1023-I1026 HydrophobicContact CD2-CG1 4.26Å; L1023-I1026 HydrophobicContact CG-CG1 4.38Å; I1026-R1032 CarbonylContact O-C 3.58Å; I1026-R1032 WeakPolarHBondContact O-CA 2.98Å; I1026-I1033 PolarHBondContact N-O 2.95Å; I1026-I1033 PolarHBondContact O-N 3.47Å |
| 1027 | Q | 95.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 31 Ų | 31 | 17% | 0.173 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.9 | 179.7 | -176.5 | 173 | -45.6 | 0 | 0 | 112.8 | W756 T1014 W1015 T1031 R1032 | W756-Q1027 HydrophobicContact CH2-CB 3.96Å; W756-Q1027 HydrophobicContact CZ3-CB 4.05Å; W756-Q1027 HydrophobicContact CZ3-CG 4.44Å; T1014-Q1027 CarbonylContact C-O 3.52Å; T1014-Q1027 WeakPolarHBondContact CA-O 3.14Å; W1015-Q1027 PolarHBondContact N-O 3.15Å; W1015-Q1027 PolarHBondContact O-N 2.96Å; Q1027-T1031 WeakPolarHBondContact CA-O 2.86Å; Q1027-R1032 HydrophobicContact CB-CB 4.33Å; Q1027-R1032 HydrophobicContact CB-CG 4.19Å; Q1027-R1032 HydrophobicContact CG-CB 4.11Å; Q1027-R1032 HydrophobicContact CG-CG 4.37Å |
| 1028 | N | 93.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | trans | -126.7 | -170.1 | 169.7 | 62.6 | 59.1 | 0 | 0 | 0 | 110.6 | R1030 T1031 T1052 | N1028-R1030 PolarHBondContact O-N 2.97Å; N1028-R1030 WeakPolarHBondContact OD1-CA 3.34Å; N1028-R1030 WeakPolarHBondContact OD1-CB 3.35Å; N1028-R1030 PolarHBondContact OD1-N 3.24Å; N1028-T1031 PolarHBondContact N-O 2.98Å; N1028-T1031 PolarHBondContact ND2-OG1 2.84Å; N1028-T1031 VanDerWaalsContact ND2-OG1 3.15Å; N1028-T1031 PolarHBondContact OD1-N 2.72Å; N1028-T1031 PolarHBondContact OD1-OG1 2.85Å; N1028-T1052 PolarHBondContact O-OG1 2.91Å | ||
| 1029 | D | 91 | Very high | 91.6 | Very high | 119 Ų | 119 | 31.9 Ų | 31.9 | 64% | 0.636 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -66 | -18.1 | -179.8 | 65 | -44.3 | 0 | 0 | 0 | 114.2 | ||
| 1030 | R | 91.8 | Very high | 90.4 | Very high | 183 Ų | 183 | 30.7 Ų | 30.7 | 69% | 0.691 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -110.9 | -41.4 | -175.3 | -57.4 | 173.7 | -170.4 | -174.1 | 0 | 113.4 | N1028 A1051 T1052 | N1028-R1030 PolarHBondContact O-N 2.97Å; N1028-R1030 WeakPolarHBondContact OD1-CA 3.34Å; N1028-R1030 WeakPolarHBondContact OD1-CB 3.35Å; N1028-R1030 PolarHBondContact OD1-N 3.24Å; R1030-A1051 CarbonylContact O-C 3.38Å; R1030-A1051 WeakPolarHBondContact O-CA 3.38Å; R1030-T1052 VanDerWaalsContact C-OG1 3.23Å; R1030-T1052 PolarHBondContact O-N 3.17Å; R1030-T1052 PolarHBondContact O-OG1 3.43Å |
| 1031 | T | 93.8 | Very high | 89.6 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 17% | 0.172 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149.2 | -173.5 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | Q1027 N1028 E1049 T1052 | Q1027-T1031 WeakPolarHBondContact CA-O 2.86Å; N1028-T1031 PolarHBondContact N-O 2.98Å; N1028-T1031 PolarHBondContact ND2-OG1 2.84Å; N1028-T1031 VanDerWaalsContact ND2-OG1 3.15Å; N1028-T1031 PolarHBondContact OD1-N 2.72Å; N1028-T1031 PolarHBondContact OD1-OG1 2.85Å; T1031-E1049 HydrophobicContact CG2-CG 4.41Å; T1031-T1052 WeakPolarHBondContact CA-OG1 3.46Å; T1031-T1052 PolarHBondContact N-OG1 3.06Å; T1031-T1052 VanDerWaalsContact N-OG1 3.13Å |
| 1032 | R | 94.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.2 | 161.4 | -175.9 | -178.3 | 179.3 | 104.8 | -5.2 | 107.9 | D776 T1025 I1026 Q1027 Q1034 T1050 L1055 | D776-R1032 PolarHBondContact O-NH2 2.83Å; D776-R1032 IonicContact OD1-CZ 3.53Å; D776-R1032 IonicContact OD1-NH2 3.01Å; D776-R1032 PolarHBondContact OD1-NH2 2.92Å; D776-R1032 IonicContact OD2-CZ 2.67Å; D776-R1032 IonicContact OD2-NH1 2.82Å; D776-R1032 IonicContact OD2-NH2 3.94Å; D776-R1032 PolarHBondContact OD2-NH2 3.06Å; T1025-R1032 HydrophobicContact CG2-CG 4.21Å; I1026-R1032 CarbonylContact O-C 3.58Å; I1026-R1032 WeakPolarHBondContact O-CA 2.98Å; Q1027-R1032 HydrophobicContact CB-CB 4.33Å; Q1027-R1032 HydrophobicContact CB-CG 4.19Å; Q1027-R1032 HydrophobicContact CG-CB 4.11Å; Q1027-R1032 HydrophobicContact CG-CG 4.37Å; R1032-Q1034 HydrophobicContact CG-CG 4.19Å; R1032-Q1034 VanDerWaalsContact NE-CD 3.27Å; R1032-T1050 PolarHBondContact N-O 3.09Å; R1032-T1050 PolarHBondContact O-N 2.99Å; R1032-L1055 HydrophobicContact CB-CD1 3.55Å; R1032-L1055 VanDerWaalsContact CD-CD1 3.42Å; R1032-L1055 HydrophobicContact CG-CD1 4.13Å |
| 1033 | I | 96 | Very high | 89.6 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.1 | 175.2 | -59.9 | 160.9 | 0 | 0 | 0 | 106.6 | I1026 R1047 E1049 Q1175 | I1026-I1033 PolarHBondContact N-O 2.95Å; I1026-I1033 PolarHBondContact O-N 3.47Å; I1033-R1047 VanDerWaalsContact CD1-NH2 3.34Å; I1033-R1047 HydrophobicContact CG2-CG 3.98Å; I1033-E1049 HydrophobicContact CG1-CG 4.21Å; I1033-Q1175 HydrophobicContact CD1-CB 4.27Å; I1033-Q1175 HydrophobicContact CD1-CG 4.49Å |
| 1034 | Q | 96.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.4 | 174.3 | -68.8 | 178.5 | -95.7 | 0 | 0 | 109.2 | D776 L778 T1024 T1025 R1032 V1048 | D776-Q1034 PolarHBondContact O-NE2 3.2Å; L778-Q1034 HydrophobicContact CD1-CB 3.8Å; L778-Q1034 HydrophobicContact CD1-CG 4.41Å; T1024-Q1034 CarbonylContact O-C 3.54Å; T1024-Q1034 VanDerWaalsContact O-CA 3.23Å; T1024-Q1034 WeakPolarHBondContact O-CA 3.32Å; T1025-Q1034 HydrophobicContact CG2-CG 4.06Å; R1032-Q1034 HydrophobicContact CG-CG 4.19Å; R1032-Q1034 VanDerWaalsContact NE-CD 3.27Å; Q1034-V1048 PolarHBondContact N-O 2.84Å; Q1034-V1048 PolarHBondContact O-N 3.36Å |
| 1035 | T | 96.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.2 | -176.7 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | T1024 Y1037 P1044 Y1135 I1178 | T1024-T1035 PolarHBondContact O-N 2.83Å; T1035-Y1037 HydrophobicContact CG2-CD1 4.47Å; T1035-Y1037 HydrophobicContact CG2-CD2 4.15Å; T1035-Y1037 HydrophobicContact CG2-CE1 4.12Å; T1035-Y1037 HydrophobicContact CG2-CE2 3.75Å; T1035-Y1037 HydrophobicContact CG2-CG 4.49Å; T1035-P1044 HydrophobicContact CG2-CB 3.68Å; T1035-Y1135 HydrophobicContact CG2-CE2 4.14Å; T1035-I1178 HydrophobicContact CG2-CD1 3.79Å |
| 1036 | I | 94.7 | Very high | 89.7 | Confident | 15 Ų | 15 | 24.7 Ų | 24.7 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.9 | 170.3 | -54.6 | 164.7 | 0 | 0 | 0 | 106.1 | V781 W783 M794 L796 L1045 I1046 V1048 | V781-I1036 HydrophobicContact CG1-CG2 3.96Å; V781-I1036 HydrophobicContact CG2-CD1 3.58Å; V781-I1036 HydrophobicContact CG2-CG1 4.03Å; V781-I1036 HydrophobicContact CG2-CG2 4.37Å; W783-I1036 HydrophobicContact CH2-CG2 4.43Å; W783-I1036 HydrophobicContact CZ2-CG2 3.96Å; M794-I1036 HydrophobicContact CE-CB 4.22Å; M794-I1036 HydrophobicContact CE-CD1 3.47Å; M794-I1036 VanDerWaalsContact CE-CD1 3.47Å; M794-I1036 HydrophobicContact CE-CG1 4.42Å; M794-I1036 HydrophobicContact CE-CG2 3.77Å; L796-I1036 HydrophobicContact CD1-CD1 4.19Å; I1036-L1045 WeakPolarHBondContact O-CA 3.43Å; I1036-L1045 WeakPolarHBondContact O-CB 3.21Å; I1036-L1045 PolarHBondContact O-N 2.76Å; I1036-I1046 HydrophobicContact CB-CB 4.23Å; I1036-I1046 HydrophobicContact CD1-CB 4.33Å; I1036-I1046 HydrophobicContact CD1-CG2 4.33Å; I1036-I1046 PolarHBondContact N-O 2.72Å; I1036-I1046 PolarHBondContact O-N 3.01Å; I1036-V1048 HydrophobicContact CD1-CG2 4.3Å |
| 1037 | Y | 90.1 | Very high | 89.7 | Confident | 20 Ų | 20 | 24.4 Ų | 24.4 | 8% | 0.078 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 165.1 | 174.6 | -65.8 | -88.3 | 0 | 0 | 0 | 110.5 | W783 R1022 L1023 T1035 F1042 T1043 P1044 | W783-Y1037 WeakPolarHBondContact CH2-O 3.45Å; W783-Y1037 WeakPolarHBondContact CZ2-O 3.22Å; R1022-Y1037 HydrophobicContact CB-CD2 4.02Å; R1022-Y1037 HydrophobicContact CB-CE2 4.05Å; L1023-Y1037 WeakPolarHBondContact O-CE2 3.44Å; L1023-Y1037 PolarHBondContact O-OH 3.17Å; L1023-Y1037 VanDerWaalsContact O-OH 3.12Å; T1035-Y1037 HydrophobicContact CG2-CD1 4.47Å; T1035-Y1037 HydrophobicContact CG2-CD2 4.15Å; T1035-Y1037 HydrophobicContact CG2-CE1 4.12Å; T1035-Y1037 HydrophobicContact CG2-CE2 3.75Å; T1035-Y1037 HydrophobicContact CG2-CG 4.49Å; Y1037-F1042 WeakPolarHBondContact CD1-O 3.47Å; Y1037-F1042 WeakPolarHBondContact CE1-O 3.31Å; Y1037-T1043 WeakPolarHBondContact CA-O 3.29Å; Y1037-P1044 HydrophobicContact CD1-CB 4.32Å; Y1037-P1044 HydrophobicContact CE1-CB 4.23Å |
| 1038 | Q | 85.4 | Confident | 89.7 | Confident | 11 Ų | 11 | 22.7 Ų | 22.7 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 154.4 | 156.3 | -55.5 | -168.7 | -67.9 | 0 | 0 | 108.4 | R1022 T1043 L1045 | R1022-Q1038 PolarHBondContact NH1-O 3.44Å; Q1038-T1043 HydrophobicContact CG-CG2 4.42Å; Q1038-T1043 PolarHBondContact N-O 3.22Å; Q1038-L1045 HydrophobicContact CG-CB 4.16Å; Q1038-L1045 HydrophobicContact CG-CD1 4.49Å |
| 1039 | P | 69.8 | Low | 89.7 | Confident | 15 Ų | 15 | 22.7 Ų | 22.7 | 10% | 0.097 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 162.8 | 169.3 | -21.1 | 35.5 | 0 | 0 | 0 | 109.8 | W783 L791 S1041 A1336 | W783-P1039 HydrophobicContact CD2-CG 3.59Å; W783-P1039 HydrophobicContact CE3-CG 3.83Å; W783-P1039 HydrophobicContact CG-CG 4.1Å; W783-P1039 HydrophobicContact CH2-CG 4.13Å; W783-P1039 HydrophobicContact CZ2-CG 3.9Å; W783-P1039 HydrophobicContact CZ3-CG 4.08Å; L791-P1039 HydrophobicContact CD1-CG 3.92Å; L791-P1039 HydrophobicContact CD2-CG 4.19Å; P1039-S1041 WeakPolarHBondContact O-CB 3.22Å; P1039-S1041 PolarHBondContact O-N 2.68Å; P1039-A1336 HydrophobicContact CB-CB 4.06Å; P1039-A1336 WeakPolarHBondContact O-CB 3.44Å |
| 1040 | G | 63.8 | Low | 89.9 | Confident | 15 Ų | 15 | 17 Ų | 17 | 16% | 0.155 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 38.3 | 26.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | I1283 A1336 | G1040-I1283 CarbonylContact C-O 3.54Å; G1040-A1336 VanDerWaalsContact CA-CB 3.41Å |
| 1041 | S | 71.8 | Confident | 89.9 | Confident | 4 Ų | 4 | 10.3 Ų | 10.3 | 3% | 0.028 | 6% | 0.064 | C | C | . | . | B | Isolated β-bridge | trans | -150.8 | 151.5 | -168 | -168.2 | 0 | 0 | 0 | 0 | 111 | R1022 P1039 T1043 | R1022-S1041 WeakPolarHBondContact CD-O 3.44Å; R1022-S1041 PolarHBondContact NE-O 2.91Å; P1039-S1041 WeakPolarHBondContact O-CB 3.22Å; P1039-S1041 PolarHBondContact O-N 2.68Å; S1041-T1043 VanDerWaalsContact C-N 3.33Å; S1041-T1043 PolarHBondContact OG-N 3.17Å; S1041-T1043 PolarHBondContact OG-OG1 2.71Å |
| 1042 | F | 85.1 | Confident | 89.7 | Confident | 6 Ų | 6 | 10.5 Ų | 10.5 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -92.1 | 7.5 | 170.9 | -70.6 | -98.9 | 0 | 0 | 0 | 113.2 | D1021 R1022 Y1037 P1044 P1181 P1233 L1234 | D1021-F1042 HydrophobicContact CB-CZ 4.11Å; D1021-F1042 WeakPolarHBondContact O-CE1 3.48Å; R1022-F1042 HydrophobicContact CG-CD1 4.19Å; R1022-F1042 HydrophobicContact CG-CE1 3.98Å; R1022-F1042 HydrophobicContact CG-CZ 4.28Å; Y1037-F1042 WeakPolarHBondContact CD1-O 3.47Å; Y1037-F1042 WeakPolarHBondContact CE1-O 3.31Å; F1042-P1044 WeakPolarHBondContact O-CD 3.49Å; F1042-P1181 HydrophobicContact CB-CB 3.62Å; F1042-P1233 HydrophobicContact CB-CB 3.89Å; F1042-P1233 HydrophobicContact CD1-CB 4.24Å; F1042-P1233 HydrophobicContact CD2-CB 3.45Å; F1042-P1233 VanDerWaalsContact CD2-CB 3.45Å; F1042-P1233 HydrophobicContact CD2-CG 4.33Å; F1042-P1233 HydrophobicContact CE2-CB 3.98Å; F1042-P1233 HydrophobicContact CG-CB 3.6Å; F1042-L1234 HydrophobicContact CZ-CD2 3.87Å; F1042-L1234 HydrophobicContact CZ-CG 4.38Å |
| 1043 | T | 90.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 12.5 Ų | 12.5 | 12% | 0.117 | 9% | 0.088 | C | C | . | . | trans | -74.4 | 116.6 | 172.6 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | Y1037 Q1038 S1041 | Y1037-T1043 WeakPolarHBondContact CA-O 3.29Å; Q1038-T1043 HydrophobicContact CG-CG2 4.42Å; Q1038-T1043 PolarHBondContact N-O 3.22Å; S1041-T1043 VanDerWaalsContact C-N 3.33Å; S1041-T1043 PolarHBondContact OG-N 3.17Å; S1041-T1043 PolarHBondContact OG-OG1 2.71Å | ||
| 1044 | P | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 141.5 | 177.6 | 32.1 | -36.2 | 0 | 0 | 0 | 110.5 | T1035 Y1037 F1042 Y1135 P1143 I1178 | T1035-P1044 HydrophobicContact CG2-CB 3.68Å; Y1037-P1044 HydrophobicContact CD1-CB 4.32Å; Y1037-P1044 HydrophobicContact CE1-CB 4.23Å; F1042-P1044 WeakPolarHBondContact O-CD 3.49Å; P1044-Y1135 HydrophobicContact CB-CD1 3.82Å; P1044-Y1135 HydrophobicContact CB-CD2 3.86Å; P1044-Y1135 HydrophobicContact CB-CE1 4.02Å; P1044-Y1135 HydrophobicContact CB-CE2 4.07Å; P1044-Y1135 HydrophobicContact CB-CG 3.75Å; P1044-Y1135 HydrophobicContact CG-CD1 3.63Å; P1044-Y1135 HydrophobicContact CG-CE1 4.03Å; P1044-Y1135 HydrophobicContact CG-CG 3.91Å; P1044-Y1135 WeakPolarHBondContact O-CB 3.4Å; P1044-P1143 HydrophobicContact CG-CG 3.83Å; P1044-I1178 HydrophobicContact CB-CD1 4.05Å; P1044-I1178 HydrophobicContact CG-CD1 4.37Å; P1044-I1178 HydrophobicContact CG-CG2 4.22Å |
| 1045 | L | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -54.4 | -179.3 | -175.1 | 66.8 | 0 | 0 | 0 | 112.2 | W783 V802 F804 I1036 Q1038 L1134 Y1135 | W783-L1045 HydrophobicContact CH2-CD2 3.79Å; W783-L1045 HydrophobicContact CZ3-CD2 4.01Å; V802-L1045 HydrophobicContact CG2-CD2 4.21Å; V802-L1045 HydrophobicContact CG2-CG 4.42Å; F804-L1045 HydrophobicContact CZ-CD2 4.27Å; I1036-L1045 WeakPolarHBondContact O-CA 3.43Å; I1036-L1045 WeakPolarHBondContact O-CB 3.21Å; I1036-L1045 PolarHBondContact O-N 2.76Å; Q1038-L1045 HydrophobicContact CG-CB 4.16Å; Q1038-L1045 HydrophobicContact CG-CD1 4.49Å; L1045-L1134 HydrophobicContact CD1-CD1 3.97Å; L1045-L1134 HydrophobicContact CG-CD1 4.45Å; L1045-Y1135 PolarHBondContact O-N 2.76Å |
| 1046 | I | 96.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.6 | -179.1 | -61.1 | -64.4 | 0 | 0 | 0 | 110.7 | M794 L801 V802 F817 I1036 V1048 I1132 H1133 L1134 | M794-I1046 HydrophobicContact CE-CB 4.34Å; M794-I1046 HydrophobicContact CE-CG1 3.92Å; L801-I1046 HydrophobicContact CD1-CG2 4.45Å; V802-I1046 HydrophobicContact CG2-CD1 3.78Å; V802-I1046 HydrophobicContact CG2-CG1 4.17Å; F817-I1046 HydrophobicContact CD2-CD1 3.77Å; F817-I1046 HydrophobicContact CE2-CD1 3.56Å; F817-I1046 HydrophobicContact CZ-CD1 4.4Å; I1036-I1046 HydrophobicContact CB-CB 4.23Å; I1036-I1046 HydrophobicContact CD1-CB 4.33Å; I1036-I1046 HydrophobicContact CD1-CG2 4.33Å; I1036-I1046 PolarHBondContact N-O 2.72Å; I1036-I1046 PolarHBondContact O-N 3.01Å; I1046-V1048 HydrophobicContact CG2-CG2 3.91Å; I1046-I1132 HydrophobicContact CG2-CG2 3.86Å; I1046-H1133 WeakPolarHBondContact CA-O 3.26Å; I1046-L1134 HydrophobicContact CD1-CD1 3.89Å |
| 1047 | R | 96.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.1 | 165.3 | -168.9 | -172.5 | 173.7 | 103.4 | -10.2 | 108.8 | I1033 E1049 I1132 H1133 Y1135 L1146 Q1175 | I1033-R1047 VanDerWaalsContact CD1-NH2 3.34Å; I1033-R1047 HydrophobicContact CG2-CG 3.98Å; R1047-E1049 IonicContact CZ-OE2 3.45Å; R1047-E1049 IonicContact NE-OE2 3.65Å; R1047-E1049 PolarHBondContact NE-OE2 2.94Å; R1047-E1049 IonicContact NH2-OE2 3.88Å; R1047-E1049 PolarHBondContact NH2-OE2 2.84Å; R1047-I1132 WeakPolarHBondContact O-CA 3.35Å; R1047-H1133 HydrophobicContact CB-CB 4.14Å; R1047-H1133 PolarHBondContact N-O 3.04Å; R1047-H1133 PolarHBondContact O-N 3Å; R1047-Y1135 HydrophobicContact CB-CD2 4.08Å; R1047-Y1135 HydrophobicContact CB-CE2 3.47Å; R1047-Y1135 VanDerWaalsContact CB-CE2 3.47Å; R1047-Y1135 HydrophobicContact CG-CE2 4.17Å; R1047-L1146 HydrophobicContact CB-CD2 4.43Å; R1047-Q1175 VanDerWaalsContact CZ-O 3.29Å; R1047-Q1175 PolarHBondContact NH1-O 2.97Å; R1047-Q1175 PolarHBondContact NH2-O 2.82Å |
| 1048 | V | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 112 | 166.7 | -171 | 0 | 0 | 0 | 0 | 108.5 | L778 L796 Q1034 I1036 I1046 R1130 I1132 | L778-V1048 HydrophobicContact CD2-CB 4.21Å; L778-V1048 HydrophobicContact CD2-CG1 3.69Å; L796-V1048 HydrophobicContact CD2-CG2 4.11Å; Q1034-V1048 PolarHBondContact N-O 2.84Å; Q1034-V1048 PolarHBondContact O-N 3.36Å; I1036-V1048 HydrophobicContact CD1-CG2 4.3Å; I1046-V1048 HydrophobicContact CG2-CG2 3.91Å; V1048-R1130 HydrophobicContact CG1-CB 4.14Å; V1048-R1130 HydrophobicContact CG1-CG 4.28Å; V1048-I1132 HydrophobicContact CG1-CG1 4.39Å |
| 1049 | E | 94.8 | Very high | 86 | Confident | 21 Ų | 21 | 32 Ų | 32 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.9 | -179.8 | -176.9 | -179.6 | 118.2 | 0 | 0 | 110.1 | T1031 I1033 R1047 R1130 K1131 | T1031-E1049 HydrophobicContact CG2-CG 4.41Å; I1033-E1049 HydrophobicContact CG1-CG 4.21Å; R1047-E1049 IonicContact CZ-OE2 3.45Å; R1047-E1049 IonicContact NE-OE2 3.65Å; R1047-E1049 PolarHBondContact NE-OE2 2.94Å; R1047-E1049 IonicContact NH2-OE2 3.88Å; R1047-E1049 PolarHBondContact NH2-OE2 2.84Å; E1049-R1130 WeakPolarHBondContact O-CA 3.25Å; E1049-K1131 HydrophobicContact CB-CB 4.35Å; E1049-K1131 PolarHBondContact N-O 3.34Å; E1049-K1131 PolarHBondContact O-N 3.13Å; E1049-K1131 IonicContact OE1-NZ 3.7Å |
| 1050 | T | 94.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.3 | 176.2 | -42.4 | 0 | 0 | 0 | 0 | 108.5 | R1032 E1054 L1055 P1128 R1130 | R1032-T1050 PolarHBondContact N-O 3.09Å; R1032-T1050 PolarHBondContact O-N 2.99Å; T1050-E1054 HydrophobicContact CG2-CB 4.19Å; T1050-L1055 HydrophobicContact CG2-CD1 4.46Å; T1050-L1055 HydrophobicContact CG2-CD2 3.74Å; T1050-L1055 HydrophobicContact CG2-CG 3.72Å; T1050-P1128 HydrophobicContact CG2-CB 3.88Å; T1050-P1128 HydrophobicContact CG2-CG 4.23Å; T1050-R1130 HydrophobicContact CG2-CG 4.3Å |
| 1051 | A | 92.4 | Very high | 87.1 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 139.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1030 G1053 E1054 L1055 | R1030-A1051 CarbonylContact O-C 3.38Å; R1030-A1051 WeakPolarHBondContact O-CA 3.38Å; A1051-G1053 PolarHBondContact O-N 2.84Å; A1051-E1054 HydrophobicContact CB-CB 4.31Å; A1051-E1054 HydrophobicContact CB-CG 4.05Å; A1051-E1054 WeakPolarHBondContact O-CA 3.2Å; A1051-E1054 WeakPolarHBondContact O-CB 3.49Å; A1051-E1054 PolarHBondContact O-N 2.79Å; A1051-L1055 PolarHBondContact O-N 3.16Å |
| 1052 | T | 89.1 | Confident | 87.7 | Confident | 31 Ų | 31 | 40.1 Ų | 40.1 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -32 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | N1028 R1030 T1031 L1055 A1056 | N1028-T1052 PolarHBondContact O-OG1 2.91Å; R1030-T1052 VanDerWaalsContact C-OG1 3.23Å; R1030-T1052 PolarHBondContact O-N 3.17Å; R1030-T1052 PolarHBondContact O-OG1 3.43Å; T1031-T1052 WeakPolarHBondContact CA-OG1 3.46Å; T1031-T1052 PolarHBondContact N-OG1 3.06Å; T1031-T1052 VanDerWaalsContact N-OG1 3.13Å; T1052-L1055 PolarHBondContact O-N 2.75Å; T1052-A1056 PolarHBondContact O-N 2.75Å |
| 1053 | G | 87.2 | Confident | 87.8 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 50% | 0.495 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.2 | -23.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1051 | A1051-G1053 PolarHBondContact O-N 2.84Å |
| 1054 | E | 88.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.5 | -37.3 | 170.5 | -72 | -60.5 | 133.2 | 0 | 0 | 111.3 | T1050 A1051 A1056 K1057 Y1126 P1128 A1129 | T1050-E1054 HydrophobicContact CG2-CB 4.19Å; A1051-E1054 HydrophobicContact CB-CB 4.31Å; A1051-E1054 HydrophobicContact CB-CG 4.05Å; A1051-E1054 WeakPolarHBondContact O-CA 3.2Å; A1051-E1054 WeakPolarHBondContact O-CB 3.49Å; A1051-E1054 PolarHBondContact O-N 2.79Å; E1054-A1056 VanDerWaalsContact C-N 3.32Å; E1054-A1056 PolarHBondContact O-N 2.92Å; E1054-K1057 WeakPolarHBondContact O-CB 3.29Å; E1054-K1057 PolarHBondContact O-N 3.09Å; E1054-K1057 WeakPolarHBondContact OE1-CE 3.35Å; E1054-K1057 IonicContact OE1-NZ 2.65Å; E1054-K1057 PolarHBondContact OE1-NZ 2.62Å; E1054-K1057 IonicContact OE2-NZ 3.38Å; E1054-K1057 PolarHBondContact OE2-NZ 3.08Å; E1054-Y1126 PolarHBondContact OE2-OH 2.86Å; E1054-P1128 HydrophobicContact CB-CB 4.08Å; E1054-A1129 HydrophobicContact CG-CB 4.4Å |
| 1055 | L | 84.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 172.6 | -68.3 | 170.5 | 0 | 0 | 0 | 111.7 | R1032 T1050 A1051 T1052 K1057 T1058 P1128 | R1032-L1055 HydrophobicContact CB-CD1 3.55Å; R1032-L1055 VanDerWaalsContact CD-CD1 3.42Å; R1032-L1055 HydrophobicContact CG-CD1 4.13Å; T1050-L1055 HydrophobicContact CG2-CD1 4.46Å; T1050-L1055 HydrophobicContact CG2-CD2 3.74Å; T1050-L1055 HydrophobicContact CG2-CG 3.72Å; A1051-L1055 PolarHBondContact O-N 3.16Å; T1052-L1055 PolarHBondContact O-N 2.75Å; L1055-K1057 PolarHBondContact O-N 2.79Å; L1055-K1057 VanDerWaalsContact O-N 3.17Å; L1055-T1058 WeakPolarHBondContact O-CB 3.48Å; L1055-T1058 PolarHBondContact O-N 2.88Å; L1055-T1058 PolarHBondContact O-OG1 3Å; L1055-P1128 HydrophobicContact CD2-CG 4.35Å |
| 1056 | A | 81.3 | Confident | 86.7 | Confident | 64 Ų | 64 | 42.8 Ų | 42.8 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.7 | -29.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1052 E1054 T1058 Q1059 | T1052-A1056 PolarHBondContact O-N 2.75Å; E1054-A1056 VanDerWaalsContact C-N 3.32Å; E1054-A1056 PolarHBondContact O-N 2.92Å; A1056-T1058 PolarHBondContact O-N 3.39Å; A1056-Q1059 WeakPolarHBondContact O-CB 3.09Å; A1056-Q1059 PolarHBondContact O-N 2.81Å |
| 1057 | K | 84.1 | Confident | 86.2 | Confident | 111 Ų | 111 | 44.2 Ų | 44.2 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.5 | 175.5 | -63.1 | 172.4 | -179.6 | 176.1 | 0 | 114 | E1054 L1055 Y1126 | E1054-K1057 WeakPolarHBondContact O-CB 3.29Å; E1054-K1057 PolarHBondContact O-N 3.09Å; E1054-K1057 WeakPolarHBondContact OE1-CE 3.35Å; E1054-K1057 IonicContact OE1-NZ 2.65Å; E1054-K1057 PolarHBondContact OE1-NZ 2.62Å; E1054-K1057 IonicContact OE2-NZ 3.38Å; E1054-K1057 PolarHBondContact OE2-NZ 3.08Å; L1055-K1057 PolarHBondContact O-N 2.79Å; L1055-K1057 VanDerWaalsContact O-N 3.17Å; K1057-Y1126 HydrophobicContact CB-CD1 3.58Å; K1057-Y1126 HydrophobicContact CB-CE1 3.51Å; K1057-Y1126 HydrophobicContact CB-CG 4.37Å; K1057-Y1126 HydrophobicContact CD-CE1 3.71Å; K1057-Y1126 HydrophobicContact CG-CE1 4.3Å |
| 1058 | T | 78.1 | Confident | 85.6 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.9 | 174.6 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | L1055 A1056 R1060 Y1126 P1128 | L1055-T1058 WeakPolarHBondContact O-CB 3.48Å; L1055-T1058 PolarHBondContact O-N 2.88Å; L1055-T1058 PolarHBondContact O-OG1 3Å; A1056-T1058 PolarHBondContact O-N 3.39Å; T1058-R1060 PolarHBondContact O-N 2.58Å; T1058-Y1126 HydrophobicContact CG2-CD1 4.22Å; T1058-P1128 HydrophobicContact CG2-CB 4.1Å; T1058-P1128 HydrophobicContact CG2-CG 3.81Å |
| 1059 | Q | 72.5 | Confident | 84.6 | Confident | 173 Ų | 173 | 51.6 Ų | 51.6 | 81% | 0.808 | 28% | 0.277 | S | S | * | . | trans | -71 | 95.2 | 175.6 | -170.2 | 174.6 | 7 | 0 | 0 | 110.2 | A1056 | A1056-Q1059 WeakPolarHBondContact O-CB 3.09Å; A1056-Q1059 PolarHBondContact O-N 2.81Å | ||
| 1060 | R | 76.5 | Confident | 83.4 | Confident | 78 Ų | 78 | 54 Ų | 54 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 154.2 | 171.7 | 68.5 | -162.6 | -166.8 | 80.8 | 25.2 | 110.7 | T1058 E1092 D1123 | T1058-R1060 PolarHBondContact O-N 2.58Å; R1060-E1092 IonicContact CZ-OE1 2.72Å; R1060-E1092 IonicContact CZ-OE2 3.2Å; R1060-E1092 IonicContact NH1-OE1 3.17Å; R1060-E1092 PolarHBondContact NH1-OE1 3.17Å; R1060-E1092 IonicContact NH1-OE2 3.69Å; R1060-E1092 IonicContact NH2-OE1 3.38Å; R1060-E1092 PolarHBondContact NH2-OE1 3.03Å; R1060-E1092 IonicContact NH2-OE2 2.76Å; R1060-E1092 PolarHBondContact NH2-OE2 2.82Å; R1060-D1123 HydrophobicContact CB-CB 3.98Å |
| 1061 | R | 79.9 | Confident | 81.7 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 39% | 0.389 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 146.7 | 165.2 | -66.3 | 171 | -65.3 | 169.7 | 6.2 | 108.5 | D1065 D1123 | R1061-D1065 HydrophobicContact CB-CB 3.95Å; R1061-D1123 WeakPolarHBondContact CB-OD2 3.22Å; R1061-D1123 IonicContact CZ-OD1 3.7Å; R1061-D1123 IonicContact CZ-OD2 3.55Å; R1061-D1123 PolarHBondContact N-OD2 3.08Å; R1061-D1123 IonicContact NE-OD1 3.79Å; R1061-D1123 IonicContact NE-OD2 2.86Å; R1061-D1123 PolarHBondContact NE-OD2 3.34Å; R1061-D1123 IonicContact NH2-OD1 2.76Å; R1061-D1123 PolarHBondContact NH2-OD1 2.76Å; R1061-D1123 IonicContact NH2-OD2 3.36Å; R1061-D1123 PolarHBondContact NH2-OD2 3.43Å |
| 1062 | S | 83.4 | Confident | 79.8 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 158.9 | 169 | 64.3 | 0 | 0 | 0 | 0 | 110 | A1064 D1065 A1066 | S1062-A1064 PolarHBondContact O-N 3.22Å; S1062-D1065 PolarHBondContact N-OD2 2.8Å; S1062-D1065 PolarHBondContact O-N 2.85Å; S1062-D1065 WeakPolarHBondContact OG-CB 3.16Å; S1062-D1065 PolarHBondContact OG-N 2.86Å; S1062-D1065 PolarHBondContact OG-OD2 2.72Å; S1062-A1066 PolarHBondContact O-N 2.8Å |
| 1063 | L | 87.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.1 | -35 | 171 | 178.1 | 60 | 0 | 0 | 0 | 110.8 | L1067 L1088 L1091 E1092 M1118 Q1121 M1122 | L1063-L1067 HydrophobicContact CD1-CD1 3.92Å; L1063-L1067 HydrophobicContact CD1-CG 4.17Å; L1063-L1067 HydrophobicContact CG-CD1 4.03Å; L1063-L1067 WeakPolarHBondContact O-CB 2.92Å; L1063-L1067 WeakPolarHBondContact O-CD1 3.28Å; L1063-L1067 VanDerWaalsContact O-CG 3.25Å; L1063-L1067 WeakPolarHBondContact O-CG 3.49Å; L1063-L1067 PolarHBondContact O-N 2.67Å; L1063-L1067 VanDerWaalsContact O-N 3.11Å; L1063-L1088 HydrophobicContact CD2-CD2 4.02Å; L1063-L1088 HydrophobicContact CG-CD2 4.16Å; L1063-L1091 HydrophobicContact CD2-CD2 3.94Å; L1063-L1091 HydrophobicContact CD2-CG 4.29Å; L1063-E1092 HydrophobicContact CB-CB 3.89Å; L1063-E1092 HydrophobicContact CB-CG 4.16Å; L1063-E1092 WeakPolarHBondContact CB-OE1 3.36Å; L1063-E1092 HydrophobicContact CD2-CB 4.21Å; L1063-E1092 PolarHBondContact N-OE1 3.27Å; L1063-E1092 PolarHBondContact N-OE2 2.79Å; L1063-M1118 HydrophobicContact CD2-CB 4.4Å; L1063-Q1121 HydrophobicContact CD1-CB 3.85Å; L1063-M1122 HydrophobicContact CB-CG 4.43Å; L1063-M1122 HydrophobicContact CD1-CG 4.05Å |
| 1064 | A | 88.1 | Confident | 76.7 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1062 A1066 L1067 Q1068 V1085 L1088 | S1062-A1064 PolarHBondContact O-N 3.22Å; A1064-A1066 PolarHBondContact O-N 3.3Å; A1064-L1067 PolarHBondContact O-N 2.75Å; A1064-Q1068 WeakPolarHBondContact O-CB 3.23Å; A1064-Q1068 WeakPolarHBondContact O-CG 3.42Å; A1064-Q1068 PolarHBondContact O-N 3.22Å; A1064-V1085 HydrophobicContact CB-CB 4.39Å; A1064-V1085 HydrophobicContact CB-CG1 3.94Å; A1064-V1085 HydrophobicContact CB-CG2 4.35Å; A1064-L1088 HydrophobicContact CB-CB 4.14Å; A1064-L1088 HydrophobicContact CB-CD1 4.13Å |
| 1065 | D | 84.8 | Confident | 75.1 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 179.6 | -66.7 | -46.4 | 0 | 0 | 0 | 113.1 | R1061 S1062 L1067 Q1068 Q1069 | R1061-D1065 HydrophobicContact CB-CB 3.95Å; S1062-D1065 PolarHBondContact N-OD2 2.8Å; S1062-D1065 PolarHBondContact O-N 2.85Å; S1062-D1065 WeakPolarHBondContact OG-CB 3.16Å; S1062-D1065 PolarHBondContact OG-N 2.86Å; S1062-D1065 PolarHBondContact OG-OD2 2.72Å; D1065-L1067 VanDerWaalsContact C-N 3.34Å; D1065-L1067 PolarHBondContact O-N 2.69Å; D1065-Q1068 PolarHBondContact O-N 2.8Å; D1065-Q1069 WeakPolarHBondContact O-CB 3.26Å; D1065-Q1069 VanDerWaalsContact O-CG 3.31Å; D1065-Q1069 WeakPolarHBondContact O-CG 3.13Å; D1065-Q1069 PolarHBondContact O-N 2.92Å |
| 1066 | A | 84.7 | Confident | 73.7 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 8% | 0.083 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1062 A1064 S1070 | S1062-A1066 PolarHBondContact O-N 2.8Å; A1064-A1066 PolarHBondContact O-N 3.3Å; A1066-S1070 WeakPolarHBondContact O-CB 3.49Å; A1066-S1070 PolarHBondContact O-N 2.98Å; A1066-S1070 VanDerWaalsContact O-N 3.16Å; A1066-S1070 PolarHBondContact O-OG 2.79Å |
| 1067 | L | 85.6 | Confident | 72.6 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 177.4 | -72 | 172.7 | 0 | 0 | 0 | 112.5 | L1063 A1064 D1065 Q1069 S1070 G1071 F1080 L1088 M1118 Q1121 | L1063-L1067 HydrophobicContact CD1-CD1 3.92Å; L1063-L1067 HydrophobicContact CD1-CG 4.17Å; L1063-L1067 HydrophobicContact CG-CD1 4.03Å; L1063-L1067 WeakPolarHBondContact O-CB 2.92Å; L1063-L1067 WeakPolarHBondContact O-CD1 3.28Å; L1063-L1067 VanDerWaalsContact O-CG 3.25Å; L1063-L1067 WeakPolarHBondContact O-CG 3.49Å; L1063-L1067 PolarHBondContact O-N 2.67Å; L1063-L1067 VanDerWaalsContact O-N 3.11Å; A1064-L1067 PolarHBondContact O-N 2.75Å; D1065-L1067 VanDerWaalsContact C-N 3.34Å; D1065-L1067 PolarHBondContact O-N 2.69Å; L1067-Q1069 VanDerWaalsContact C-N 3.27Å; L1067-Q1069 PolarHBondContact O-N 3.39Å; L1067-S1070 WeakPolarHBondContact CA-OG 3.36Å; L1067-S1070 PolarHBondContact O-N 3.28Å; L1067-S1070 PolarHBondContact O-OG 2.72Å; L1067-G1071 PolarHBondContact O-N 2.81Å; L1067-F1080 HydrophobicContact CB-CE2 3.61Å; L1067-F1080 HydrophobicContact CB-CZ 3.76Å; L1067-L1088 HydrophobicContact CD1-CD1 4.01Å; L1067-L1088 HydrophobicContact CD1-CD2 3.72Å; L1067-M1118 HydrophobicContact CD1-SD 4.44Å; L1067-Q1121 HydrophobicContact CD2-CB 4.32Å; L1067-Q1121 HydrophobicContact CD2-CG 4.02Å |
| 1068 | Q | 84.1 | Confident | 71.9 | Confident | 31 Ų | 31 | 72 Ų | 72 | 15% | 0.145 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.7 | -34.4 | 175.7 | -74.3 | -176.4 | 118.2 | 0 | 0 | 113 | A1064 D1065 V1078 F1080 | A1064-Q1068 WeakPolarHBondContact O-CB 3.23Å; A1064-Q1068 WeakPolarHBondContact O-CG 3.42Å; A1064-Q1068 PolarHBondContact O-N 3.22Å; D1065-Q1068 PolarHBondContact O-N 2.8Å; Q1068-V1078 WeakPolarHBondContact CA-O 3.12Å; Q1068-V1078 WeakPolarHBondContact CB-O 3.28Å; Q1068-V1078 WeakPolarHBondContact CG-O 3.49Å; Q1068-V1078 PolarHBondContact O-N 2.81Å; Q1068-F1080 HydrophobicContact CG-CB 4.2Å; Q1068-F1080 HydrophobicContact CG-CD1 4.04Å; Q1068-F1080 HydrophobicContact CG-CD2 3.49Å; Q1068-F1080 VanDerWaalsContact CG-CD2 3.49Å; Q1068-F1080 HydrophobicContact CG-CE1 4.3Å; Q1068-F1080 HydrophobicContact CG-CE2 3.78Å; Q1068-F1080 HydrophobicContact CG-CG 3.63Å; Q1068-F1080 HydrophobicContact CG-CZ 4.17Å |
| 1069 | Q | 75.2 | Confident | 72 | Confident | 125 Ų | 125 | 74.7 Ų | 74.7 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -80.1 | -25.3 | 177.1 | -72.2 | 178.5 | 5.3 | 0 | 0 | 113.9 | D1065 L1067 | D1065-Q1069 WeakPolarHBondContact O-CB 3.26Å; D1065-Q1069 VanDerWaalsContact O-CG 3.31Å; D1065-Q1069 WeakPolarHBondContact O-CG 3.13Å; D1065-Q1069 PolarHBondContact O-N 2.92Å; L1067-Q1069 VanDerWaalsContact C-N 3.27Å; L1067-Q1069 PolarHBondContact O-N 3.39Å |
| 1070 | S | 69.8 | Low | 72.7 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -86.5 | -16 | -179.6 | 67.3 | 0 | 0 | 0 | 0 | 114.5 | A1066 L1067 G1072 | A1066-S1070 WeakPolarHBondContact O-CB 3.49Å; A1066-S1070 PolarHBondContact O-N 2.98Å; A1066-S1070 VanDerWaalsContact O-N 3.16Å; A1066-S1070 PolarHBondContact O-OG 2.79Å; L1067-S1070 WeakPolarHBondContact CA-OG 3.36Å; L1067-S1070 PolarHBondContact O-N 3.28Å; L1067-S1070 PolarHBondContact O-OG 2.72Å; S1070-G1072 VanDerWaalsContact C-N 3.31Å; S1070-G1072 PolarHBondContact O-N 3.12Å; S1070-G1072 VanDerWaalsContact O-N 3.09Å |
| 1071 | G | 58.8 | Low | 73.3 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -77.9 | 19 | -165.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | L1067 V1078 | L1067-G1071 PolarHBondContact O-N 2.81Å; G1071-V1078 WeakPolarHBondContact O-CG2 3.07Å |
| 1072 | G | 51.8 | Low | 73.5 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | trans | -147.6 | 111.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1070 D1074 G1075 | S1070-G1072 VanDerWaalsContact C-N 3.31Å; S1070-G1072 PolarHBondContact O-N 3.12Å; S1070-G1072 VanDerWaalsContact O-N 3.09Å; G1072-D1074 PolarHBondContact O-N 2.7Å; G1072-G1075 PolarHBondContact O-N 2.77Å | ||
| 1073 | E | 54.5 | Low | 73.8 | Confident | 210 Ų | 210 | 71.8 Ų | 71.8 | 98% | 0.981 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.1 | 171 | -66.4 | -171.4 | 137.4 | 0 | 0 | 112.4 | ||
| 1074 | D | 57.4 | Low | 73.9 | Confident | 170 Ų | 170 | 74.2 Ų | 74.2 | 91% | 0.909 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 8.7 | 175.4 | -65.7 | -39.3 | 0 | 0 | 0 | 114.1 | G1072 G1076 | G1072-D1074 PolarHBondContact O-N 2.7Å; D1074-G1076 VanDerWaalsContact C-N 3.27Å; D1074-G1076 PolarHBondContact O-N 3.34Å |
| 1075 | G | 54.6 | Low | 73.9 | Confident | 74 Ų | 74 | 76 Ų | 76 | 76% | 0.763 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 72.3 | 11.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1072 | G1072-G1075 PolarHBondContact O-N 2.77Š|
| 1076 | G | 54.6 | Low | 74 | Confident | 46 Ų | 46 | 79.1 Ų | 79.1 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 124 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1074 V1078 | D1074-G1076 VanDerWaalsContact C-N 3.27Å; D1074-G1076 PolarHBondContact O-N 3.34Å; G1076-V1078 PolarHBondContact O-N 2.89Å |
| 1077 | S | 58.3 | Low | 74.3 | Confident | 93 Ų | 93 | 81.6 Ų | 81.6 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 122.5 | 172.6 | 60 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1078 | V | 70.2 | Confident | 74.6 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 38% | 0.376 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 125.3 | 170 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | Q1068 G1071 G1076 F1080 | Q1068-V1078 WeakPolarHBondContact CA-O 3.12Å; Q1068-V1078 WeakPolarHBondContact CB-O 3.28Å; Q1068-V1078 WeakPolarHBondContact CG-O 3.49Å; Q1068-V1078 PolarHBondContact O-N 2.81Å; G1071-V1078 WeakPolarHBondContact O-CG2 3.07Å; G1076-V1078 PolarHBondContact O-N 2.89Å; V1078-F1080 HydrophobicContact CB-CE1 4.47Å; V1078-F1080 HydrophobicContact CG1-CD1 3.96Å; V1078-F1080 HydrophobicContact CG1-CE1 3.86Å |
| 1079 | V | 80.1 | Confident | 74.8 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 121.7 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1080 | F | 86.7 | Confident | 75.5 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 18% | 0.175 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 143.6 | 179.1 | -69.4 | -16.7 | 0 | 0 | 0 | 111.7 | L1067 Q1068 V1078 L1084 V1085 L1088 | L1067-F1080 HydrophobicContact CB-CE2 3.61Å; L1067-F1080 HydrophobicContact CB-CZ 3.76Å; Q1068-F1080 HydrophobicContact CG-CB 4.2Å; Q1068-F1080 HydrophobicContact CG-CD1 4.04Å; Q1068-F1080 HydrophobicContact CG-CD2 3.49Å; Q1068-F1080 VanDerWaalsContact CG-CD2 3.49Å; Q1068-F1080 HydrophobicContact CG-CE1 4.3Å; Q1068-F1080 HydrophobicContact CG-CE2 3.78Å; Q1068-F1080 HydrophobicContact CG-CG 3.63Å; Q1068-F1080 HydrophobicContact CG-CZ 4.17Å; V1078-F1080 HydrophobicContact CB-CE1 4.47Å; V1078-F1080 HydrophobicContact CG1-CD1 3.96Å; V1078-F1080 HydrophobicContact CG1-CE1 3.86Å; F1080-L1084 HydrophobicContact CB-CB 4.31Å; F1080-L1084 HydrophobicContact CB-CD2 3.96Å; F1080-L1084 HydrophobicContact CB-CG 4.22Å; F1080-L1084 HydrophobicContact CD1-CD2 3.8Å; F1080-L1084 HydrophobicContact CD2-CD2 4.02Å; F1080-L1084 HydrophobicContact CD2-CG 4.18Å; F1080-L1084 HydrophobicContact CE1-CD2 4.28Å; F1080-L1084 HydrophobicContact CE2-CD2 4.47Å; F1080-L1084 HydrophobicContact CG-CD2 3.66Å; F1080-L1084 HydrophobicContact CG-CG 4.16Å; F1080-V1085 HydrophobicContact CB-CG2 3.83Å; F1080-L1088 HydrophobicContact CD2-CD1 3.58Å; F1080-L1088 HydrophobicContact CE2-CD1 3.49Å; F1080-L1088 VanDerWaalsContact CE2-CD1 3.49Å |
| 1081 | P | 87.9 | Confident | 76.6 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 53% | 0.532 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 146 | 169.1 | -23.7 | 34.2 | 0 | 0 | 0 | 111.1 | V1083 L1084 V1085 | P1081-V1083 PolarHBondContact O-N 3.08Å; P1081-V1083 VanDerWaalsContact O-N 3.07Å; P1081-L1084 WeakPolarHBondContact O-CA 3.42Å; P1081-L1084 WeakPolarHBondContact O-CB 3.49Å; P1081-L1084 PolarHBondContact O-N 3.27Å; P1081-V1085 PolarHBondContact O-N 3.38Å; P1081-V1085 VanDerWaalsContact O-N 3.13Å |
| 1082 | P | 85.3 | Confident | 78.1 | Confident | 100 Ų | 100 | 75 Ų | 75 | 65% | 0.649 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -54.4 | -33.4 | -177.4 | -29.3 | 35.7 | 0 | 0 | 0 | 114.7 | V1085 Q1086 | P1082-V1085 PolarHBondContact O-N 3.45Å; P1082-Q1086 WeakPolarHBondContact O-CG 3.31Å; P1082-Q1086 PolarHBondContact O-N 2.87Å |
| 1083 | V | 88.7 | Confident | 79.7 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 56% | 0.564 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | P1081 Q1086 M1087 | P1081-V1083 PolarHBondContact O-N 3.08Å; P1081-V1083 VanDerWaalsContact O-N 3.07Å; V1083-Q1086 PolarHBondContact O-N 3.03Å; V1083-M1087 HydrophobicContact CG1-SD 4.07Å; V1083-M1087 VanDerWaalsContact O-CG 3.23Å; V1083-M1087 WeakPolarHBondContact O-CG 3.22Å; V1083-M1087 PolarHBondContact O-N 2.65Å |
| 1084 | L | 90.2 | Very high | 81.4 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 27% | 0.272 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 178.2 | 179.3 | 59 | 0 | 0 | 0 | 111.3 | F1080 P1081 M1087 L1088 W1107 | F1080-L1084 HydrophobicContact CB-CB 4.31Å; F1080-L1084 HydrophobicContact CB-CD2 3.96Å; F1080-L1084 HydrophobicContact CB-CG 4.22Å; F1080-L1084 HydrophobicContact CD1-CD2 3.8Å; F1080-L1084 HydrophobicContact CD2-CD2 4.02Å; F1080-L1084 HydrophobicContact CD2-CG 4.18Å; F1080-L1084 HydrophobicContact CE1-CD2 4.28Å; F1080-L1084 HydrophobicContact CE2-CD2 4.47Å; F1080-L1084 HydrophobicContact CG-CD2 3.66Å; F1080-L1084 HydrophobicContact CG-CG 4.16Å; P1081-L1084 WeakPolarHBondContact O-CA 3.42Å; P1081-L1084 WeakPolarHBondContact O-CB 3.49Å; P1081-L1084 PolarHBondContact O-N 3.27Å; L1084-M1087 PolarHBondContact O-N 3.19Å; L1084-L1088 HydrophobicContact CD1-CD1 4.18Å; L1084-L1088 HydrophobicContact CD1-CG 4.27Å; L1084-L1088 HydrophobicContact CG-CD1 4.05Å; L1084-L1088 WeakPolarHBondContact O-CB 3.49Å; L1084-L1088 VanDerWaalsContact O-CG 3.29Å; L1084-L1088 WeakPolarHBondContact O-CG 3.32Å; L1084-L1088 PolarHBondContact O-N 3.13Å; L1084-W1107 HydrophobicContact CD1-CH2 4.22Å; L1084-W1107 HydrophobicContact CD1-CZ2 3.61Å |
| 1085 | V | 88 | Confident | 82.9 | Confident | 37 Ų | 37 | 61 Ų | 61 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.5 | -51 | 172.1 | 179 | 0 | 0 | 0 | 0 | 110.1 | A1064 F1080 P1081 P1082 M1087 L1088 D1089 | A1064-V1085 HydrophobicContact CB-CB 4.39Å; A1064-V1085 HydrophobicContact CB-CG1 3.94Å; A1064-V1085 HydrophobicContact CB-CG2 4.35Å; F1080-V1085 HydrophobicContact CB-CG2 3.83Å; P1081-V1085 PolarHBondContact O-N 3.38Å; P1081-V1085 VanDerWaalsContact O-N 3.13Å; P1082-V1085 PolarHBondContact O-N 3.45Å; V1085-M1087 VanDerWaalsContact C-N 3.32Å; V1085-M1087 PolarHBondContact O-N 3.1Å; V1085-L1088 PolarHBondContact O-N 3.3Å; V1085-L1088 VanDerWaalsContact O-N 3.09Å; V1085-D1089 WeakPolarHBondContact O-CB 3.25Å; V1085-D1089 PolarHBondContact O-N 3.28Å |
| 1086 | Q | 87.8 | Confident | 84.3 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.4 | -39 | 176.4 | -73.4 | 173.8 | -13.3 | 0 | 0 | 113.4 | P1082 V1083 R1090 | P1082-Q1086 WeakPolarHBondContact O-CG 3.31Å; P1082-Q1086 PolarHBondContact O-N 2.87Å; V1083-Q1086 PolarHBondContact O-N 3.03Å; Q1086-R1090 VanDerWaalsContact O-CB 3.25Å; Q1086-R1090 WeakPolarHBondContact O-CB 3.46Å; Q1086-R1090 PolarHBondContact O-N 3.06Å |
| 1087 | M | 91 | Very high | 85.5 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 176.1 | -69.7 | 174.7 | 82.7 | 0 | 0 | 112.3 | V1083 L1084 V1085 L1091 W1107 | V1083-M1087 HydrophobicContact CG1-SD 4.07Å; V1083-M1087 VanDerWaalsContact O-CG 3.23Å; V1083-M1087 WeakPolarHBondContact O-CG 3.22Å; V1083-M1087 PolarHBondContact O-N 2.65Å; L1084-M1087 PolarHBondContact O-N 3.19Å; V1085-M1087 VanDerWaalsContact C-N 3.32Å; V1085-M1087 PolarHBondContact O-N 3.1Å; M1087-L1091 VanDerWaalsContact O-CB 3.28Å; M1087-L1091 WeakPolarHBondContact O-CB 3.25Å; M1087-L1091 PolarHBondContact O-N 2.81Å; M1087-W1107 HydrophobicContact CB-CH2 3.75Å; M1087-W1107 HydrophobicContact CB-CZ2 4.01Å; M1087-W1107 HydrophobicContact CB-CZ3 4.05Å; M1087-W1107 HydrophobicContact CE-CB 4.49Å; M1087-W1107 HydrophobicContact CE-CD2 3.59Å; M1087-W1107 HydrophobicContact CE-CE3 4.27Å; M1087-W1107 HydrophobicContact CE-CG 3.64Å; M1087-W1107 HydrophobicContact CE-CZ2 4.2Å |
| 1088 | L | 92.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.1 | -40.8 | 175.4 | -71.2 | 168 | 0 | 0 | 0 | 112 | L1063 A1064 L1067 F1080 L1084 V1085 R1090 L1091 E1092 W1107 | L1063-L1088 HydrophobicContact CD2-CD2 4.02Å; L1063-L1088 HydrophobicContact CG-CD2 4.16Å; A1064-L1088 HydrophobicContact CB-CB 4.14Å; A1064-L1088 HydrophobicContact CB-CD1 4.13Å; L1067-L1088 HydrophobicContact CD1-CD1 4.01Å; L1067-L1088 HydrophobicContact CD1-CD2 3.72Å; F1080-L1088 HydrophobicContact CD2-CD1 3.58Å; F1080-L1088 HydrophobicContact CE2-CD1 3.49Å; F1080-L1088 VanDerWaalsContact CE2-CD1 3.49Å; L1084-L1088 HydrophobicContact CD1-CD1 4.18Å; L1084-L1088 HydrophobicContact CD1-CG 4.27Å; L1084-L1088 HydrophobicContact CG-CD1 4.05Å; L1084-L1088 WeakPolarHBondContact O-CB 3.49Å; L1084-L1088 VanDerWaalsContact O-CG 3.29Å; L1084-L1088 WeakPolarHBondContact O-CG 3.32Å; L1084-L1088 PolarHBondContact O-N 3.13Å; V1085-L1088 PolarHBondContact O-N 3.3Å; V1085-L1088 VanDerWaalsContact O-N 3.09Å; L1088-R1090 VanDerWaalsContact C-N 3.34Å; L1088-L1091 HydrophobicContact CD2-CD2 4.48Å; L1088-L1091 PolarHBondContact O-N 2.73Å; L1088-E1092 WeakPolarHBondContact O-CB 3.2Å; L1088-E1092 PolarHBondContact O-N 3.49Å; L1088-W1107 HydrophobicContact CD2-CH2 3.73Å; L1088-W1107 HydrophobicContact CD2-CZ3 4.47Å; L1088-W1107 HydrophobicContact CG-CH2 4.01Å |
| 1089 | D | 87 | Confident | 87.5 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 32% | 0.316 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 174.9 | -66.1 | -19.2 | 0 | 0 | 0 | 111.3 | V1085 S1093 | V1085-D1089 WeakPolarHBondContact O-CB 3.25Å; V1085-D1089 PolarHBondContact O-N 3.28Å; D1089-S1093 WeakPolarHBondContact O-CB 3.43Å; D1089-S1093 PolarHBondContact O-N 3.24Å; D1089-S1093 PolarHBondContact O-OG 2.87Å |
| 1090 | R | 90.9 | Very high | 87.9 | Confident | 96 Ų | 96 | 66.2 Ų | 66.2 | 36% | 0.362 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -53.5 | 171.5 | 174.4 | -179.5 | 168.3 | -174.7 | -4.9 | 110.8 | Q1086 L1088 E1092 S1093 E1094 S1101 E1103 | Q1086-R1090 VanDerWaalsContact O-CB 3.25Å; Q1086-R1090 WeakPolarHBondContact O-CB 3.46Å; Q1086-R1090 PolarHBondContact O-N 3.06Å; L1088-R1090 VanDerWaalsContact C-N 3.34Å; R1090-E1092 VanDerWaalsContact C-N 3.3Å; R1090-E1092 PolarHBondContact O-N 2.62Å; R1090-S1093 WeakPolarHBondContact O-CB 3.29Å; R1090-S1093 PolarHBondContact O-N 2.95Å; R1090-E1094 HydrophobicContact CG-CG 4.38Å; R1090-E1094 IonicContact CZ-OE1 3.43Å; R1090-E1094 IonicContact NE-OE1 2.68Å; R1090-E1094 PolarHBondContact NE-OE1 3.07Å; R1090-E1094 IonicContact NH2-OE1 3.35Å; R1090-E1094 PolarHBondContact NH2-OE1 2.78Å; R1090-E1094 WeakPolarHBondContact O-CG 3.4Å; R1090-E1094 PolarHBondContact O-N 2.8Å; R1090-S1101 PolarHBondContact NH2-OG 3.05Å; R1090-E1103 IonicContact CZ-OE1 3.9Å; R1090-E1103 IonicContact CZ-OE2 2.69Å; R1090-E1103 VanDerWaalsContact CZ-OE2 3.23Å; R1090-E1103 IonicContact NH1-OE1 2.83Å; R1090-E1103 PolarHBondContact NH1-OE1 3.43Å; R1090-E1103 IonicContact NH1-OE2 3.28Å; R1090-E1103 PolarHBondContact NH1-OE2 2.82Å; R1090-E1103 IonicContact NH2-OE2 3.23Å; R1090-E1103 PolarHBondContact NH2-OE2 2.98Å |
| 1091 | L | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 179.5 | 169.2 | 66.6 | 0 | 0 | 0 | 111.6 | L1063 M1087 L1088 S1093 E1094 I1095 V1100 W1107 L1108 M1118 | L1063-L1091 HydrophobicContact CD2-CD2 3.94Å; L1063-L1091 HydrophobicContact CD2-CG 4.29Å; M1087-L1091 VanDerWaalsContact O-CB 3.28Å; M1087-L1091 WeakPolarHBondContact O-CB 3.25Å; M1087-L1091 PolarHBondContact O-N 2.81Å; L1088-L1091 HydrophobicContact CD2-CD2 4.48Å; L1088-L1091 PolarHBondContact O-N 2.73Å; L1091-S1093 VanDerWaalsContact C-N 3.34Å; L1091-S1093 PolarHBondContact O-N 3.14Å; L1091-E1094 PolarHBondContact O-N 2.78Å; L1091-I1095 HydrophobicContact CD1-CD1 3.86Å; L1091-I1095 HydrophobicContact CD1-CG1 4.06Å; L1091-I1095 HydrophobicContact CD2-CD1 4.48Å; L1091-I1095 HydrophobicContact CG-CD1 3.85Å; L1091-I1095 HydrophobicContact CG-CG1 4.42Å; L1091-I1095 VanDerWaalsContact O-CG1 3.31Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.34Å; L1091-I1095 PolarHBondContact O-N 3.26Å; L1091-V1100 HydrophobicContact CD1-CG1 3.81Å; L1091-W1107 HydrophobicContact CB-CZ3 4.08Å; L1091-W1107 HydrophobicContact CD2-CZ3 3.83Å; L1091-L1108 HydrophobicContact CD1-CD1 3.8Å; L1091-L1108 HydrophobicContact CD2-CD1 3.84Å; L1091-L1108 HydrophobicContact CD2-CD2 3.81Å; L1091-L1108 HydrophobicContact CD2-CG 4.11Å; L1091-L1108 HydrophobicContact CG-CD1 4.5Å; L1091-M1118 HydrophobicContact CD2-CB 4.08Å; L1091-M1118 HydrophobicContact CD2-CG 3.88Å; L1091-M1118 HydrophobicContact CD2-SD 4.37Å |
| 1092 | E | 90.4 | Very high | 88.3 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177 | 179.4 | 167.2 | -122.1 | 0 | 0 | 111.5 | R1060 L1063 L1088 R1090 E1094 I1095 L1096 M1122 | R1060-E1092 IonicContact CZ-OE1 2.72Å; R1060-E1092 IonicContact CZ-OE2 3.2Å; R1060-E1092 IonicContact NH1-OE1 3.17Å; R1060-E1092 PolarHBondContact NH1-OE1 3.17Å; R1060-E1092 IonicContact NH1-OE2 3.69Å; R1060-E1092 IonicContact NH2-OE1 3.38Å; R1060-E1092 PolarHBondContact NH2-OE1 3.03Å; R1060-E1092 IonicContact NH2-OE2 2.76Å; R1060-E1092 PolarHBondContact NH2-OE2 2.82Å; L1063-E1092 HydrophobicContact CB-CB 3.89Å; L1063-E1092 HydrophobicContact CB-CG 4.16Å; L1063-E1092 WeakPolarHBondContact CB-OE1 3.36Å; L1063-E1092 HydrophobicContact CD2-CB 4.21Å; L1063-E1092 PolarHBondContact N-OE1 3.27Å; L1063-E1092 PolarHBondContact N-OE2 2.79Å; L1088-E1092 WeakPolarHBondContact O-CB 3.2Å; L1088-E1092 PolarHBondContact O-N 3.49Å; R1090-E1092 VanDerWaalsContact C-N 3.3Å; R1090-E1092 PolarHBondContact O-N 2.62Å; E1092-E1094 VanDerWaalsContact C-N 3.34Å; E1092-E1094 PolarHBondContact O-N 3.2Å; E1092-I1095 PolarHBondContact O-N 2.84Å; E1092-L1096 HydrophobicContact CG-CD1 4.37Å; E1092-L1096 WeakPolarHBondContact O-CB 3.29Å; E1092-L1096 WeakPolarHBondContact O-CG 3.43Å; E1092-L1096 PolarHBondContact O-N 3.41Å; E1092-M1122 HydrophobicContact CG-CE 3.98Å; E1092-M1122 HydrophobicContact CG-SD 4.28Å |
| 1093 | S | 84.8 | Confident | 88.6 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.2 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | D1089 R1090 L1091 A1097 | D1089-S1093 WeakPolarHBondContact O-CB 3.43Å; D1089-S1093 PolarHBondContact O-N 3.24Å; D1089-S1093 PolarHBondContact O-OG 2.87Å; R1090-S1093 WeakPolarHBondContact O-CB 3.29Å; R1090-S1093 PolarHBondContact O-N 2.95Å; L1091-S1093 VanDerWaalsContact C-N 3.34Å; L1091-S1093 PolarHBondContact O-N 3.14Å; S1093-A1097 WeakPolarHBondContact O-CB 3.32Å; S1093-A1097 PolarHBondContact O-N 3.35Å |
| 1094 | E | 90.8 | Very high | 88.7 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.5 | -35 | 176.9 | -69.1 | 179.9 | -175.3 | 0 | 0 | 112.8 | R1090 L1091 E1092 A1097 D1098 R1099 V1100 S1101 S1104 | R1090-E1094 HydrophobicContact CG-CG 4.38Å; R1090-E1094 IonicContact CZ-OE1 3.43Å; R1090-E1094 IonicContact NE-OE1 2.68Å; R1090-E1094 PolarHBondContact NE-OE1 3.07Å; R1090-E1094 IonicContact NH2-OE1 3.35Å; R1090-E1094 PolarHBondContact NH2-OE1 2.78Å; R1090-E1094 WeakPolarHBondContact O-CG 3.4Å; R1090-E1094 PolarHBondContact O-N 2.8Å; L1091-E1094 PolarHBondContact O-N 2.78Å; E1092-E1094 VanDerWaalsContact C-N 3.34Å; E1092-E1094 PolarHBondContact O-N 3.2Å; E1094-A1097 PolarHBondContact O-N 2.85Å; E1094-D1098 PolarHBondContact O-N 3.22Å; E1094-R1099 CarbonylContact O-C 3.48Å; E1094-R1099 PolarHBondContact O-N 3.19Å; E1094-V1100 HydrophobicContact CB-CG2 4.38Å; E1094-V1100 PolarHBondContact O-N 2.87Å; E1094-S1101 VanDerWaalsContact CD-OG 3.28Å; E1094-S1101 WeakPolarHBondContact OE1-CB 3.32Å; E1094-S1101 PolarHBondContact OE1-OG 2.7Å; E1094-S1101 WeakPolarHBondContact OE2-CB 3.18Å; E1094-S1101 PolarHBondContact OE2-N 2.94Å; E1094-S1101 PolarHBondContact OE2-OG 2.85Å; E1094-S1104 VanDerWaalsContact CD-OG 3.3Å; E1094-S1104 PolarHBondContact OE1-OG 3.32Å; E1094-S1104 WeakPolarHBondContact OE2-CB 3.09Å; E1094-S1104 PolarHBondContact OE2-OG 2.75Å |
| 1095 | I | 88.5 | Confident | 88.9 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 173.4 | -68.6 | 167.5 | 0 | 0 | 0 | 110 | L1091 E1092 A1097 D1098 V1100 V1115 M1118 Q1119 M1122 | L1091-I1095 HydrophobicContact CD1-CD1 3.86Å; L1091-I1095 HydrophobicContact CD1-CG1 4.06Å; L1091-I1095 HydrophobicContact CD2-CD1 4.48Å; L1091-I1095 HydrophobicContact CG-CD1 3.85Å; L1091-I1095 HydrophobicContact CG-CG1 4.42Å; L1091-I1095 VanDerWaalsContact O-CG1 3.31Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.34Å; L1091-I1095 PolarHBondContact O-N 3.26Å; E1092-I1095 PolarHBondContact O-N 2.84Å; I1095-A1097 PolarHBondContact O-N 2.85Å; I1095-D1098 PolarHBondContact O-N 2.91Å; I1095-V1100 HydrophobicContact CB-CG2 4.29Å; I1095-V1100 HydrophobicContact CG1-CG2 3.54Å; I1095-V1115 HydrophobicContact CD1-CG1 4.32Å; I1095-V1115 HydrophobicContact CG1-CG1 4.05Å; I1095-M1118 HydrophobicContact CD1-CB 4.01Å; I1095-Q1119 HydrophobicContact CG2-CB 4.12Å; I1095-Q1119 HydrophobicContact CG2-CG 3.9Å; I1095-M1122 HydrophobicContact CB-CE 4.34Å; I1095-M1122 HydrophobicContact CB-SD 3.95Å; I1095-M1122 HydrophobicContact CD1-SD 3.84Å; I1095-M1122 HydrophobicContact CG2-CE 3.94Å; I1095-M1122 HydrophobicContact CG2-SD 3.62Å |
| 1096 | L | 82.8 | Confident | 89.1 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 45% | 0.45 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -26.9 | 177.1 | -72 | 177.3 | 0 | 0 | 0 | 113.2 | E1092 M1122 V1125 | E1092-L1096 HydrophobicContact CG-CD1 4.37Å; E1092-L1096 WeakPolarHBondContact O-CB 3.29Å; E1092-L1096 WeakPolarHBondContact O-CG 3.43Å; E1092-L1096 PolarHBondContact O-N 3.41Å; L1096-M1122 HydrophobicContact CD2-CE 3.6Å; L1096-M1122 HydrophobicContact CG-CE 3.72Å; L1096-V1125 HydrophobicContact CD2-CG2 3.7Å |
| 1097 | A | 79.6 | Confident | 89.3 | Confident | 53 Ų | 53 | 70.4 Ų | 70.4 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1093 E1094 I1095 R1099 | S1093-A1097 WeakPolarHBondContact O-CB 3.32Å; S1093-A1097 PolarHBondContact O-N 3.35Å; E1094-A1097 PolarHBondContact O-N 2.85Å; I1095-A1097 PolarHBondContact O-N 2.85Å; A1097-R1099 VanDerWaalsContact C-N 3.26Å; A1097-R1099 HydrophobicContact CB-CB 4.34Å; A1097-R1099 WeakPolarHBondContact O-CG 3.5Å; A1097-R1099 PolarHBondContact O-N 3.14Å |
| 1098 | D | 84.3 | Confident | 89.4 | Confident | 150 Ų | 150 | 67.6 Ų | 67.6 | 80% | 0.802 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.9 | -168.7 | -163.2 | 27.6 | 0 | 0 | 0 | 113.5 | E1094 I1095 | E1094-D1098 PolarHBondContact O-N 3.22Å; I1095-D1098 PolarHBondContact O-N 2.91Å |
| 1099 | R | 87.9 | Confident | 89.3 | Confident | 202 Ų | 202 | 70.6 Ų | 70.6 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | trans | -139.6 | 44.8 | -171.8 | -69.1 | 175.7 | -154.2 | -159.7 | 2.8 | 112.7 | E1094 A1097 S1101 | E1094-R1099 CarbonylContact O-C 3.48Å; E1094-R1099 PolarHBondContact O-N 3.19Å; A1097-R1099 VanDerWaalsContact C-N 3.26Å; A1097-R1099 HydrophobicContact CB-CB 4.34Å; A1097-R1099 WeakPolarHBondContact O-CG 3.5Å; A1097-R1099 PolarHBondContact O-N 3.14Å; R1099-S1101 PolarHBondContact O-N 2.64Å; R1099-S1101 VanDerWaalsContact O-N 3.1Å | ||
| 1100 | V | 88.3 | Confident | 89.5 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | trans | -60.3 | 115.7 | 177.7 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | L1091 E1094 I1095 R1105 V1115 | L1091-V1100 HydrophobicContact CD1-CG1 3.81Å; E1094-V1100 HydrophobicContact CB-CG2 4.38Å; E1094-V1100 PolarHBondContact O-N 2.87Å; I1095-V1100 HydrophobicContact CB-CG2 4.29Å; I1095-V1100 HydrophobicContact CG1-CG2 3.54Å; V1100-R1105 HydrophobicContact CG1-CG 4.01Å; V1100-R1105 PolarHBondContact O-NE 2.94Å; V1100-R1105 PolarHBondContact O-NH2 3.26Å; V1100-V1115 HydrophobicContact CB-CG1 4.44Å; V1100-V1115 HydrophobicContact CB-CG2 4.34Å; V1100-V1115 HydrophobicContact CG1-CG2 3.88Å; V1100-V1115 HydrophobicContact CG2-CG1 3.78Å | ||
| 1101 | S | 90.9 | Very high | 89.4 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | trans | -67.2 | 155.6 | -173.7 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | R1090 E1094 R1099 E1103 S1104 R1105 | R1090-S1101 PolarHBondContact NH2-OG 3.05Å; E1094-S1101 VanDerWaalsContact CD-OG 3.28Å; E1094-S1101 WeakPolarHBondContact OE1-CB 3.32Å; E1094-S1101 PolarHBondContact OE1-OG 2.7Å; E1094-S1101 WeakPolarHBondContact OE2-CB 3.18Å; E1094-S1101 PolarHBondContact OE2-N 2.94Å; E1094-S1101 PolarHBondContact OE2-OG 2.85Å; R1099-S1101 PolarHBondContact O-N 2.64Å; R1099-S1101 VanDerWaalsContact O-N 3.1Å; S1101-E1103 PolarHBondContact O-N 3Å; S1101-S1104 PolarHBondContact O-N 3.49Å; S1101-S1104 WeakPolarHBondContact OG-CB 3.34Å; S1101-S1104 PolarHBondContact OG-N 2.58Å; S1101-S1104 PolarHBondContact OG-OG 2.9Å; S1101-S1104 VanDerWaalsContact OG-OG 3.09Å; S1101-R1105 WeakPolarHBondContact O-CG 3.23Å; S1101-R1105 PolarHBondContact O-N 2.78Å | ||
| 1102 | E | 91.4 | Very high | 89.2 | Confident | 127 Ų | 127 | 74.2 Ų | 74.2 | 59% | 0.593 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.8 | -32.3 | 175.8 | -110.5 | -144.9 | 176 | 0 | 0 | 112.1 | R1105 R1106 | E1102-R1105 PolarHBondContact O-N 3.27Å; E1102-R1106 WeakPolarHBondContact O-CB 3.31Å; E1102-R1106 WeakPolarHBondContact O-CG 3.41Å; E1102-R1106 PolarHBondContact O-N 3.29Å; E1102-R1106 IonicContact OE2-CZ 3.23Å; E1102-R1106 VanDerWaalsContact OE2-CZ 3.23Å; E1102-R1106 IonicContact OE2-NE 3.16Å; E1102-R1106 PolarHBondContact OE2-NE 3.02Å; E1102-R1106 VanDerWaalsContact OE2-NE 3.16Å; E1102-R1106 IonicContact OE2-NH2 2.65Å; E1102-R1106 PolarHBondContact OE2-NH2 2.86Å |
| 1103 | E | 91.6 | Very high | 89.3 | Confident | 116 Ų | 116 | 77 Ų | 77 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.8 | -52.8 | 174.6 | -170.5 | -170.5 | 160.4 | 0 | 0 | 111.1 | R1090 S1101 R1105 R1106 W1107 | R1090-E1103 IonicContact CZ-OE1 3.9Å; R1090-E1103 IonicContact CZ-OE2 2.69Å; R1090-E1103 VanDerWaalsContact CZ-OE2 3.23Å; R1090-E1103 IonicContact NH1-OE1 2.83Å; R1090-E1103 PolarHBondContact NH1-OE1 3.43Å; R1090-E1103 IonicContact NH1-OE2 3.28Å; R1090-E1103 PolarHBondContact NH1-OE2 2.82Å; R1090-E1103 IonicContact NH2-OE2 3.23Å; R1090-E1103 PolarHBondContact NH2-OE2 2.98Å; S1101-E1103 PolarHBondContact O-N 3Å; E1103-R1105 VanDerWaalsContact C-N 3.31Å; E1103-R1105 PolarHBondContact O-N 2.61Å; E1103-R1106 PolarHBondContact O-N 2.95Å; E1103-W1107 WeakPolarHBondContact O-CB 3.15Å; E1103-W1107 PolarHBondContact O-N 3Å |
| 1104 | S | 91.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 4% | 0.035 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 175 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | E1094 S1101 W1107 L1108 | E1094-S1104 VanDerWaalsContact CD-OG 3.3Å; E1094-S1104 PolarHBondContact OE1-OG 3.32Å; E1094-S1104 WeakPolarHBondContact OE2-CB 3.09Å; E1094-S1104 PolarHBondContact OE2-OG 2.75Å; S1101-S1104 PolarHBondContact O-N 3.49Å; S1101-S1104 WeakPolarHBondContact OG-CB 3.34Å; S1101-S1104 PolarHBondContact OG-N 2.58Å; S1101-S1104 PolarHBondContact OG-OG 2.9Å; S1101-S1104 VanDerWaalsContact OG-OG 3.09Å; S1104-W1107 PolarHBondContact O-N 3.21Å; S1104-L1108 WeakPolarHBondContact O-CB 3.5Å; S1104-L1108 WeakPolarHBondContact O-CG 3.49Å; S1104-L1108 PolarHBondContact O-N 3.35Å |
| 1105 | R | 93 | Very high | 89.7 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 50% | 0.498 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.7 | -68.8 | 175.4 | -165.5 | -108.4 | 0.2 | 112.2 | V1100 S1101 E1102 E1103 A1109 V1115 | V1100-R1105 HydrophobicContact CG1-CG 4.01Å; V1100-R1105 PolarHBondContact O-NE 2.94Å; V1100-R1105 PolarHBondContact O-NH2 3.26Å; S1101-R1105 WeakPolarHBondContact O-CG 3.23Å; S1101-R1105 PolarHBondContact O-N 2.78Å; E1102-R1105 PolarHBondContact O-N 3.27Å; E1103-R1105 VanDerWaalsContact C-N 3.31Å; E1103-R1105 PolarHBondContact O-N 2.61Å; R1105-A1109 VanDerWaalsContact O-CB 3.29Å; R1105-A1109 WeakPolarHBondContact O-CB 3.2Å; R1105-A1109 PolarHBondContact O-N 2.85Å; R1105-V1115 HydrophobicContact CG-CG2 4.1Å |
| 1106 | R | 92.4 | Very high | 89.7 | Confident | 169 Ų | 169 | 82.7 Ų | 82.7 | 64% | 0.638 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.5 | -39.2 | 176.6 | -72.7 | 171.1 | -171.7 | -157.8 | 4.4 | 111.6 | E1102 E1103 A1109 S1110 | E1102-R1106 WeakPolarHBondContact O-CB 3.31Å; E1102-R1106 WeakPolarHBondContact O-CG 3.41Å; E1102-R1106 PolarHBondContact O-N 3.29Å; E1102-R1106 IonicContact OE2-CZ 3.23Å; E1102-R1106 VanDerWaalsContact OE2-CZ 3.23Å; E1102-R1106 IonicContact OE2-NE 3.16Å; E1102-R1106 PolarHBondContact OE2-NE 3.02Å; E1102-R1106 VanDerWaalsContact OE2-NE 3.16Å; E1102-R1106 IonicContact OE2-NH2 2.65Å; E1102-R1106 PolarHBondContact OE2-NH2 2.86Å; E1103-R1106 PolarHBondContact O-N 2.95Å; R1106-A1109 PolarHBondContact O-N 3.29Å; R1106-S1110 PolarHBondContact O-N 3.36Å |
| 1107 | W | 92.9 | Very high | 90 | Very high | 47 Ų | 47 | 82.8 Ų | 82.8 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 174.8 | 169.6 | 54.1 | 0 | 0 | 0 | 112.1 | L1084 M1087 L1088 L1091 E1103 S1104 A1109 S1110 C1111 | L1084-W1107 HydrophobicContact CD1-CH2 4.22Å; L1084-W1107 HydrophobicContact CD1-CZ2 3.61Å; M1087-W1107 HydrophobicContact CB-CH2 3.75Å; M1087-W1107 HydrophobicContact CB-CZ2 4.01Å; M1087-W1107 HydrophobicContact CB-CZ3 4.05Å; M1087-W1107 HydrophobicContact CE-CB 4.49Å; M1087-W1107 HydrophobicContact CE-CD2 3.59Å; M1087-W1107 HydrophobicContact CE-CE3 4.27Å; M1087-W1107 HydrophobicContact CE-CG 3.64Å; M1087-W1107 HydrophobicContact CE-CZ2 4.2Å; L1088-W1107 HydrophobicContact CD2-CH2 3.73Å; L1088-W1107 HydrophobicContact CD2-CZ3 4.47Å; L1088-W1107 HydrophobicContact CG-CH2 4.01Å; L1091-W1107 HydrophobicContact CB-CZ3 4.08Å; L1091-W1107 HydrophobicContact CD2-CZ3 3.83Å; E1103-W1107 WeakPolarHBondContact O-CB 3.15Å; E1103-W1107 PolarHBondContact O-N 3Å; S1104-W1107 PolarHBondContact O-N 3.21Å; W1107-A1109 VanDerWaalsContact C-N 3.33Å; W1107-A1109 PolarHBondContact O-N 3.2Å; W1107-S1110 PolarHBondContact O-N 3.49Å; W1107-S1110 PolarHBondContact O-OG 2.83Å; W1107-C1111 PolarHBondContact O-N 2.83Å; W1107-C1111 VanDerWaalsContact O-N 3.17Å; W1107-C1111 PolarHBondContact O-SG 2.72Å; W1107-C1111 VanDerWaalsContact O-SG 3.42Å |
| 1108 | L | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.016 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 174.1 | -73.3 | 176.5 | 0 | 0 | 0 | 111.8 | L1091 S1104 S1110 C1111 G1112 L1113 V1115 M1118 | L1091-L1108 HydrophobicContact CD1-CD1 3.8Å; L1091-L1108 HydrophobicContact CD2-CD1 3.84Å; L1091-L1108 HydrophobicContact CD2-CD2 3.81Å; L1091-L1108 HydrophobicContact CD2-CG 4.11Å; L1091-L1108 HydrophobicContact CG-CD1 4.5Å; S1104-L1108 WeakPolarHBondContact O-CB 3.5Å; S1104-L1108 WeakPolarHBondContact O-CG 3.49Å; S1104-L1108 PolarHBondContact O-N 3.35Å; L1108-S1110 VanDerWaalsContact C-N 3.33Å; L1108-S1110 PolarHBondContact O-N 3.15Å; L1108-C1111 CarbonylContact O-C 3.54Å; L1108-C1111 WeakPolarHBondContact O-CA 3.46Å; L1108-C1111 WeakPolarHBondContact O-CB 3.09Å; L1108-C1111 PolarHBondContact O-N 3.46Å; L1108-C1111 VanDerWaalsContact O-N 3.09Å; L1108-G1112 PolarHBondContact O-N 2.79Å; L1108-G1112 VanDerWaalsContact O-N 3.13Å; L1108-L1113 CarbonylContact C-O 3.48Å; L1108-L1113 HydrophobicContact CB-CB 4.32Å; L1108-L1113 HydrophobicContact CD2-CB 3.96Å; L1108-L1113 HydrophobicContact CD2-CD1 4.28Å; L1108-L1113 PolarHBondContact O-N 2.9Å; L1108-L1113 VanDerWaalsContact O-O 3.14Å; L1108-V1115 HydrophobicContact CD1-CG2 3.97Å; L1108-M1118 HydrophobicContact CD1-CG 3.87Å; L1108-M1118 HydrophobicContact CD2-CG 3.53Å; L1108-M1118 HydrophobicContact CD2-SD 3.84Å; L1108-M1118 HydrophobicContact CG-CG 4.36Å |
| 1109 | A | 90.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 78.8 Ų | 78.8 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | R1105 R1106 W1107 C1111 G1112 | R1105-A1109 VanDerWaalsContact O-CB 3.29Å; R1105-A1109 WeakPolarHBondContact O-CB 3.2Å; R1105-A1109 PolarHBondContact O-N 2.85Å; R1106-A1109 PolarHBondContact O-N 3.29Å; W1107-A1109 VanDerWaalsContact C-N 3.33Å; W1107-A1109 PolarHBondContact O-N 3.2Å; A1109-C1111 VanDerWaalsContact C-N 3.28Å; A1109-C1111 PolarHBondContact O-N 3.43Å; A1109-G1112 PolarHBondContact O-N 2.89Å; A1109-G1112 VanDerWaalsContact O-N 3.13Å |
| 1110 | S | 90.9 | Very high | 90.8 | Very high | 98 Ų | 98 | 74.7 Ų | 74.7 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.9 | -25.5 | 175.5 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | R1106 W1107 L1108 G1112 | R1106-S1110 PolarHBondContact O-N 3.36Å; W1107-S1110 PolarHBondContact O-N 3.49Å; W1107-S1110 PolarHBondContact O-OG 2.83Å; L1108-S1110 VanDerWaalsContact C-N 3.33Å; L1108-S1110 PolarHBondContact O-N 3.15Å; S1110-G1112 VanDerWaalsContact C-N 3.35Å |
| 1111 | C | 89.3 | Confident | 90.7 | Very high | 71 Ų | 71 | 78.1 Ų | 78.1 | 48% | 0.48 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.3 | 170.8 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | W1107 L1108 A1109 L1113 | W1107-C1111 PolarHBondContact O-N 2.83Å; W1107-C1111 VanDerWaalsContact O-N 3.17Å; W1107-C1111 PolarHBondContact O-SG 2.72Å; W1107-C1111 VanDerWaalsContact O-SG 3.42Å; L1108-C1111 CarbonylContact O-C 3.54Å; L1108-C1111 WeakPolarHBondContact O-CA 3.46Å; L1108-C1111 WeakPolarHBondContact O-CB 3.09Å; L1108-C1111 PolarHBondContact O-N 3.46Å; L1108-C1111 VanDerWaalsContact O-N 3.09Å; A1109-C1111 VanDerWaalsContact C-N 3.28Å; A1109-C1111 PolarHBondContact O-N 3.43Å; C1111-L1113 VanDerWaalsContact C-N 3.33Å; C1111-L1113 HydrophobicContact CB-CD1 4.06Å; C1111-L1113 HydrophobicContact CB-CG 4.26Å |
| 1112 | G | 89.9 | Confident | 90.5 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 20.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1108 A1109 S1110 | L1108-G1112 PolarHBondContact O-N 2.79Å; L1108-G1112 VanDerWaalsContact O-N 3.13Å; A1109-G1112 PolarHBondContact O-N 2.89Å; A1109-G1112 VanDerWaalsContact O-N 3.13Å; S1110-G1112 VanDerWaalsContact C-N 3.35Å |
| 1113 | L | 92.1 | Very high | 90 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 34% | 0.34 | 39% | 0.392 | S | S | . | . | trans | -111.4 | 157.3 | -176.6 | -63.1 | 170.9 | 0 | 0 | 0 | 111.8 | L1108 C1111 M1118 | L1108-L1113 CarbonylContact C-O 3.48Å; L1108-L1113 HydrophobicContact CB-CB 4.32Å; L1108-L1113 HydrophobicContact CD2-CB 3.96Å; L1108-L1113 HydrophobicContact CD2-CD1 4.28Å; L1108-L1113 PolarHBondContact O-N 2.9Å; L1108-L1113 VanDerWaalsContact O-O 3.14Å; C1111-L1113 VanDerWaalsContact C-N 3.33Å; C1111-L1113 HydrophobicContact CB-CD1 4.06Å; C1111-L1113 HydrophobicContact CB-CG 4.26Å; L1113-M1118 HydrophobicContact CB-CE 4.35Å; L1113-M1118 HydrophobicContact CD1-CE 3.8Å; L1113-M1118 HydrophobicContact CD1-SD 4.13Å; L1113-M1118 HydrophobicContact CD2-CE 3.95Å; L1113-M1118 HydrophobicContact CG-CE 4.25Å | ||
| 1114 | T | 91.8 | Very high | 89.2 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | trans | -115.7 | 157.8 | 174 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | E1116 Q1117 M1118 | T1114-E1116 PolarHBondContact O-N 3.37Å; T1114-Q1117 WeakPolarHBondContact O-CB 3.31Å; T1114-Q1117 PolarHBondContact O-N 2.92Å; T1114-Q1117 WeakPolarHBondContact OG1-CG 3.05Å; T1114-Q1117 PolarHBondContact OG1-N 2.76Å; T1114-Q1117 VanDerWaalsContact OG1-N 3.12Å; T1114-Q1117 PolarHBondContact OG1-OE1 2.8Å; T1114-M1118 WeakPolarHBondContact O-CG 3.34Å; T1114-M1118 PolarHBondContact O-N 2.85Å; T1114-M1118 VanDerWaalsContact O-N 3.12Å | ||
| 1115 | V | 90.8 | Very high | 88.4 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57 | -41.8 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | I1095 V1100 R1105 L1108 Q1117 M1118 Q1119 | I1095-V1115 HydrophobicContact CD1-CG1 4.32Å; I1095-V1115 HydrophobicContact CG1-CG1 4.05Å; V1100-V1115 HydrophobicContact CB-CG1 4.44Å; V1100-V1115 HydrophobicContact CB-CG2 4.34Å; V1100-V1115 HydrophobicContact CG1-CG2 3.88Å; V1100-V1115 HydrophobicContact CG2-CG1 3.78Å; R1105-V1115 HydrophobicContact CG-CG2 4.1Å; L1108-V1115 HydrophobicContact CD1-CG2 3.97Å; V1115-Q1117 PolarHBondContact O-N 2.97Å; V1115-M1118 PolarHBondContact O-N 2.91Å; V1115-Q1119 WeakPolarHBondContact O-CB 3.45Å; V1115-Q1119 PolarHBondContact O-N 3.37Å |
| 1116 | E | 89.7 | Confident | 87.8 | Confident | 137 Ų | 137 | 76.4 Ų | 76.4 | 64% | 0.64 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 177.6 | -173.1 | 179.7 | -177.2 | 0 | 0 | 112.1 | T1114 M1118 Q1119 N1120 | T1114-E1116 PolarHBondContact O-N 3.37Å; E1116-M1118 VanDerWaalsContact C-N 3.34Å; E1116-M1118 PolarHBondContact O-N 3.49Å; E1116-Q1119 PolarHBondContact O-N 2.78Å; E1116-N1120 WeakPolarHBondContact O-CB 3.22Å; E1116-N1120 PolarHBondContact O-N 2.93Å; E1116-N1120 PolarHBondContact O-ND2 3.28Å |
| 1117 | Q | 89.8 | Confident | 87.3 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 41% | 0.407 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 173.3 | -77.4 | 169 | -37.6 | 0 | 0 | 112 | T1114 V1115 N1120 Q1121 | T1114-Q1117 WeakPolarHBondContact O-CB 3.31Å; T1114-Q1117 PolarHBondContact O-N 2.92Å; T1114-Q1117 WeakPolarHBondContact OG1-CG 3.05Å; T1114-Q1117 PolarHBondContact OG1-N 2.76Å; T1114-Q1117 VanDerWaalsContact OG1-N 3.12Å; T1114-Q1117 PolarHBondContact OG1-OE1 2.8Å; V1115-Q1117 PolarHBondContact O-N 2.97Å; Q1117-N1120 PolarHBondContact O-N 3.29Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.21Å; Q1117-Q1121 PolarHBondContact O-N 2.78Å |
| 1118 | M | 90.8 | Very high | 86.9 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 4% | 0.044 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 178.6 | -61.6 | -68.4 | 94.7 | 0 | 0 | 112.1 | L1063 L1067 L1091 I1095 L1108 L1113 T1114 V1115 E1116 N1120 Q1121 M1122 | L1063-M1118 HydrophobicContact CD2-CB 4.4Å; L1067-M1118 HydrophobicContact CD1-SD 4.44Å; L1091-M1118 HydrophobicContact CD2-CB 4.08Å; L1091-M1118 HydrophobicContact CD2-CG 3.88Å; L1091-M1118 HydrophobicContact CD2-SD 4.37Å; I1095-M1118 HydrophobicContact CD1-CB 4.01Å; L1108-M1118 HydrophobicContact CD1-CG 3.87Å; L1108-M1118 HydrophobicContact CD2-CG 3.53Å; L1108-M1118 HydrophobicContact CD2-SD 3.84Å; L1108-M1118 HydrophobicContact CG-CG 4.36Å; L1113-M1118 HydrophobicContact CB-CE 4.35Å; L1113-M1118 HydrophobicContact CD1-CE 3.8Å; L1113-M1118 HydrophobicContact CD1-SD 4.13Å; L1113-M1118 HydrophobicContact CD2-CE 3.95Å; L1113-M1118 HydrophobicContact CG-CE 4.25Å; T1114-M1118 WeakPolarHBondContact O-CG 3.34Å; T1114-M1118 PolarHBondContact O-N 2.85Å; T1114-M1118 VanDerWaalsContact O-N 3.12Å; V1115-M1118 PolarHBondContact O-N 2.91Å; E1116-M1118 VanDerWaalsContact C-N 3.34Å; E1116-M1118 PolarHBondContact O-N 3.49Å; M1118-N1120 PolarHBondContact O-N 3Å; M1118-Q1121 PolarHBondContact O-N 2.76Å; M1118-M1122 PolarHBondContact O-N 3.32Å |
| 1119 | Q | 88 | Confident | 86.7 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 173.7 | -171.6 | 172.7 | 10.2 | 0 | 0 | 111.7 | I1095 V1115 E1116 Q1121 M1122 | I1095-Q1119 HydrophobicContact CG2-CB 4.12Å; I1095-Q1119 HydrophobicContact CG2-CG 3.9Å; V1115-Q1119 WeakPolarHBondContact O-CB 3.45Å; V1115-Q1119 PolarHBondContact O-N 3.37Å; E1116-Q1119 PolarHBondContact O-N 2.78Å; Q1119-Q1121 VanDerWaalsContact C-N 3.26Å; Q1119-Q1121 PolarHBondContact O-N 2.88Å; Q1119-M1122 PolarHBondContact O-N 3.21Å |
| 1120 | N | 88 | Confident | 86.7 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.9 | 173.6 | -72.9 | -36.7 | 0 | 0 | 0 | 114.4 | E1116 Q1117 M1118 | E1116-N1120 WeakPolarHBondContact O-CB 3.22Å; E1116-N1120 PolarHBondContact O-N 2.93Å; E1116-N1120 PolarHBondContact O-ND2 3.28Å; Q1117-N1120 PolarHBondContact O-N 3.29Å; M1118-N1120 PolarHBondContact O-N 3Å |
| 1121 | Q | 86.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 40% | 0.397 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -10.5 | 170.6 | -61 | -54.6 | -56.2 | 0 | 0 | 113.1 | L1063 L1067 Q1117 M1118 Q1119 | L1063-Q1121 HydrophobicContact CD1-CB 3.85Å; L1067-Q1121 HydrophobicContact CD2-CB 4.32Å; L1067-Q1121 HydrophobicContact CD2-CG 4.02Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.21Å; Q1117-Q1121 PolarHBondContact O-N 2.78Å; M1118-Q1121 PolarHBondContact O-N 2.76Å; Q1119-Q1121 VanDerWaalsContact C-N 3.26Å; Q1119-Q1121 PolarHBondContact O-N 2.88Å |
| 1122 | M | 86.4 | Confident | 87.1 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 13% | 0.128 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -77 | 129.9 | 179.3 | -69.2 | 167.3 | 52 | 0 | 0 | 110.8 | L1063 E1092 I1095 L1096 M1118 Q1119 | L1063-M1122 HydrophobicContact CB-CG 4.43Å; L1063-M1122 HydrophobicContact CD1-CG 4.05Å; E1092-M1122 HydrophobicContact CG-CE 3.98Å; E1092-M1122 HydrophobicContact CG-SD 4.28Å; I1095-M1122 HydrophobicContact CB-CE 4.34Å; I1095-M1122 HydrophobicContact CB-SD 3.95Å; I1095-M1122 HydrophobicContact CD1-SD 3.84Å; I1095-M1122 HydrophobicContact CG2-CE 3.94Å; I1095-M1122 HydrophobicContact CG2-SD 3.62Å; L1096-M1122 HydrophobicContact CD2-CE 3.6Å; L1096-M1122 HydrophobicContact CG-CE 3.72Å; M1118-M1122 PolarHBondContact O-N 3.32Å; Q1119-M1122 PolarHBondContact O-N 3.21Å |
| 1123 | D | 81.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 129.3 | 167.4 | -78.3 | -20.7 | 0 | 0 | 0 | 108.9 | R1060 R1061 | R1060-D1123 HydrophobicContact CB-CB 3.98Å; R1061-D1123 WeakPolarHBondContact CB-OD2 3.22Å; R1061-D1123 IonicContact CZ-OD1 3.7Å; R1061-D1123 IonicContact CZ-OD2 3.55Å; R1061-D1123 PolarHBondContact N-OD2 3.08Å; R1061-D1123 IonicContact NE-OD1 3.79Å; R1061-D1123 IonicContact NE-OD2 2.86Å; R1061-D1123 PolarHBondContact NE-OD2 3.34Å; R1061-D1123 IonicContact NH2-OD1 2.76Å; R1061-D1123 PolarHBondContact NH2-OD1 2.76Å; R1061-D1123 IonicContact NH2-OD2 3.36Å; R1061-D1123 PolarHBondContact NH2-OD2 3.43Å |
| 1124 | P | 75.6 | Confident | 87.6 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 76% | 0.76 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 145.8 | -172.3 | 26.2 | -35.1 | 0 | 0 | 0 | 112.6 | Y1126 | P1124-Y1126 PolarHBondContact O-N 2.81Š|
| 1125 | V | 74.1 | Confident | 87.8 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 58% | 0.582 | 33% | 0.332 | S | S | * | . | trans | -70 | 101.7 | -178.2 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | L1096 T1127 | L1096-V1125 HydrophobicContact CD2-CG2 3.7Å; V1125-T1127 PolarHBondContact O-N 2.78Å | ||
| 1126 | Y | 80.1 | Confident | 88 | Confident | 93 Ų | 93 | 62 Ų | 62 | 37% | 0.365 | 32% | 0.323 | S | S | . | . | trans | -69.7 | 121.9 | 173.2 | -176 | -107.7 | 0 | 0 | 0 | 110.9 | E1054 K1057 T1058 P1124 P1128 | E1054-Y1126 PolarHBondContact OE2-OH 2.86Å; K1057-Y1126 HydrophobicContact CB-CD1 3.58Å; K1057-Y1126 HydrophobicContact CB-CE1 3.51Å; K1057-Y1126 HydrophobicContact CB-CG 4.37Å; K1057-Y1126 HydrophobicContact CD-CE1 3.71Å; K1057-Y1126 HydrophobicContact CG-CE1 4.3Å; T1058-Y1126 HydrophobicContact CG2-CD1 4.22Å; P1124-Y1126 PolarHBondContact O-N 2.81Å; Y1126-P1128 HydrophobicContact CE1-CB 4.24Å | ||
| 1127 | T | 81.3 | Confident | 88.2 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | trans | -88.9 | 115.8 | 168.5 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | V1125 | V1125-T1127 PolarHBondContact O-N 2.78Š| ||
| 1128 | P | 85.7 | Confident | 88.2 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | trans | -67.7 | 147.8 | -176.8 | 26.9 | -32.3 | 0 | 0 | 0 | 111.5 | T1050 E1054 L1055 T1058 Y1126 R1130 | T1050-P1128 HydrophobicContact CG2-CB 3.88Å; T1050-P1128 HydrophobicContact CG2-CG 4.23Å; E1054-P1128 HydrophobicContact CB-CB 4.08Å; L1055-P1128 HydrophobicContact CD2-CG 4.35Å; T1058-P1128 HydrophobicContact CG2-CB 4.1Å; T1058-P1128 HydrophobicContact CG2-CG 3.81Å; Y1126-P1128 HydrophobicContact CE1-CB 4.24Å; P1128-R1130 PolarHBondContact O-N 3Å | ||
| 1129 | A | 88.8 | Confident | 88.1 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | trans | -68.6 | 128.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1054 | E1054-A1129 HydrophobicContact CG-CB 4.4Š| ||
| 1130 | R | 90.7 | Very high | 88.1 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 26% | 0.26 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.2 | -176 | -58.3 | -177.9 | 176.6 | 112.3 | -6.5 | 110.8 | S777 V1048 E1049 T1050 P1128 | S777-R1130 PolarHBondContact O-NH2 3.22Å; V1048-R1130 HydrophobicContact CG1-CB 4.14Å; V1048-R1130 HydrophobicContact CG1-CG 4.28Å; E1049-R1130 WeakPolarHBondContact O-CA 3.25Å; T1050-R1130 HydrophobicContact CG2-CG 4.3Å; P1128-R1130 PolarHBondContact O-N 3Å |
| 1131 | K | 92.7 | Very high | 88.2 | Confident | 100 Ų | 100 | 45 Ų | 45 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 140 | 160.5 | -58.6 | 178.1 | -174.2 | 168.5 | 0 | 108.5 | E1049 | E1049-K1131 HydrophobicContact CB-CB 4.35Å; E1049-K1131 PolarHBondContact N-O 3.34Å; E1049-K1131 PolarHBondContact O-N 3.13Å; E1049-K1131 IonicContact OE1-NZ 3.7Å |
| 1132 | I | 94.9 | Very high | 88.6 | Confident | 34 Ų | 34 | 41 Ų | 41 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.1 | 179.7 | -58.3 | 175.6 | 0 | 0 | 0 | 108.2 | L796 L801 F817 I1046 R1047 V1048 | L796-I1132 HydrophobicContact CD2-CD1 4.26Å; L801-I1132 HydrophobicContact CD1-CG2 4.31Å; F817-I1132 HydrophobicContact CE2-CG2 4.26Å; F817-I1132 HydrophobicContact CZ-CG2 4.14Å; I1046-I1132 HydrophobicContact CG2-CG2 3.86Å; R1047-I1132 WeakPolarHBondContact O-CA 3.35Å; V1048-I1132 HydrophobicContact CG1-CG1 4.39Å |
| 1133 | H | 96.5 | Very high | 89 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148 | 177.7 | -50.9 | 94.1 | 0 | 0 | 0 | 110.7 | I1046 R1047 L1146 I1147 E1154 | I1046-H1133 WeakPolarHBondContact CA-O 3.26Å; R1047-H1133 HydrophobicContact CB-CB 4.14Å; R1047-H1133 PolarHBondContact N-O 3.04Å; R1047-H1133 PolarHBondContact O-N 3Å; H1133-L1146 HydrophobicContact CB-CB 4.06Å; H1133-L1146 HydrophobicContact CB-CD2 4.22Å; H1133-I1147 CarbonylContact C-O 3.49Å; H1133-I1147 WeakPolarHBondContact CA-O 3.17Å; H1133-E1154 IonicContact CD2-OE2 2.67Å; H1133-E1154 IonicContact CE1-OE2 2.87Å; H1133-E1154 IonicContact NE2-OE1 3.88Å; H1133-E1154 IonicContact NE2-OE2 3.8Å; H1133-E1154 PolarHBondContact NE2-OE2 2.86Å |
| 1134 | L | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 135.4 | 161.2 | -174.1 | 88.3 | 0 | 0 | 0 | 109.1 | V802 F817 Y820 L1045 I1046 H1136 L1146 I1147 | V802-L1134 HydrophobicContact CG2-CD1 4.29Å; F817-L1134 HydrophobicContact CB-CB 4.47Å; F817-L1134 HydrophobicContact CB-CD1 4.09Å; F817-L1134 HydrophobicContact CB-CD2 4.36Å; F817-L1134 HydrophobicContact CD1-CB 3.59Å; F817-L1134 HydrophobicContact CD2-CB 4.35Å; F817-L1134 HydrophobicContact CD2-CD1 4.32Å; F817-L1134 HydrophobicContact CE1-CB 3.79Å; F817-L1134 HydrophobicContact CG-CB 3.9Å; F817-L1134 HydrophobicContact CG-CD1 4.14Å; F817-L1134 HydrophobicContact CG-CG 4.45Å; F817-L1134 HydrophobicContact CZ-CB 4.28Å; Y820-L1134 HydrophobicContact CD1-CD2 3.39Å; Y820-L1134 HydrophobicContact CD2-CD2 3.92Å; Y820-L1134 HydrophobicContact CE1-CD2 3.24Å; Y820-L1134 HydrophobicContact CE2-CD2 3.78Å; Y820-L1134 HydrophobicContact CG-CD2 3.73Å; Y820-L1134 VanDerWaalsContact CZ-CD2 3.44Å; L1045-L1134 HydrophobicContact CD1-CD1 3.97Å; L1045-L1134 HydrophobicContact CG-CD1 4.45Å; I1046-L1134 HydrophobicContact CD1-CD1 3.89Å; L1134-H1136 PolarHBondContact O-N 3.11Å; L1134-L1146 WeakPolarHBondContact O-CA 3.23Å; L1134-I1147 PolarHBondContact N-O 3.28Å; L1134-I1147 PolarHBondContact O-N 2.99Å |
| 1135 | Y | 96 | Very high | 90.5 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 110.9 | 161.2 | -79.3 | -97 | 0 | 0 | 0 | 108.9 | T1035 P1044 L1045 R1047 P1143 L1146 Q1176 I1178 | T1035-Y1135 HydrophobicContact CG2-CE2 4.14Å; P1044-Y1135 HydrophobicContact CB-CD1 3.82Å; P1044-Y1135 HydrophobicContact CB-CD2 3.86Å; P1044-Y1135 HydrophobicContact CB-CE1 4.02Å; P1044-Y1135 HydrophobicContact CB-CE2 4.07Å; P1044-Y1135 HydrophobicContact CB-CG 3.75Å; P1044-Y1135 HydrophobicContact CG-CD1 3.63Å; P1044-Y1135 HydrophobicContact CG-CE1 4.03Å; P1044-Y1135 HydrophobicContact CG-CG 3.91Å; P1044-Y1135 WeakPolarHBondContact O-CB 3.4Å; L1045-Y1135 PolarHBondContact O-N 2.76Å; R1047-Y1135 HydrophobicContact CB-CD2 4.08Å; R1047-Y1135 HydrophobicContact CB-CE2 3.47Å; R1047-Y1135 VanDerWaalsContact CB-CE2 3.47Å; R1047-Y1135 HydrophobicContact CG-CE2 4.17Å; Y1135-P1143 HydrophobicContact CD1-CB 3.83Å; Y1135-P1143 HydrophobicContact CD1-CG 3.66Å; Y1135-P1143 HydrophobicContact CE1-CB 4.22Å; Y1135-P1143 HydrophobicContact CE1-CG 3.91Å; Y1135-L1146 HydrophobicContact CD1-CD2 3.97Å; Y1135-L1146 HydrophobicContact CD2-CD2 4.29Å; Y1135-L1146 HydrophobicContact CE1-CD2 4.06Å; Y1135-L1146 HydrophobicContact CE2-CD2 4.35Å; Y1135-L1146 HydrophobicContact CG-CD2 4.09Å; Y1135-Q1176 PolarHBondContact OH-OE1 3.3Å; Y1135-I1178 HydrophobicContact CE1-CD1 4.04Å |
| 1136 | H | 94.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.9 | 163.5 | 175 | 54.6 | 0 | 0 | 0 | 108.4 | Y820 Y842 L1134 L1144 A1145 I1147 | Y820-H1136 HydrophobicContact CE2-CB 4.25Å; Y820-H1136 PolarHBondContact OH-ND1 2.87Å; Y842-H1136 VanDerWaalsContact CB-NE2 3.33Å; Y842-H1136 WeakPolarHBondContact CB-NE2 3.33Å; Y842-H1136 AromaticContact CG-CD2 3.8Å; Y842-H1136 AromaticContact CG-NE2 3.85Å; L1134-H1136 PolarHBondContact O-N 3.11Å; H1136-L1144 WeakPolarHBondContact O-CB 3.27Å; H1136-L1144 PolarHBondContact O-N 2.59Å; H1136-A1145 HydrophobicContact CB-CB 4.28Å; H1136-A1145 PolarHBondContact N-O 2.82Å; H1136-A1145 PolarHBondContact O-N 2.94Å; H1136-A1145 VanDerWaalsContact O-N 3.1Å; H1136-I1147 HydrophobicContact CB-CG1 4.21Å |
| 1137 | C | 93.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 10% | 0.095 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 165 | -178.2 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | G1141 L1142 | C1137-G1141 PolarHBondContact SG-O 3.2Å; C1137-L1142 CarbonylContact C-O 3.57Å; C1137-L1142 WeakPolarHBondContact CA-O 3.43Å; C1137-L1142 WeakPolarHBondContact CB-O 3.17Å |
| 1138 | D | 90.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | trans | -72.7 | -178.9 | 163.1 | 77.3 | 1.7 | 0 | 0 | 0 | 111.7 | R1140 G1141 L1142 L1144 | D1138-R1140 PolarHBondContact O-N 3.02Å; D1138-R1140 VanDerWaalsContact O-N 3.17Å; D1138-R1140 WeakPolarHBondContact OD1-CA 3.31Å; D1138-R1140 VanDerWaalsContact OD1-CB 3.3Å; D1138-R1140 WeakPolarHBondContact OD1-CB 3.32Å; D1138-R1140 PolarHBondContact OD1-N 3.02Å; D1138-R1140 IonicContact OD1-NE 3.22Å; D1138-R1140 IonicContact OD2-CZ 3.19Å; D1138-R1140 VanDerWaalsContact OD2-CZ 3.28Å; D1138-R1140 IonicContact OD2-NE 2.76Å; D1138-R1140 PolarHBondContact OD2-NE 3.05Å; D1138-R1140 IonicContact OD2-NH2 3.38Å; D1138-R1140 PolarHBondContact OD2-NH2 3.26Å; D1138-G1141 PolarHBondContact O-N 2.76Å; D1138-G1141 PolarHBondContact OD1-N 2.79Å; D1138-G1141 VanDerWaalsContact OD1-N 3.11Å; D1138-L1142 PolarHBondContact N-O 3.29Å; D1138-L1142 WeakPolarHBondContact OD1-CB 3.46Å; D1138-L1142 PolarHBondContact OD1-N 3.2Å; D1138-L1144 HydrophobicContact CB-CD1 3.85Å; D1138-L1144 HydrophobicContact CB-CD2 4.46Å; D1138-L1144 HydrophobicContact CB-CG 4.28Å | ||
| 1139 | H | 89.1 | Confident | 93.1 | Very high | 51 Ų | 51 | 22 Ų | 22 | 24% | 0.236 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.8 | -180 | 64 | -69.7 | 0 | 0 | 0 | 114.3 | L832 Y846 I1228 | L832-H1139 HydrophobicContact CD2-CB 3.46Å; L832-H1139 VanDerWaalsContact CD2-CB 3.46Å; Y846-H1139 HydrophobicContact CE1-CB 3.89Å; Y846-H1139 AromaticContact CE1-CG 3.6Å; Y846-H1139 AromaticContact CE1-ND1 3.47Å; Y846-H1139 WeakPolarHBondContact CE1-ND1 3.48Å; Y846-H1139 AromaticContact CZ-ND1 3.99Å; H1139-I1228 PolarHBondContact NE2-O 2.8Å |
| 1140 | R | 88.3 | Confident | 93.2 | Very high | 22 Ų | 22 | 24.9 Ų | 24.9 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -10.4 | 175 | -53.4 | 173.6 | -70.6 | 176.4 | -1.7 | 112.2 | D1138 L1142 E1161 P1181 P1227 I1231 | D1138-R1140 PolarHBondContact O-N 3.02Å; D1138-R1140 VanDerWaalsContact O-N 3.17Å; D1138-R1140 WeakPolarHBondContact OD1-CA 3.31Å; D1138-R1140 VanDerWaalsContact OD1-CB 3.3Å; D1138-R1140 WeakPolarHBondContact OD1-CB 3.32Å; D1138-R1140 PolarHBondContact OD1-N 3.02Å; D1138-R1140 IonicContact OD1-NE 3.22Å; D1138-R1140 IonicContact OD2-CZ 3.19Å; D1138-R1140 VanDerWaalsContact OD2-CZ 3.28Å; D1138-R1140 IonicContact OD2-NE 2.76Å; D1138-R1140 PolarHBondContact OD2-NE 3.05Å; D1138-R1140 IonicContact OD2-NH2 3.38Å; D1138-R1140 PolarHBondContact OD2-NH2 3.26Å; R1140-L1142 VanDerWaalsContact NH2-CD2 3.33Å; R1140-E1161 PolarHBondContact NH1-O 2.79Å; R1140-P1181 WeakPolarHBondContact O-CD 3.32Å; R1140-P1181 WeakPolarHBondContact O-CG 3.32Å; R1140-P1227 WeakPolarHBondContact CD-O 3.46Å; R1140-P1227 PolarHBondContact NH1-O 3Å; R1140-I1231 HydrophobicContact CB-CG2 4.23Å |
| 1141 | G | 90.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 92.4 | 6.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | C1137 D1138 P1143 | C1137-G1141 PolarHBondContact SG-O 3.2Å; D1138-G1141 PolarHBondContact O-N 2.76Å; D1138-G1141 PolarHBondContact OD1-N 2.79Å; D1138-G1141 VanDerWaalsContact OD1-N 3.11Å; G1141-P1143 WeakPolarHBondContact O-CD 3.19Å |
| 1142 | L | 93.8 | Very high | 93 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | trans | -71.7 | 122.9 | 175.2 | 172.8 | 64.8 | 0 | 0 | 0 | 110.7 | C1137 D1138 R1140 L1144 Y1159 R1179 L1180 | C1137-L1142 CarbonylContact C-O 3.57Å; C1137-L1142 WeakPolarHBondContact CA-O 3.43Å; C1137-L1142 WeakPolarHBondContact CB-O 3.17Å; D1138-L1142 PolarHBondContact N-O 3.29Å; D1138-L1142 WeakPolarHBondContact OD1-CB 3.46Å; D1138-L1142 PolarHBondContact OD1-N 3.2Å; R1140-L1142 VanDerWaalsContact NH2-CD2 3.33Å; L1142-L1144 PolarHBondContact O-N 2.85Å; L1142-Y1159 HydrophobicContact CD1-CD2 4.28Å; L1142-Y1159 HydrophobicContact CD1-CE2 4.29Å; L1142-Y1159 HydrophobicContact CD1-CG 4.4Å; L1142-Y1159 HydrophobicContact CD2-CD2 3.85Å; L1142-Y1159 HydrophobicContact CD2-CG 3.81Å; L1142-Y1159 HydrophobicContact CG-CD2 4.09Å; L1142-Y1159 HydrophobicContact CG-CE2 4.39Å; L1142-Y1159 HydrophobicContact CG-CG 4.41Å; L1142-R1179 WeakPolarHBondContact CD1-O 3.08Å; L1142-L1180 HydrophobicContact CB-CD2 4.3Å; L1142-L1180 HydrophobicContact CD2-CD2 4.46Å | ||
| 1143 | P | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 127 | 178.3 | -29.4 | 39.1 | 0 | 0 | 0 | 113.9 | P1044 Y1135 G1141 W1155 Y1159 I1178 R1179 | P1044-P1143 HydrophobicContact CG-CG 3.83Å; Y1135-P1143 HydrophobicContact CD1-CB 3.83Å; Y1135-P1143 HydrophobicContact CD1-CG 3.66Å; Y1135-P1143 HydrophobicContact CE1-CB 4.22Å; Y1135-P1143 HydrophobicContact CE1-CG 3.91Å; G1141-P1143 WeakPolarHBondContact O-CD 3.19Å; P1143-W1155 HydrophobicContact CB-CZ3 4.41Å; P1143-Y1159 WeakPolarHBondContact O-CE2 3.41Å; P1143-I1178 HydrophobicContact CG-CB 4.16Å; P1143-I1178 HydrophobicContact CG-CG2 3.96Å; P1143-R1179 WeakPolarHBondContact CD-O 3.18Å |
| 1144 | L | 94.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -32.9 | 178 | -59.9 | 168 | 0 | 0 | 0 | 112.6 | H1136 D1138 L1142 C1156 A1157 Y1159 | H1136-L1144 WeakPolarHBondContact O-CB 3.27Å; H1136-L1144 PolarHBondContact O-N 2.59Å; D1138-L1144 HydrophobicContact CB-CD1 3.85Å; D1138-L1144 HydrophobicContact CB-CD2 4.46Å; D1138-L1144 HydrophobicContact CB-CG 4.28Å; L1142-L1144 PolarHBondContact O-N 2.85Å; L1144-C1156 CarbonylContact O-C 3.57Å; L1144-C1156 WeakPolarHBondContact O-CA 3.25Å; L1144-C1156 WeakPolarHBondContact O-CB 3.29Å; L1144-A1157 PolarHBondContact O-N 2.93Å; L1144-Y1159 HydrophobicContact CD2-CD2 4.46Å |
| 1145 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y842 H1136 I1147 T1153 W1155 C1156 | Y842-A1145 HydrophobicContact CE1-CB 4.07Å; Y842-A1145 HydrophobicContact CE2-CB 4.1Å; H1136-A1145 HydrophobicContact CB-CB 4.28Å; H1136-A1145 PolarHBondContact N-O 2.82Å; H1136-A1145 PolarHBondContact O-N 2.94Å; H1136-A1145 VanDerWaalsContact O-N 3.1Å; A1145-I1147 HydrophobicContact CB-CD1 3.83Å; A1145-T1153 HydrophobicContact CB-CG2 4.4Å; A1145-W1155 CarbonylContact C-O 3.54Å; A1145-W1155 WeakPolarHBondContact CA-O 3.43Å; A1145-C1156 HydrophobicContact CB-CB 3.79Å |
| 1146 | L | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.7 | 165.7 | -66.5 | 175.4 | 0 | 0 | 0 | 108.7 | R1047 H1133 L1134 Y1135 E1154 W1155 L1174 | R1047-L1146 HydrophobicContact CB-CD2 4.43Å; H1133-L1146 HydrophobicContact CB-CB 4.06Å; H1133-L1146 HydrophobicContact CB-CD2 4.22Å; L1134-L1146 WeakPolarHBondContact O-CA 3.23Å; Y1135-L1146 HydrophobicContact CD1-CD2 3.97Å; Y1135-L1146 HydrophobicContact CD2-CD2 4.29Å; Y1135-L1146 HydrophobicContact CE1-CD2 4.06Å; Y1135-L1146 HydrophobicContact CE2-CD2 4.35Å; Y1135-L1146 HydrophobicContact CG-CD2 4.09Å; L1146-E1154 PolarHBondContact O-N 3.08Å; L1146-W1155 HydrophobicContact CB-CB 4.11Å; L1146-W1155 HydrophobicContact CD1-CB 4.1Å; L1146-W1155 HydrophobicContact CD1-CG 4.41Å; L1146-W1155 HydrophobicContact CG-CB 4.28Å; L1146-W1155 HydrophobicContact CG-CE3 4.04Å; L1146-W1155 PolarHBondContact N-O 2.96Å; L1146-L1174 HydrophobicContact CD1-CD1 4.1Å |
| 1147 | I | 94.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.1 | -175.6 | -48.2 | -59.7 | 0 | 0 | 0 | 110 | Y820 Y842 H1133 L1134 H1136 A1145 A1152 T1153 | Y820-I1147 HydrophobicContact CD2-CB 4.22Å; Y820-I1147 HydrophobicContact CD2-CG1 3.96Å; Y820-I1147 HydrophobicContact CD2-CG2 4Å; Y820-I1147 HydrophobicContact CE2-CG1 4.08Å; Y842-I1147 HydrophobicContact CE2-CD1 4.22Å; H1133-I1147 CarbonylContact C-O 3.49Å; H1133-I1147 WeakPolarHBondContact CA-O 3.17Å; L1134-I1147 PolarHBondContact N-O 3.28Å; L1134-I1147 PolarHBondContact O-N 2.99Å; H1136-I1147 HydrophobicContact CB-CG1 4.21Å; A1145-I1147 HydrophobicContact CB-CD1 3.83Å; I1147-A1152 CarbonylContact C-O 3.48Å; I1147-A1152 WeakPolarHBondContact CA-O 3.03Å; I1147-T1153 WeakPolarHBondContact CD1-OG1 3.13Å |
| 1148 | S | 93.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 166.5 | 174.1 | 93.2 | 0 | 0 | 0 | 0 | 111.7 | E1150 G1151 A1152 | S1148-E1150 WeakPolarHBondContact CB-OE2 3.26Å; S1148-E1150 PolarHBondContact O-N 3Å; S1148-E1150 PolarHBondContact OG-N 3.42Å; S1148-E1150 PolarHBondContact OG-OE2 2.78Å; S1148-G1151 PolarHBondContact O-N 3.34Å; S1148-A1152 PolarHBondContact N-O 3.46Å; S1148-A1152 PolarHBondContact OG-N 3.05Å |
| 1149 | K | 90.8 | Very high | 92.8 | Very high | 69 Ų | 69 | 25.7 Ų | 25.7 | 30% | 0.3 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27 | 176.6 | -69.3 | -173.9 | 174.7 | -167.7 | 0 | 113 | L801 F817 G818 R819 G1151 | L801-K1149 VanDerWaalsContact CD2-NZ 3.32Å; F817-K1149 HydrophobicContact CE1-CB 4.47Å; F817-K1149 HydrophobicContact CE1-CG 4Å; F817-K1149 HydrophobicContact CE2-CG 4.31Å; F817-K1149 HydrophobicContact CZ-CG 3.63Å; G818-K1149 WeakPolarHBondContact CA-O 3.42Å; R819-K1149 PolarHBondContact N-O 3.06Å; K1149-G1151 PolarHBondContact O-N 2.96Å |
| 1150 | E | 91.3 | Very high | 92.9 | Very high | 125 Ų | 125 | 24.2 Ų | 24.2 | 58% | 0.584 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -1.9 | 177.8 | -56.4 | 66.8 | -144 | 0 | 0 | 112.6 | R819 S1148 | R819-E1150 WeakPolarHBondContact CD-O 3.47Å; S1148-E1150 WeakPolarHBondContact CB-OE2 3.26Å; S1148-E1150 PolarHBondContact O-N 3Å; S1148-E1150 PolarHBondContact OG-N 3.42Å; S1148-E1150 PolarHBondContact OG-OE2 2.78Å |
| 1151 | G | 88.6 | Confident | 93 | Very high | 35 Ų | 35 | 23.2 Ų | 23.2 | 36% | 0.361 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 84.6 | 12.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1148 K1149 | S1148-G1151 PolarHBondContact O-N 3.34Å; K1149-G1151 PolarHBondContact O-N 2.96Å |
| 1152 | A | 91.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 23.4 Ų | 23.4 | 41% | 0.405 | 13% | 0.132 | S | C | . | . | trans | -86.7 | 132.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1147 S1148 E1154 | I1147-A1152 CarbonylContact C-O 3.48Å; I1147-A1152 WeakPolarHBondContact CA-O 3.03Å; S1148-A1152 PolarHBondContact N-O 3.46Å; S1148-A1152 PolarHBondContact OG-N 3.05Å; A1152-E1154 PolarHBondContact O-N 2.64Å | ||
| 1153 | T | 93.1 | Very high | 93 | Very high | 45 Ų | 45 | 23.3 Ų | 23.3 | 28% | 0.276 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 117 | 165.4 | -63 | 0 | 0 | 0 | 0 | 109.5 | Y842 A1145 I1147 W1155 C1156 | Y842-T1153 WeakPolarHBondContact CE2-OG1 3.25Å; Y842-T1153 WeakPolarHBondContact OH-CG2 3.33Å; Y842-T1153 PolarHBondContact OH-OG1 3.1Å; A1145-T1153 HydrophobicContact CB-CG2 4.4Å; I1147-T1153 WeakPolarHBondContact CD1-OG1 3.13Å; T1153-W1155 WeakPolarHBondContact CG2-O 3.29Å; T1153-C1156 HydrophobicContact CG2-CB 3.89Å |
| 1154 | E | 94.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 19% | 0.187 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -15.7 | 172.9 | -67.2 | -169.7 | -175.4 | 0 | 0 | 113.3 | H1133 L1146 A1152 H1172 L1174 | H1133-E1154 IonicContact CD2-OE2 2.67Å; H1133-E1154 IonicContact CE1-OE2 2.87Å; H1133-E1154 IonicContact NE2-OE1 3.88Å; H1133-E1154 IonicContact NE2-OE2 3.8Å; H1133-E1154 PolarHBondContact NE2-OE2 2.86Å; L1146-E1154 PolarHBondContact O-N 3.08Å; A1152-E1154 PolarHBondContact O-N 2.64Å; E1154-H1172 PolarHBondContact O-CD2 3.19Å; E1154-L1174 HydrophobicContact CB-CD1 3.72Å |
| 1155 | W | 96.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 138.6 | 175.8 | 175 | 91.1 | 0 | 0 | 0 | 108.7 | P1143 A1145 L1146 T1153 A1157 Y1159 E1168 E1169 N1170 L1174 Q1176 | P1143-W1155 HydrophobicContact CB-CZ3 4.41Å; A1145-W1155 CarbonylContact C-O 3.54Å; A1145-W1155 WeakPolarHBondContact CA-O 3.43Å; L1146-W1155 HydrophobicContact CB-CB 4.11Å; L1146-W1155 HydrophobicContact CD1-CB 4.1Å; L1146-W1155 HydrophobicContact CD1-CG 4.41Å; L1146-W1155 HydrophobicContact CG-CB 4.28Å; L1146-W1155 HydrophobicContact CG-CE3 4.04Å; L1146-W1155 PolarHBondContact N-O 2.96Å; T1153-W1155 WeakPolarHBondContact CG2-O 3.29Å; W1155-A1157 HydrophobicContact CH2-CB 3.43Å; W1155-A1157 VanDerWaalsContact CH2-CB 3.43Å; W1155-A1157 HydrophobicContact CZ2-CB 3.48Å; W1155-A1157 VanDerWaalsContact CZ2-CB 3.48Å; W1155-A1157 HydrophobicContact CZ3-CB 4.29Å; W1155-Y1159 HydrophobicContact CH2-CE2 4.4Å; W1155-E1168 PolarHBondContact NE1-OE1 2.91Å; W1155-E1169 WeakPolarHBondContact CA-O 3.19Å; W1155-N1170 VanDerWaalsContact CD1-CG 3.45Å; W1155-L1174 HydrophobicContact CB-CB 4.46Å; W1155-L1174 HydrophobicContact CB-CD1 4.13Å; W1155-Q1176 HydrophobicContact CD2-CB 4.11Å; W1155-Q1176 HydrophobicContact CD2-CG 4.38Å; W1155-Q1176 HydrophobicContact CE3-CG 4.34Å; W1155-Q1176 HydrophobicContact CH2-CB 4.16Å; W1155-Q1176 HydrophobicContact CH2-CG 3.6Å; W1155-Q1176 HydrophobicContact CZ2-CB 3.64Å; W1155-Q1176 HydrophobicContact CZ2-CG 3.6Å; W1155-Q1176 HydrophobicContact CZ3-CG 3.97Å |
| 1156 | C | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 159.2 | 162.4 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | Y842 L1144 A1145 T1153 E1169 | Y842-C1156 HydrophobicContact CE1-CB 4.2Å; Y842-C1156 VanDerWaalsContact OH-CB 3.31Å; Y842-C1156 WeakPolarHBondContact OH-CB 3.32Å; Y842-C1156 PolarHBondContact OH-SG 3.03Å; L1144-C1156 CarbonylContact O-C 3.57Å; L1144-C1156 WeakPolarHBondContact O-CA 3.25Å; L1144-C1156 WeakPolarHBondContact O-CB 3.29Å; A1145-C1156 HydrophobicContact CB-CB 3.79Å; T1153-C1156 HydrophobicContact CG2-CB 3.89Å; C1156-E1169 PolarHBondContact N-O 2.7Å; C1156-E1169 PolarHBondContact O-N 3.17Å |
| 1157 | A | 93.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1144 W1155 Y1159 L1165 N1167 | L1144-A1157 PolarHBondContact O-N 2.93Å; W1155-A1157 HydrophobicContact CH2-CB 3.43Å; W1155-A1157 VanDerWaalsContact CH2-CB 3.43Å; W1155-A1157 HydrophobicContact CZ2-CB 3.48Å; W1155-A1157 VanDerWaalsContact CZ2-CB 3.48Å; W1155-A1157 HydrophobicContact CZ3-CB 4.29Å; A1157-Y1159 HydrophobicContact CB-CD2 4.33Å; A1157-Y1159 HydrophobicContact CB-CE2 3.56Å; A1157-L1165 HydrophobicContact CB-CD1 3.57Å; A1157-N1167 CarbonylContact C-O 3.56Å; A1157-N1167 VanDerWaalsContact CA-O 3.27Å; A1157-N1167 WeakPolarHBondContact CA-O 3.29Å |
| 1158 | E | 91.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.5 | 169.4 | -60.9 | -169.7 | -174.9 | 0 | 0 | 109.7 | Q862 L1166 N1167 | Q862-E1158 VanDerWaalsContact NE2-CD 3.26Å; Q862-E1158 PolarHBondContact NE2-OE2 2.83Å; E1158-L1166 PolarHBondContact O-N 2.86Å; E1158-N1167 HydrophobicContact CB-CB 4.39Å; E1158-N1167 PolarHBondContact N-O 3.05Å; E1158-N1167 PolarHBondContact O-N 3.17Å |
| 1159 | Y | 92.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 162.8 | -175.8 | -64.5 | -89.5 | 0 | 0 | 0 | 111.4 | R864 L1142 P1143 L1144 W1155 A1157 G1163 N1164 L1165 L1166 | R864-Y1159 PolarHBondContact NH1-O 3.2Å; R864-Y1159 PolarHBondContact NH2-O 2.68Å; R864-Y1159 VanDerWaalsContact NH2-O 3.07Å; L1142-Y1159 HydrophobicContact CD1-CD2 4.28Å; L1142-Y1159 HydrophobicContact CD1-CE2 4.29Å; L1142-Y1159 HydrophobicContact CD1-CG 4.4Å; L1142-Y1159 HydrophobicContact CD2-CD2 3.85Å; L1142-Y1159 HydrophobicContact CD2-CG 3.81Å; L1142-Y1159 HydrophobicContact CG-CD2 4.09Å; L1142-Y1159 HydrophobicContact CG-CE2 4.39Å; L1142-Y1159 HydrophobicContact CG-CG 4.41Å; P1143-Y1159 WeakPolarHBondContact O-CE2 3.41Å; L1144-Y1159 HydrophobicContact CD2-CD2 4.46Å; W1155-Y1159 HydrophobicContact CH2-CE2 4.4Å; A1157-Y1159 HydrophobicContact CB-CD2 4.33Å; A1157-Y1159 HydrophobicContact CB-CE2 3.56Å; Y1159-G1163 VanDerWaalsContact CD1-O 3.3Å; Y1159-G1163 WeakPolarHBondContact CD1-O 3.24Å; Y1159-N1164 CarbonylContact C-O 3.58Å; Y1159-N1164 WeakPolarHBondContact CA-O 3.44Å; Y1159-L1165 HydrophobicContact CD1-CB 4.26Å; Y1159-L1165 HydrophobicContact CD1-CD1 4.23Å; Y1159-L1165 HydrophobicContact CE1-CB 4.03Å; Y1159-L1165 HydrophobicContact CE1-CD1 3.73Å; Y1159-L1165 HydrophobicContact CE2-CD1 4.44Å; Y1159-L1166 WeakPolarHBondContact O-CD1 3.14Å |
| 1160 | D | 91.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | trans | -84.6 | 178.6 | 163.7 | 82.4 | -1.4 | 0 | 0 | 0 | 112.5 | W1162 G1163 N1164 L1166 | D1160-W1162 PolarHBondContact O-N 3.25Å; D1160-W1162 VanDerWaalsContact OD1-C 3.31Å; D1160-W1162 WeakPolarHBondContact OD1-CA 3.3Å; D1160-W1162 PolarHBondContact OD1-N 2.91Å; D1160-G1163 PolarHBondContact O-N 2.99Å; D1160-G1163 PolarHBondContact OD1-N 2.62Å; D1160-N1164 PolarHBondContact N-O 2.87Å; D1160-N1164 PolarHBondContact OD1-N 2.84Å; D1160-N1164 PolarHBondContact OD1-ND2 2.83Å; D1160-N1164 WeakPolarHBondContact OD2-CB 3.49Å; D1160-N1164 PolarHBondContact OD2-ND2 2.8Å; D1160-L1166 HydrophobicContact CB-CD1 4.09Å; D1160-L1166 HydrophobicContact CB-CD2 4.3Å; D1160-L1166 HydrophobicContact CB-CG 4.31Å | ||
| 1161 | E | 91.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.6 | 179.1 | -71.5 | 50.8 | -127.6 | 0 | 0 | 112.3 | R864 Y866 L874 V877 R1140 P1227 I1228 | R864-E1161 WeakPolarHBondContact CD-OE1 3.32Å; R864-E1161 IonicContact CZ-OE1 3Å; R864-E1161 VanDerWaalsContact NH1-CD 3.29Å; R864-E1161 IonicContact NH1-OE1 2.72Å; R864-E1161 PolarHBondContact NH1-OE1 2.87Å; R864-E1161 IonicContact NH1-OE2 3.67Å; R864-E1161 PolarHBondContact NH1-OE2 3.06Å; R864-E1161 VanDerWaalsContact NH1-OE2 3.09Å; Y866-E1161 HydrophobicContact CD1-CG 4.37Å; Y866-E1161 HydrophobicContact CE1-CG 3.64Å; Y866-E1161 WeakPolarHBondContact CE1-OE1 3.47Å; Y866-E1161 PolarHBondContact OH-OE1 2.79Å; L874-E1161 HydrophobicContact CD2-CB 4.16Å; L874-E1161 HydrophobicContact CD2-CG 4.04Å; V877-E1161 VanDerWaalsContact CG2-CD 3.5Å; V877-E1161 HydrophobicContact CG2-CG 3.52Å; R1140-E1161 PolarHBondContact NH1-O 2.79Å; E1161-P1227 HydrophobicContact CB-CG 4.42Å; E1161-P1227 WeakPolarHBondContact O-CB 3.36Å; E1161-I1228 HydrophobicContact CB-CD1 3.99Å; E1161-I1228 HydrophobicContact CB-CG1 4.17Å; E1161-I1228 HydrophobicContact CG-CD1 3.76Å; E1161-I1228 HydrophobicContact CG-CG1 3.86Å |
| 1162 | W | 91.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0.9 | -173.3 | -58.1 | 97.7 | 0 | 0 | 0 | 113.1 | Y890 R898 D1160 Y1199 Y1223 Q1224 P1227 | Y890-W1162 AromaticContact CD1-NE1 3.9Å; Y890-W1162 AromaticContact CD2-NE1 3.96Å; Y890-W1162 AromaticContact CE1-CD1 3.96Å; Y890-W1162 AromaticContact CE1-NE1 3.41Å; Y890-W1162 AromaticContact CE2-NE1 3.46Å; Y890-W1162 AromaticContact CZ-CD1 3.66Å; Y890-W1162 AromaticContact CZ-NE1 3.19Å; R898-W1162 VanDerWaalsContact NH2-CD1 3.29Å; R898-W1162 VanDerWaalsContact NH2-CE2 3.26Å; D1160-W1162 PolarHBondContact O-N 3.25Å; D1160-W1162 VanDerWaalsContact OD1-C 3.31Å; D1160-W1162 WeakPolarHBondContact OD1-CA 3.3Å; D1160-W1162 PolarHBondContact OD1-N 2.91Å; W1162-Y1199 VanDerWaalsContact O-CE1 3.29Å; W1162-Y1199 WeakPolarHBondContact O-CE1 3.28Å; W1162-Y1199 PolarHBondContact O-OH 3.45Å; W1162-Y1223 HydrophobicContact CZ3-CD1 4.45Å; W1162-Q1224 WeakPolarHBondContact CZ3-O 3.2Å; W1162-P1227 HydrophobicContact CD2-CB 4.37Å; W1162-P1227 HydrophobicContact CD2-CG 3.72Å; W1162-P1227 HydrophobicContact CE3-CB 3.97Å; W1162-P1227 HydrophobicContact CE3-CG 3.68Å; W1162-P1227 HydrophobicContact CG-CG 4.44Å; W1162-P1227 HydrophobicContact CH2-CG 4.02Å; W1162-P1227 HydrophobicContact CZ2-CG 4.07Å; W1162-P1227 HydrophobicContact CZ3-CB 4.22Å; W1162-P1227 HydrophobicContact CZ3-CG 3.83Å |
| 1163 | G | 91 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 94.6 | 4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1159 D1160 Y1192 | Y1159-G1163 VanDerWaalsContact CD1-O 3.3Å; Y1159-G1163 WeakPolarHBondContact CD1-O 3.24Å; D1160-G1163 PolarHBondContact O-N 2.99Å; D1160-G1163 PolarHBondContact OD1-N 2.62Å; G1163-Y1192 WeakPolarHBondContact O-CE2 3.19Å; G1163-Y1192 PolarHBondContact O-OH 2.96Å |
| 1164 | N | 91.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | trans | -65.1 | 137.1 | 174.1 | -62.8 | -69.8 | 0 | 0 | 0 | 110.6 | Y1159 D1160 L1166 P1201 L1202 | Y1159-N1164 CarbonylContact C-O 3.58Å; Y1159-N1164 WeakPolarHBondContact CA-O 3.44Å; D1160-N1164 PolarHBondContact N-O 2.87Å; D1160-N1164 PolarHBondContact OD1-N 2.84Å; D1160-N1164 PolarHBondContact OD1-ND2 2.83Å; D1160-N1164 WeakPolarHBondContact OD2-CB 3.49Å; D1160-N1164 PolarHBondContact OD2-ND2 2.8Å; N1164-L1166 PolarHBondContact O-N 3.48Å; N1164-P1201 PolarHBondContact ND2-O 2.87Å; N1164-P1201 VanDerWaalsContact OD1-CB 3.28Å; N1164-P1201 WeakPolarHBondContact OD1-CB 3.46Å; N1164-P1201 VanDerWaalsContact OD1-CG 3.3Å; N1164-P1201 WeakPolarHBondContact OD1-CG 3.35Å; N1164-L1202 PolarHBondContact OD1-N 3.25Å | ||
| 1165 | L | 92.9 | Very high | 92.1 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 119.6 | 176.1 | -179 | 66.9 | 0 | 0 | 0 | 110 | A1157 Y1159 N1167 E1168 | A1157-L1165 HydrophobicContact CB-CD1 3.57Å; Y1159-L1165 HydrophobicContact CD1-CB 4.26Å; Y1159-L1165 HydrophobicContact CD1-CD1 4.23Å; Y1159-L1165 HydrophobicContact CE1-CB 4.03Å; Y1159-L1165 HydrophobicContact CE1-CD1 3.73Å; Y1159-L1165 HydrophobicContact CE2-CD1 4.44Å; L1165-N1167 WeakPolarHBondContact CD1-O 3.43Å; L1165-E1168 HydrophobicContact CD1-CB 4.41Å; L1165-E1168 HydrophobicContact CD2-CB 4.36Å |
| 1166 | L | 90.8 | Very high | 91.9 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -37.7 | 179.9 | -60.7 | 175.7 | 0 | 0 | 0 | 112.3 | R864 E1158 Y1159 D1160 N1164 | R864-L1166 VanDerWaalsContact NH2-CD1 3.26Å; E1158-L1166 PolarHBondContact O-N 2.86Å; Y1159-L1166 WeakPolarHBondContact O-CD1 3.14Å; D1160-L1166 HydrophobicContact CB-CD1 4.09Å; D1160-L1166 HydrophobicContact CB-CD2 4.3Å; D1160-L1166 HydrophobicContact CB-CG 4.31Å; N1164-L1166 PolarHBondContact O-N 3.48Å |
| 1167 | N | 91.2 | Very high | 91.8 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.8 | 178.8 | -175.3 | 39.4 | 0 | 0 | 0 | 110.8 | A1157 E1158 L1165 | A1157-N1167 CarbonylContact C-O 3.56Å; A1157-N1167 VanDerWaalsContact CA-O 3.27Å; A1157-N1167 WeakPolarHBondContact CA-O 3.29Å; E1158-N1167 HydrophobicContact CB-CB 4.39Å; E1158-N1167 PolarHBondContact N-O 3.05Å; E1158-N1167 PolarHBondContact O-N 3.17Å; L1165-N1167 WeakPolarHBondContact CD1-O 3.43Å |
| 1168 | E | 94.2 | Very high | 91.9 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.6 | 178.2 | -170.1 | -173.6 | 178.1 | 0 | 0 | 110.9 | W1155 L1165 N1170 | W1155-E1168 PolarHBondContact NE1-OE1 2.91Å; L1165-E1168 HydrophobicContact CD1-CB 4.41Å; L1165-E1168 HydrophobicContact CD2-CB 4.36Å; E1168-N1170 HydrophobicContact CG-CB 4.03Å; E1168-N1170 WeakPolarHBondContact OE1-CB 3.37Å; E1168-N1170 PolarHBondContact OE1-ND2 2.84Å |
| 1169 | E | 94.7 | Very high | 92 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 40% | 0.397 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 103.6 | 168.2 | -65.3 | 177.7 | -141.7 | 0 | 0 | 108.3 | R861 W1155 C1156 | R861-E1169 IonicContact NH1-OE1 2.82Å; R861-E1169 PolarHBondContact NH1-OE1 2.85Å; R861-E1169 IonicContact NH2-OE1 3.14Å; W1155-E1169 WeakPolarHBondContact CA-O 3.19Å; C1156-E1169 PolarHBondContact N-O 2.7Å; C1156-E1169 PolarHBondContact O-N 3.17Å |
| 1170 | N | 94.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | trans | -129.7 | 65.5 | -173.6 | -168 | -8.1 | 0 | 0 | 0 | 112.8 | W1155 E1168 H1172 Q1173 L1174 | W1155-N1170 VanDerWaalsContact CD1-CG 3.45Å; E1168-N1170 HydrophobicContact CG-CB 4.03Å; E1168-N1170 WeakPolarHBondContact OE1-CB 3.37Å; E1168-N1170 PolarHBondContact OE1-ND2 2.84Å; N1170-H1172 PolarHBondContact O-N 3.3Å; N1170-Q1173 PolarHBondContact O-N 3.14Å; N1170-Q1173 VanDerWaalsContact OD1-CA 3.25Å; N1170-Q1173 WeakPolarHBondContact OD1-CA 3.45Å; N1170-Q1173 PolarHBondContact OD1-N 2.66Å; N1170-L1174 PolarHBondContact ND2-O 2.97Å; N1170-L1174 PolarHBondContact OD1-N 2.66Å | ||
| 1171 | P | 92.1 | Very high | 91.8 | Very high | 99 Ų | 99 | 48 Ų | 48 | 64% | 0.643 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.7 | -175.5 | 26.3 | -34.1 | 0 | 0 | 0 | 113.7 | ||
| 1172 | H | 88.5 | Confident | 91.6 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5.1 | -177.9 | -63.7 | -73.7 | 0 | 0 | 0 | 114.3 | E1154 N1170 L1174 | E1154-H1172 PolarHBondContact O-CD2 3.19Å; N1170-H1172 PolarHBondContact O-N 3.3Å; H1172-L1174 HydrophobicContact CB-CD1 4.44Å; H1172-L1174 HydrophobicContact CB-CD2 4.39Å; H1172-L1174 HydrophobicContact CB-CG 3.98Å; H1172-L1174 PolarHBondContact O-N 2.88Å |
| 1173 | Q | 89.1 | Confident | 91.8 | Very high | 179 Ų | 179 | 48.8 Ų | 48.8 | 84% | 0.836 | 25% | 0.252 | S | S | * | . | trans | 53.6 | 38.4 | -178.5 | -58 | -177.6 | -6.3 | 0 | 0 | 113.3 | N1170 | N1170-Q1173 PolarHBondContact O-N 3.14Å; N1170-Q1173 VanDerWaalsContact OD1-CA 3.25Å; N1170-Q1173 WeakPolarHBondContact OD1-CA 3.45Å; N1170-Q1173 PolarHBondContact OD1-N 2.66Å | ||
| 1174 | L | 91.6 | Very high | 92 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -73.4 | 131.3 | 178 | -62.1 | -179.6 | 0 | 0 | 0 | 110.5 | L1146 E1154 W1155 N1170 H1172 Q1176 | L1146-L1174 HydrophobicContact CD1-CD1 4.1Å; E1154-L1174 HydrophobicContact CB-CD1 3.72Å; W1155-L1174 HydrophobicContact CB-CB 4.46Å; W1155-L1174 HydrophobicContact CB-CD1 4.13Å; N1170-L1174 PolarHBondContact ND2-O 2.97Å; N1170-L1174 PolarHBondContact OD1-N 2.66Å; H1172-L1174 HydrophobicContact CB-CD1 4.44Å; H1172-L1174 HydrophobicContact CB-CD2 4.39Å; H1172-L1174 HydrophobicContact CB-CG 3.98Å; H1172-L1174 PolarHBondContact O-N 2.88Å; L1174-Q1176 PolarHBondContact O-N 3.04Å | ||
| 1175 | Q | 88.8 | Confident | 92.1 | Very high | 72 Ų | 72 | 51 Ų | 51 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | trans | -80.1 | 108.8 | 177.9 | 177.8 | 175.4 | 56.7 | 0 | 0 | 110.8 | I1033 R1047 L1177 | I1033-Q1175 HydrophobicContact CD1-CB 4.27Å; I1033-Q1175 HydrophobicContact CD1-CG 4.49Å; R1047-Q1175 VanDerWaalsContact CZ-O 3.29Å; R1047-Q1175 PolarHBondContact NH1-O 2.97Å; R1047-Q1175 PolarHBondContact NH2-O 2.82Å; Q1175-L1177 HydrophobicContact CG-CD1 4.2Å; Q1175-L1177 HydrophobicContact CG-CD2 4.06Å; Q1175-L1177 HydrophobicContact CG-CG 3.86Å | ||
| 1176 | Q | 92.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | trans | -111.8 | 106.5 | 174.1 | -176.8 | 63.3 | -86.6 | 0 | 0 | 112.4 | Y1135 W1155 L1174 R1179 | Y1135-Q1176 PolarHBondContact OH-OE1 3.3Å; W1155-Q1176 HydrophobicContact CD2-CB 4.11Å; W1155-Q1176 HydrophobicContact CD2-CG 4.38Å; W1155-Q1176 HydrophobicContact CE3-CG 4.34Å; W1155-Q1176 HydrophobicContact CH2-CB 4.16Å; W1155-Q1176 HydrophobicContact CH2-CG 3.6Å; W1155-Q1176 HydrophobicContact CZ2-CB 3.64Å; W1155-Q1176 HydrophobicContact CZ2-CG 3.6Å; W1155-Q1176 HydrophobicContact CZ3-CG 3.97Å; L1174-Q1176 PolarHBondContact O-N 3.04Å; Q1176-R1179 PolarHBondContact O-NH1 3.28Å | ||
| 1177 | L | 92.5 | Very high | 92.3 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | trans | -104.8 | -17.4 | -177.3 | -57.5 | -179.1 | 0 | 0 | 0 | 114.1 | Q1175 Q1184 Y1185 | Q1175-L1177 HydrophobicContact CG-CD1 4.2Å; Q1175-L1177 HydrophobicContact CG-CD2 4.06Å; Q1175-L1177 HydrophobicContact CG-CG 3.86Å; L1177-Q1184 HydrophobicContact CB-CG 3.92Å; L1177-Q1184 CarbonylContact O-C 3.51Å; L1177-Q1184 WeakPolarHBondContact O-CA 3.22Å; L1177-Y1185 PolarHBondContact O-N 3.41Å | ||
| 1178 | I | 94.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 144.7 | 179.5 | -57.6 | 179.4 | 0 | 0 | 0 | 109.5 | T1035 P1044 Y1135 P1143 | T1035-I1178 HydrophobicContact CG2-CD1 3.79Å; P1044-I1178 HydrophobicContact CB-CD1 4.05Å; P1044-I1178 HydrophobicContact CG-CD1 4.37Å; P1044-I1178 HydrophobicContact CG-CG2 4.22Å; Y1135-I1178 HydrophobicContact CE1-CD1 4.04Å; P1143-I1178 HydrophobicContact CG-CB 4.16Å; P1143-I1178 HydrophobicContact CG-CG2 3.96Å |
| 1179 | R | 94.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 41 Ų | 41 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | trans | -124.5 | -131.3 | 178.7 | -63.5 | -67.3 | -179.6 | -89.9 | 2.3 | 109.4 | L1142 P1143 Q1176 Q1183 Y1192 | L1142-R1179 WeakPolarHBondContact CD1-O 3.08Å; P1143-R1179 WeakPolarHBondContact CD-O 3.18Å; Q1176-R1179 PolarHBondContact O-NH1 3.28Å; R1179-Q1183 HydrophobicContact CB-CB 4.02Å; R1179-Q1183 PolarHBondContact N-O 2.82Å; R1179-Y1192 HydrophobicContact CB-CD2 3.72Å; R1179-Y1192 HydrophobicContact CB-CE2 3.71Å; R1179-Y1192 HydrophobicContact CB-CG 4.32Å; R1179-Y1192 HydrophobicContact CG-CD1 4.06Å; R1179-Y1192 HydrophobicContact CG-CD2 3.75Å; R1179-Y1192 HydrophobicContact CG-CE1 3.9Å; R1179-Y1192 HydrophobicContact CG-CE2 3.52Å; R1179-Y1192 HydrophobicContact CG-CG 4.03Å; R1179-Y1192 PolarHBondContact NE-OH 2.95Å | ||
| 1180 | L | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -58.2 | 159.7 | 168.7 | -66.2 | 161.5 | 0 | 0 | 0 | 109.2 | L1142 G1182 Q1183 | L1142-L1180 HydrophobicContact CB-CD2 4.3Å; L1142-L1180 HydrophobicContact CD2-CD2 4.46Å; L1180-G1182 PolarHBondContact O-N 2.89Å; L1180-Q1183 HydrophobicContact CB-CG 4.27Å; L1180-Q1183 VanDerWaalsContact O-CB 3.24Å; L1180-Q1183 WeakPolarHBondContact O-CB 3.1Å; L1180-Q1183 PolarHBondContact O-N 3.37Å |
| 1181 | P | 89.4 | Confident | 92 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 136.7 | -179.4 | -25.7 | 34.1 | 0 | 0 | 0 | 111.7 | F1042 R1140 Q1183 I1231 P1233 | F1042-P1181 HydrophobicContact CB-CB 3.62Å; R1140-P1181 WeakPolarHBondContact O-CD 3.32Å; R1140-P1181 WeakPolarHBondContact O-CG 3.32Å; P1181-Q1183 PolarHBondContact O-N 2.93Å; P1181-I1231 HydrophobicContact CB-CD1 4.18Å; P1181-I1231 HydrophobicContact CG-CD1 3.86Å; P1181-P1233 HydrophobicContact CB-CB 4.35Å; P1181-P1233 HydrophobicContact CB-CG 4.27Å; P1181-P1233 WeakPolarHBondContact O-CA 3.32Å |
| 1182 | G | 88.1 | Confident | 92.2 | Very high | 21 Ų | 21 | 32 Ų | 32 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -20.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1180 P1233 | L1180-G1182 PolarHBondContact O-N 2.89Å; G1182-P1233 VanDerWaalsContact CA-O 3.28Å; G1182-P1233 WeakPolarHBondContact CA-O 3.19Å |
| 1183 | Q | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.5 | -165.7 | -57.9 | -171.2 | -4.1 | 0 | 0 | 114.2 | R1179 L1180 P1181 Y1193 N1194 | R1179-Q1183 HydrophobicContact CB-CB 4.02Å; R1179-Q1183 PolarHBondContact N-O 2.82Å; L1180-Q1183 HydrophobicContact CB-CG 4.27Å; L1180-Q1183 VanDerWaalsContact O-CB 3.24Å; L1180-Q1183 WeakPolarHBondContact O-CB 3.1Å; L1180-Q1183 PolarHBondContact O-N 3.37Å; P1181-Q1183 PolarHBondContact O-N 2.93Å; Q1183-Y1193 CarbonylContact C-O 3.57Å; Q1183-Y1193 WeakPolarHBondContact CA-O 3.49Å; Q1183-N1194 HydrophobicContact CG-CB 3.92Å; Q1183-N1194 PolarHBondContact NE2-ND2 2.91Å |
| 1184 | Q | 94.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.019 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.6 | 176.6 | -171.6 | -170.2 | 27.7 | 0 | 0 | 111.8 | L1023 L1177 Y1192 Y1193 | L1023-Q1184 HydrophobicContact CD2-CB 4.36Å; L1023-Q1184 HydrophobicContact CD2-CG 4.3Å; L1177-Q1184 HydrophobicContact CB-CG 3.92Å; L1177-Q1184 CarbonylContact O-C 3.51Å; L1177-Q1184 WeakPolarHBondContact O-CA 3.22Å; Q1184-Y1192 CarbonylContact O-C 3.18Å; Q1184-Y1192 WeakPolarHBondContact O-CA 3.42Å; Q1184-Y1193 PolarHBondContact N-O 3.35Å; Q1184-Y1193 PolarHBondContact O-N 2.84Å |
| 1185 | Y | 95.1 | Very high | 92.8 | Very high | 64 Ų | 64 | 18.8 Ų | 18.8 | 25% | 0.251 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132 | 178.2 | 177 | -130.5 | 0 | 0 | 0 | 114.2 | L1177 E1187 Y1192 | L1177-Y1185 PolarHBondContact O-N 3.41Å; Y1185-E1187 HydrophobicContact CE1-CB 4.15Å; Y1185-E1187 HydrophobicContact CE1-CG 4.49Å; Y1185-Y1192 AromaticContact CD2-CD1 3.66Å; Y1185-Y1192 HydrophobicContact CD2-CD1 3.66Å; Y1185-Y1192 AromaticContact CD2-CE1 3.37Å; Y1185-Y1192 HydrophobicContact CD2-CE1 3.37Å; Y1185-Y1192 HydrophobicContact CE2-CE1 4.1Å; Y1185-Y1192 HydrophobicContact CG-CD1 4.28Å; Y1185-Y1192 AromaticContact CG-CE1 3.98Å; Y1185-Y1192 HydrophobicContact CG-CE1 3.98Å |
| 1186 | D | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -107.2 | 99.3 | 170.1 | -77.6 | -24.4 | 0 | 0 | 0 | 111.7 | R989 K992 E1188 S1189 G1190 L1191 Y1198 | R989-D1186 IonicContact CZ-OD1 2.79Å; R989-D1186 IonicContact CZ-OD2 3.74Å; R989-D1186 VanDerWaalsContact NH1-CG 3.32Å; R989-D1186 IonicContact NH1-OD1 3.72Å; R989-D1186 PolarHBondContact NH1-OD1 2.71Å; R989-D1186 IonicContact NH1-OD2 2.75Å; R989-D1186 PolarHBondContact NH1-OD2 3.21Å; R989-D1186 IonicContact NH2-OD1 3.31Å; R989-D1186 PolarHBondContact NH2-OD1 3.18Å; R989-D1186 IonicContact NH2-OD2 3.64Å; K992-D1186 IonicContact NZ-OD1 3.64Å; K992-D1186 PolarHBondContact NZ-OD1 3.17Å; D1186-E1188 WeakPolarHBondContact CB-OE1 3.43Å; D1186-E1188 PolarHBondContact O-N 3.45Å; D1186-S1189 WeakPolarHBondContact CB-OG 3.27Å; D1186-S1189 PolarHBondContact O-N 2.87Å; D1186-S1189 VanDerWaalsContact O-N 3.12Å; D1186-S1189 PolarHBondContact O-OG 2.99Å; D1186-G1190 PolarHBondContact O-N 3.03Å; D1186-L1191 PolarHBondContact N-O 2.69Å; D1186-Y1198 WeakPolarHBondContact OD2-CE1 3.19Å | ||
| 1187 | E | 91.7 | Very high | 92.9 | Very high | 117 Ų | 117 | 16.9 Ų | 16.9 | 55% | 0.547 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -37.7 | 179.3 | -167.6 | -147.6 | 147.6 | 0 | 0 | 113.6 | R996 Y1185 S1189 | R996-E1187 IonicContact CZ-OE1 3.58Å; R996-E1187 IonicContact CZ-OE2 3.58Å; R996-E1187 IonicContact NH2-OE1 2.83Å; R996-E1187 PolarHBondContact NH2-OE1 2.87Å; R996-E1187 IonicContact NH2-OE2 3.85Å; R996-E1187 PolarHBondContact NH2-OE2 2.88Å; Y1185-E1187 HydrophobicContact CE1-CB 4.15Å; Y1185-E1187 HydrophobicContact CE1-CG 4.49Å; E1187-S1189 PolarHBondContact O-N 2.65Å |
| 1188 | E | 91.8 | Very high | 93 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -38.3 | 179.1 | 61.2 | -79.2 | -179 | 0 | 0 | 113.9 | Y967 R969 V977 S979 Y981 K992 V994 D1186 | Y967-E1188 HydrophobicContact CD1-CB 4.49Å; Y967-E1188 HydrophobicContact CD1-CG 4.27Å; Y967-E1188 HydrophobicContact CE1-CB 4.31Å; Y967-E1188 HydrophobicContact CE1-CG 4.48Å; Y967-E1188 WeakPolarHBondContact CE1-O 3.43Å; Y967-E1188 PolarHBondContact OH-O 2.85Å; R969-E1188 PolarHBondContact NH1-O 2.67Å; V977-E1188 HydrophobicContact CG2-CB 3.95Å; S979-E1188 WeakPolarHBondContact OG-CG 3.29Å; Y981-E1188 PolarHBondContact OH-OE1 2.81Å; K992-E1188 WeakPolarHBondContact CD-OE1 3.29Å; K992-E1188 WeakPolarHBondContact CE-OE1 2.94Å; K992-E1188 IonicContact NZ-OE1 2.99Å; K992-E1188 PolarHBondContact NZ-OE1 2.92Å; K992-E1188 IonicContact NZ-OE2 2.81Å; K992-E1188 PolarHBondContact NZ-OE2 2.85Å; V994-E1188 HydrophobicContact CG1-CB 4.4Å; D1186-E1188 WeakPolarHBondContact CB-OE1 3.43Å; D1186-E1188 PolarHBondContact O-N 3.45Å |
| 1189 | S | 91.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -26.3 | -168.9 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | D1186 E1187 L1191 | D1186-S1189 WeakPolarHBondContact CB-OG 3.27Å; D1186-S1189 PolarHBondContact O-N 2.87Å; D1186-S1189 VanDerWaalsContact O-N 3.12Å; D1186-S1189 PolarHBondContact O-OG 2.99Å; E1187-S1189 PolarHBondContact O-N 2.65Å; S1189-L1191 VanDerWaalsContact C-N 3.3Å; S1189-L1191 WeakPolarHBondContact OG-CB 3.33Å; S1189-L1191 PolarHBondContact OG-N 3.35Å; S1189-L1191 VanDerWaalsContact OG-N 3.16Å |
| 1190 | G | 90.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 15.5 Ų | 15.5 | 33% | 0.33 | 8% | 0.084 | S | C | . | . | S | Bend | trans | 86.9 | -4.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1186 | D1186-G1190 PolarHBondContact O-N 3.03Š|
| 1191 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -93.3 | 159.8 | -172.4 | -59.7 | 170 | 0 | 0 | 0 | 112.3 | Y956 D1186 S1189 Y1198 D1200 I1207 | Y956-L1191 HydrophobicContact CD1-CD1 4.37Å; Y956-L1191 HydrophobicContact CE1-CD1 3.65Å; D1186-L1191 PolarHBondContact N-O 2.69Å; S1189-L1191 VanDerWaalsContact C-N 3.3Å; S1189-L1191 WeakPolarHBondContact OG-CB 3.33Å; S1189-L1191 PolarHBondContact OG-N 3.35Å; S1189-L1191 VanDerWaalsContact OG-N 3.16Å; L1191-Y1198 HydrophobicContact CB-CD1 4.12Å; L1191-Y1198 HydrophobicContact CD1-CD1 4.26Å; L1191-D1200 HydrophobicContact CD2-CB 3.69Å; L1191-I1207 HydrophobicContact CD1-CD1 3.68Å; L1191-I1207 HydrophobicContact CD2-CG2 4.04Å | ||
| 1192 | Y | 95.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 113.1 | 171.5 | -61 | -6.8 | 0 | 0 | 0 | 108.8 | G1163 R1179 Q1184 Y1185 N1194 Y1198 Y1199 P1201 | G1163-Y1192 WeakPolarHBondContact O-CE2 3.19Å; G1163-Y1192 PolarHBondContact O-OH 2.96Å; R1179-Y1192 HydrophobicContact CB-CD2 3.72Å; R1179-Y1192 HydrophobicContact CB-CE2 3.71Å; R1179-Y1192 HydrophobicContact CB-CG 4.32Å; R1179-Y1192 HydrophobicContact CG-CD1 4.06Å; R1179-Y1192 HydrophobicContact CG-CD2 3.75Å; R1179-Y1192 HydrophobicContact CG-CE1 3.9Å; R1179-Y1192 HydrophobicContact CG-CE2 3.52Å; R1179-Y1192 HydrophobicContact CG-CG 4.03Å; R1179-Y1192 PolarHBondContact NE-OH 2.95Å; Q1184-Y1192 CarbonylContact O-C 3.18Å; Q1184-Y1192 WeakPolarHBondContact O-CA 3.42Å; Y1185-Y1192 AromaticContact CD2-CD1 3.66Å; Y1185-Y1192 HydrophobicContact CD2-CD1 3.66Å; Y1185-Y1192 AromaticContact CD2-CE1 3.37Å; Y1185-Y1192 HydrophobicContact CD2-CE1 3.37Å; Y1185-Y1192 HydrophobicContact CE2-CE1 4.1Å; Y1185-Y1192 HydrophobicContact CG-CD1 4.28Å; Y1185-Y1192 AromaticContact CG-CE1 3.98Å; Y1185-Y1192 HydrophobicContact CG-CE1 3.98Å; Y1192-N1194 PolarHBondContact O-N 2.83Å; Y1192-Y1198 WeakPolarHBondContact O-CA 3.41Å; Y1192-Y1199 AromaticContact CD2-CD1 3.85Å; Y1192-Y1199 HydrophobicContact CD2-CD1 3.85Å; Y1192-Y1199 HydrophobicContact CD2-CE1 4.2Å; Y1192-Y1199 HydrophobicContact CG-CD1 4.33Å; Y1192-Y1199 PolarHBondContact N-O 2.98Å; Y1192-Y1199 PolarHBondContact O-N 3.41Å; Y1192-P1201 HydrophobicContact CD1-CG 4.46Å; Y1192-P1201 HydrophobicContact CD2-CB 4.36Å; Y1192-P1201 HydrophobicContact CD2-CG 4.27Å; Y1192-P1201 HydrophobicContact CE1-CG 4.06Å; Y1192-P1201 HydrophobicContact CE2-CB 3.94Å; Y1192-P1201 HydrophobicContact CE2-CG 3.9Å |
| 1193 | Y | 96.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.2 | 170.6 | 171.1 | -117.6 | 0 | 0 | 0 | 108.9 | Y983 R989 W1018 Q1183 Q1184 R1195 Y1198 | Y983-Y1193 HydrophobicContact CE1-CE2 4.29Å; R989-Y1193 HydrophobicContact CB-CD1 4.29Å; R989-Y1193 HydrophobicContact CB-CE1 3.56Å; R989-Y1193 HydrophobicContact CB-CE2 4.29Å; R989-Y1193 PolarHBondContact N-OH 2.75Å; R989-Y1193 VanDerWaalsContact N-OH 3.08Å; W1018-Y1193 AromaticContact CH2-CE1 3.77Å; W1018-Y1193 HydrophobicContact CH2-CE1 3.77Å; W1018-Y1193 AromaticContact CZ2-CE1 3.84Å; W1018-Y1193 HydrophobicContact CZ2-CE1 3.84Å; Q1183-Y1193 CarbonylContact C-O 3.57Å; Q1183-Y1193 WeakPolarHBondContact CA-O 3.49Å; Q1184-Y1193 PolarHBondContact N-O 3.35Å; Q1184-Y1193 PolarHBondContact O-N 2.84Å; Y1193-R1195 VanDerWaalsContact CE2-O 3.24Å; Y1193-R1195 WeakPolarHBondContact CE2-O 3.27Å; Y1193-R1195 VanDerWaalsContact CZ-O 3.32Å; Y1193-R1195 PolarHBondContact OH-O 3Å; Y1193-Y1198 HydrophobicContact CD2-CD2 4.15Å; Y1193-Y1198 HydrophobicContact CD2-CE1 4.13Å; Y1193-Y1198 AromaticContact CD2-CE2 3.6Å; Y1193-Y1198 HydrophobicContact CD2-CE2 3.6Å; Y1193-Y1198 AromaticContact CD2-CZ 3.59Å; Y1193-Y1198 HydrophobicContact CE2-CE2 4.2Å; Y1193-Y1198 HydrophobicContact CG-CE1 4.38Å |
| 1194 | N | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 78.1 | -176.2 | -166 | 17.1 | 0 | 0 | 0 | 109.4 | Q1183 Y1192 H1196 R1197 Y1206 D1232 P1233 L1234 G1235 | Q1183-N1194 HydrophobicContact CG-CB 3.92Å; Q1183-N1194 PolarHBondContact NE2-ND2 2.91Å; Y1192-N1194 PolarHBondContact O-N 2.83Å; N1194-H1196 VanDerWaalsContact C-N 3.3Å; N1194-H1196 PolarHBondContact O-N 2.97Å; N1194-R1197 CarbonylContact C-O 3.59Å; N1194-R1197 PolarHBondContact N-O 2.86Å; N1194-R1197 PolarHBondContact O-N 2.8Å; N1194-Y1206 HydrophobicContact CB-CE1 4.24Å; N1194-Y1206 PolarHBondContact ND2-OH 2.8Å; N1194-D1232 PolarHBondContact ND2-O 3.15Å; N1194-P1233 PolarHBondContact OD1-O 3.32Å; N1194-L1234 VanDerWaalsContact O-O 3.09Å; N1194-G1235 PolarHBondContact ND2-N 2.8Å |
| 1195 | R | 90.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 20.1 Ų | 20.1 | 3% | 0.034 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | -72 | -178.9 | -179.9 | 70 | 176.7 | 86.5 | 2.6 | 116.2 | L986 G987 D1021 Y1193 L1234 | L986-R1195 PolarHBondContact O-NH1 2.9Å; L986-R1195 PolarHBondContact O-NH2 3.47Å; G987-R1195 VanDerWaalsContact C-NH1 3.32Å; G987-R1195 PolarHBondContact O-NH1 3.19Å; D1021-R1195 IonicContact OD1-CZ 3.98Å; D1021-R1195 IonicContact OD1-NE 2.7Å; D1021-R1195 PolarHBondContact OD1-NE 3.41Å; D1021-R1195 IonicContact OD1-NH2 2.85Å; D1021-R1195 PolarHBondContact OD1-NH2 3.29Å; Y1193-R1195 VanDerWaalsContact CE2-O 3.24Å; Y1193-R1195 WeakPolarHBondContact CE2-O 3.27Å; Y1193-R1195 VanDerWaalsContact CZ-O 3.32Å; Y1193-R1195 PolarHBondContact OH-O 3Å; R1195-L1234 HydrophobicContact CB-CD2 4.36Å; R1195-L1234 WeakPolarHBondContact CB-O 3.39Å; R1195-L1234 HydrophobicContact CG-CD2 3.86Å |
| 1196 | H | 90.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 17.1 Ų | 17.1 | 19% | 0.194 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -27.5 | 177.6 | -70 | -91.6 | 0 | 0 | 0 | 114.7 | N1194 P1211 L1234 L1236 I1374 | N1194-H1196 VanDerWaalsContact C-N 3.3Å; N1194-H1196 PolarHBondContact O-N 2.97Å; H1196-P1211 HydrophobicContact CB-CG 4.38Å; H1196-L1234 PolarHBondContact CD2-O 2.99Å; H1196-L1234 VanDerWaalsContact CD2-O 3.29Å; H1196-L1234 PolarHBondContact N-O 3.42Å; H1196-L1234 VanDerWaalsContact N-O 3.16Å; H1196-L1236 HydrophobicContact CB-CD2 3.65Å; H1196-L1236 HydrophobicContact CB-CG 4.01Å; H1196-L1236 VanDerWaalsContact CD2-CD1 3.43Å; H1196-L1236 WeakPolarHBondContact CD2-CD1 3.33Å; H1196-I1374 WeakPolarHBondContact NE2-CD1 3.28Å |
| 1197 | R | 93.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 173.3 | -174.1 | -70.5 | -168.3 | -73 | -170.6 | -9.6 | 112.4 | N1194 Y1206 D1210 L1220 D1232 G1235 | N1194-R1197 CarbonylContact C-O 3.59Å; N1194-R1197 PolarHBondContact N-O 2.86Å; N1194-R1197 PolarHBondContact O-N 2.8Å; R1197-Y1206 HydrophobicContact CB-CD1 3.47Å; R1197-Y1206 VanDerWaalsContact CB-CD1 3.47Å; R1197-Y1206 HydrophobicContact CB-CE1 3.92Å; R1197-Y1206 HydrophobicContact CB-CG 4.04Å; R1197-Y1206 HydrophobicContact CG-CD1 4.43Å; R1197-Y1206 VanDerWaalsContact CZ-CE2 3.44Å; R1197-Y1206 VanDerWaalsContact NH2-CE2 3.3Å; R1197-D1210 VanDerWaalsContact CZ-CG 3.5Å; R1197-D1210 IonicContact CZ-OD2 2.73Å; R1197-D1210 VanDerWaalsContact CZ-OD2 3.23Å; R1197-D1210 VanDerWaalsContact NH1-CA 3.34Å; R1197-D1210 VanDerWaalsContact NH1-CB 3.32Å; R1197-D1210 IonicContact NH1-OD2 3.98Å; R1197-D1210 PolarHBondContact NH1-OD2 3.26Å; R1197-D1210 VanDerWaalsContact NH2-CG 3.34Å; R1197-D1210 IonicContact NH2-OD1 3Å; R1197-D1210 IonicContact NH2-OD2 2.82Å; R1197-D1210 PolarHBondContact NH2-OD2 3.09Å; R1197-L1220 PolarHBondContact NH1-O 2.79Å; R1197-L1220 VanDerWaalsContact NH1-O 3.08Å; R1197-D1232 IonicContact NH2-OD2 3.52Å; R1197-G1235 PolarHBondContact NE-O 3.4Å; R1197-G1235 PolarHBondContact NH2-O 2.97Å |
| 1198 | Y | 95.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 12.4 Ų | 12.4 | 4% | 0.039 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.3 | 169.8 | -78 | -105.5 | 0 | 0 | 0 | 109 | L964 Y983 R989 D1186 L1191 Y1192 Y1193 Y1206 I1207 | L964-Y1198 HydrophobicContact CB-CD2 4.09Å; L964-Y1198 HydrophobicContact CB-CE2 3.66Å; L964-Y1198 HydrophobicContact CD2-CD1 4.08Å; L964-Y1198 HydrophobicContact CD2-CD2 4.33Å; L964-Y1198 HydrophobicContact CD2-CE1 3.83Å; L964-Y1198 HydrophobicContact CD2-CE2 4.12Å; L964-Y1198 HydrophobicContact CD2-CG 4.31Å; Y983-Y1198 PolarHBondContact OH-OH 2.82Å; R989-Y1198 PolarHBondContact NH1-OH 2.83Å; R989-Y1198 VanDerWaalsContact NH1-OH 3.12Å; D1186-Y1198 WeakPolarHBondContact OD2-CE1 3.19Å; L1191-Y1198 HydrophobicContact CB-CD1 4.12Å; L1191-Y1198 HydrophobicContact CD1-CD1 4.26Å; Y1192-Y1198 WeakPolarHBondContact O-CA 3.41Å; Y1193-Y1198 HydrophobicContact CD2-CD2 4.15Å; Y1193-Y1198 HydrophobicContact CD2-CE1 4.13Å; Y1193-Y1198 AromaticContact CD2-CE2 3.6Å; Y1193-Y1198 HydrophobicContact CD2-CE2 3.6Å; Y1193-Y1198 AromaticContact CD2-CZ 3.59Å; Y1193-Y1198 HydrophobicContact CE2-CE2 4.2Å; Y1193-Y1198 HydrophobicContact CG-CE1 4.38Å; Y1198-Y1206 WeakPolarHBondContact O-CA 3.46Å; Y1198-I1207 PolarHBondContact O-N 3.08Å |
| 1199 | Y | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.3 | -178 | 173.5 | -111.9 | 0 | 0 | 0 | 110.3 | W1162 Y1192 P1201 G1204 R1205 Y1206 Y1223 | W1162-Y1199 VanDerWaalsContact O-CE1 3.29Å; W1162-Y1199 WeakPolarHBondContact O-CE1 3.28Å; W1162-Y1199 PolarHBondContact O-OH 3.45Å; Y1192-Y1199 AromaticContact CD2-CD1 3.85Å; Y1192-Y1199 HydrophobicContact CD2-CD1 3.85Å; Y1192-Y1199 HydrophobicContact CD2-CE1 4.2Å; Y1192-Y1199 HydrophobicContact CG-CD1 4.33Å; Y1192-Y1199 PolarHBondContact N-O 2.98Å; Y1192-Y1199 PolarHBondContact O-N 3.41Å; Y1199-P1201 HydrophobicContact CD1-CB 4.21Å; Y1199-P1201 HydrophobicContact CE1-CB 3.65Å; Y1199-P1201 WeakPolarHBondContact O-CD 3.28Å; Y1199-G1204 VanDerWaalsContact CE2-C 3.48Å; Y1199-R1205 WeakPolarHBondContact CD2-O 3.31Å; Y1199-Y1206 HydrophobicContact CD2-CD1 4.48Å; Y1199-Y1206 HydrophobicContact CD2-CE1 4.34Å; Y1199-Y1206 HydrophobicContact CG-CE1 4.46Å; Y1199-Y1223 AromaticContact CD2-CD2 3.95Å; Y1199-Y1223 HydrophobicContact CD2-CD2 3.95Å; Y1199-Y1223 HydrophobicContact CD2-CG 4.11Å; Y1199-Y1223 HydrophobicContact CE2-CD1 4.03Å; Y1199-Y1223 AromaticContact CE2-CD2 3.78Å; Y1199-Y1223 HydrophobicContact CE2-CD2 3.78Å; Y1199-Y1223 HydrophobicContact CE2-CE2 4.49Å; Y1199-Y1223 AromaticContact CE2-CG 3.52Å; Y1199-Y1223 HydrophobicContact CE2-CG 3.52Å |
| 1200 | D | 93.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 103.8 | 170.2 | -168.4 | -37.5 | 0 | 0 | 0 | 108.3 | K937 L1191 L1202 Q1203 G1204 R1205 I1207 | K937-D1200 IonicContact NZ-OD2 3.53Å; K937-D1200 PolarHBondContact NZ-OD2 3.24Å; L1191-D1200 HydrophobicContact CD2-CB 3.69Å; D1200-L1202 VanDerWaalsContact C-N 3.26Å; D1200-L1202 PolarHBondContact O-N 3.02Å; D1200-L1202 WeakPolarHBondContact OD1-CB 3.48Å; D1200-L1202 PolarHBondContact OD1-N 2.77Å; D1200-L1202 VanDerWaalsContact OD1-N 3.11Å; D1200-Q1203 HydrophobicContact CB-CB 4.47Å; D1200-Q1203 PolarHBondContact O-N 3.26Å; D1200-G1204 PolarHBondContact O-N 3.07Å; D1200-R1205 PolarHBondContact N-O 3.1Å; D1200-R1205 PolarHBondContact O-N 2.83Å; D1200-I1207 HydrophobicContact CB-CG2 4.12Å |
| 1201 | P | 91.3 | Very high | 92 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22.2 | -175.9 | 29.8 | -37.4 | 0 | 0 | 0 | 113.1 | N1164 Y1192 Y1199 Q1203 G1204 | N1164-P1201 PolarHBondContact ND2-O 2.87Å; N1164-P1201 VanDerWaalsContact OD1-CB 3.28Å; N1164-P1201 WeakPolarHBondContact OD1-CB 3.46Å; N1164-P1201 VanDerWaalsContact OD1-CG 3.3Å; N1164-P1201 WeakPolarHBondContact OD1-CG 3.35Å; Y1192-P1201 HydrophobicContact CD1-CG 4.46Å; Y1192-P1201 HydrophobicContact CD2-CB 4.36Å; Y1192-P1201 HydrophobicContact CD2-CG 4.27Å; Y1192-P1201 HydrophobicContact CE1-CG 4.06Å; Y1192-P1201 HydrophobicContact CE2-CB 3.94Å; Y1192-P1201 HydrophobicContact CE2-CG 3.9Å; Y1199-P1201 HydrophobicContact CD1-CB 4.21Å; Y1199-P1201 HydrophobicContact CE1-CB 3.65Å; Y1199-P1201 WeakPolarHBondContact O-CD 3.28Å; P1201-Q1203 VanDerWaalsContact C-N 3.32Å; P1201-G1204 PolarHBondContact O-N 3.04Å |
| 1202 | L | 86.7 | Confident | 90.9 | Very high | 81 Ų | 81 | 13.9 Ų | 13.9 | 42% | 0.424 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -39.9 | 175.5 | -64 | 170.7 | 0 | 0 | 0 | 110.4 | R898 Y924 N1164 D1200 | R898-L1202 PolarHBondContact NH1-O 2.83Å; Y924-L1202 HydrophobicContact CE2-CD1 4.5Å; N1164-L1202 PolarHBondContact OD1-N 3.25Å; D1200-L1202 VanDerWaalsContact C-N 3.26Å; D1200-L1202 PolarHBondContact O-N 3.02Å; D1200-L1202 WeakPolarHBondContact OD1-CB 3.48Å; D1200-L1202 PolarHBondContact OD1-N 2.77Å; D1200-L1202 VanDerWaalsContact OD1-N 3.11Å |
| 1203 | Q | 88 | Confident | 90 | Very high | 24 Ų | 24 | 14 Ų | 14 | 11% | 0.112 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -16.9 | 177.8 | -65.3 | -58.2 | -68.1 | 0 | 0 | 113.6 | R898 I918 D921 Y926 D1200 P1201 R1205 | R898-Q1203 WeakPolarHBondContact CD-O 3.44Å; R898-Q1203 WeakPolarHBondContact CG-O 3.37Å; R898-Q1203 PolarHBondContact NE-O 2.8Å; I918-Q1203 HydrophobicContact CD1-CB 4.3Å; I918-Q1203 HydrophobicContact CD1-CG 3.71Å; D921-Q1203 PolarHBondContact OD2-NE2 2.85Å; Y926-Q1203 WeakPolarHBondContact OH-CG 3.37Å; D1200-Q1203 HydrophobicContact CB-CB 4.47Å; D1200-Q1203 PolarHBondContact O-N 3.26Å; P1201-Q1203 VanDerWaalsContact C-N 3.32Å; Q1203-R1205 HydrophobicContact CB-CG 3.86Å |
| 1204 | G | 89.4 | Confident | 88.9 | Confident | 7 Ų | 7 | 15.5 Ų | 15.5 | 7% | 0.072 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 40.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1199 D1200 P1201 Y1223 | Y1199-G1204 VanDerWaalsContact CE2-C 3.48Å; D1200-G1204 PolarHBondContact O-N 3.07Å; P1201-G1204 PolarHBondContact O-N 3.04Å; G1204-Y1223 WeakPolarHBondContact O-CB 3.39Å |
| 1205 | R | 92.7 | Very high | 87.4 | Confident | 12 Ų | 12 | 18.1 Ų | 18.1 | 5% | 0.045 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 166.6 | -173.1 | 82.4 | -177.7 | -47.1 | -176 | 12.4 | 113.8 | N897 N916 Y1199 D1200 Q1203 N1219 Y1221 | N897-R1205 PolarHBondContact OD1-NH2 3.08Å; N916-R1205 VanDerWaalsContact O-CZ 3.25Å; N916-R1205 PolarHBondContact O-NH1 2.72Å; N916-R1205 PolarHBondContact O-NH2 3.38Å; Y1199-R1205 WeakPolarHBondContact CD2-O 3.31Å; D1200-R1205 PolarHBondContact N-O 3.1Å; D1200-R1205 PolarHBondContact O-N 2.83Å; Q1203-R1205 HydrophobicContact CB-CG 3.86Å; R1205-N1219 PolarHBondContact NH2-OD1 3.4Å; R1205-Y1221 WeakPolarHBondContact CB-O 3.4Å; R1205-Y1221 VanDerWaalsContact NH2-CB 3.29Å |
| 1206 | Y | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 148.8 | 172.9 | -62.9 | -71.8 | 0 | 0 | 0 | 112.8 | N1194 R1197 Y1198 Y1199 T1208 Y1221 G1222 Y1223 D1232 G1235 | N1194-Y1206 HydrophobicContact CB-CE1 4.24Å; N1194-Y1206 PolarHBondContact ND2-OH 2.8Å; R1197-Y1206 HydrophobicContact CB-CD1 3.47Å; R1197-Y1206 VanDerWaalsContact CB-CD1 3.47Å; R1197-Y1206 HydrophobicContact CB-CE1 3.92Å; R1197-Y1206 HydrophobicContact CB-CG 4.04Å; R1197-Y1206 HydrophobicContact CG-CD1 4.43Å; R1197-Y1206 VanDerWaalsContact CZ-CE2 3.44Å; R1197-Y1206 VanDerWaalsContact NH2-CE2 3.3Å; Y1198-Y1206 WeakPolarHBondContact O-CA 3.46Å; Y1199-Y1206 HydrophobicContact CD2-CD1 4.48Å; Y1199-Y1206 HydrophobicContact CD2-CE1 4.34Å; Y1199-Y1206 HydrophobicContact CG-CE1 4.46Å; Y1206-T1208 VanDerWaalsContact C-N 3.3Å; Y1206-Y1221 PolarHBondContact N-O 3.38Å; Y1206-G1222 VanDerWaalsContact CD2-O 3.29Å; Y1206-G1222 WeakPolarHBondContact CD2-O 3.31Å; Y1206-G1222 WeakPolarHBondContact CE2-O 3.22Å; Y1206-Y1223 AromaticContact CE2-CD2 3.98Å; Y1206-Y1223 HydrophobicContact CE2-CD2 3.98Å; Y1206-Y1223 AromaticContact CZ-CD2 3.84Å; Y1206-Y1223 WeakPolarHBondContact OH-CD2 3.37Å; Y1206-D1232 WeakPolarHBondContact CE2-OD2 3.03Å; Y1206-D1232 VanDerWaalsContact OH-CG 3.23Å; Y1206-D1232 PolarHBondContact OH-OD2 3.21Å; Y1206-G1235 WeakPolarHBondContact OH-CA 3.5Å |
| 1207 | I | 94.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -86.5 | 1.2 | 179.2 | 72.9 | 169 | 0 | 0 | 0 | 114 | L934 Y956 Y958 L1191 Y1198 D1200 | L934-I1207 HydrophobicContact CB-CB 3.89Å; L934-I1207 WeakPolarHBondContact CB-O 3.45Å; L934-I1207 HydrophobicContact CD2-CB 4Å; L934-I1207 HydrophobicContact CD2-CG2 3.92Å; L934-I1207 PolarHBondContact N-O 2.78Å; Y956-I1207 HydrophobicContact CD1-CD1 4.43Å; Y958-I1207 WeakPolarHBondContact OH-CD1 3.45Å; L1191-I1207 HydrophobicContact CD1-CD1 3.68Å; L1191-I1207 HydrophobicContact CD2-CG2 4.04Å; Y1198-I1207 PolarHBondContact O-N 3.08Å; D1200-I1207 HydrophobicContact CB-CG2 4.12Å |
| 1208 | T | 93.8 | Very high | 84.6 | Confident | 13 Ų | 13 | 17.5 Ų | 17.5 | 8% | 0.08 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -139.9 | 156.8 | 179.2 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | R933 Y958 Y1206 | R933-T1208 HydrophobicContact CB-CG2 4.07Å; R933-T1208 HydrophobicContact CG-CG2 3.94Å; Y958-T1208 HydrophobicContact CD1-CG2 4.49Å; Y958-T1208 HydrophobicContact CE1-CG2 3.73Å; Y1206-T1208 VanDerWaalsContact C-N 3.3Å |
| 1209 | Q | 90.6 | Very high | 84.1 | Confident | 23 Ų | 23 | 18.1 Ų | 18.1 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | trans | -65.6 | 153.4 | 173.8 | -66.8 | -179.2 | 22 | 0 | 0 | 111.3 | D660 P1211 L1220 Y1221 | D660-Q1209 PolarHBondContact OD2-NE2 3.17Å; Q1209-P1211 WeakPolarHBondContact O-CD 3.29Å; Q1209-L1220 CarbonylContact C-O 3.59Å; Q1209-L1220 WeakPolarHBondContact CA-O 3.29Å; Q1209-L1220 HydrophobicContact CB-CB 3.95Å; Q1209-L1220 HydrophobicContact CB-CD1 4.45Å; Q1209-L1220 HydrophobicContact CG-CB 3.93Å; Q1209-L1220 HydrophobicContact CG-CD1 4.31Å; Q1209-Y1221 HydrophobicContact CG-CD1 4.38Å; Q1209-Y1221 HydrophobicContact CG-CE1 3.77Å; Q1209-Y1221 HydrophobicContact CG-CE2 3.91Å; Q1209-Y1221 VanDerWaalsContact CG-CZ 3.49Å; Q1209-Y1221 PolarHBondContact NE2-OH 2.95Å | ||
| 1210 | D | 88.6 | Confident | 83.8 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | trans | -61.1 | 121.2 | 172.7 | -150.7 | -43.4 | 0 | 0 | 0 | 110.6 | R1197 I1212 G1213 L1220 | R1197-D1210 VanDerWaalsContact CZ-CG 3.5Å; R1197-D1210 IonicContact CZ-OD2 2.73Å; R1197-D1210 VanDerWaalsContact CZ-OD2 3.23Å; R1197-D1210 VanDerWaalsContact NH1-CA 3.34Å; R1197-D1210 VanDerWaalsContact NH1-CB 3.32Å; R1197-D1210 IonicContact NH1-OD2 3.98Å; R1197-D1210 PolarHBondContact NH1-OD2 3.26Å; R1197-D1210 VanDerWaalsContact NH2-CG 3.34Å; R1197-D1210 IonicContact NH2-OD1 3Å; R1197-D1210 IonicContact NH2-OD2 2.82Å; R1197-D1210 PolarHBondContact NH2-OD2 3.09Å; D1210-I1212 PolarHBondContact O-N 2.89Å; D1210-I1212 WeakPolarHBondContact OD1-CG1 3.43Å; D1210-I1212 PolarHBondContact OD1-N 2.78Å; D1210-G1213 PolarHBondContact O-N 3.12Å; D1210-L1220 PolarHBondContact N-O 3.28Å | ||
| 1211 | P | 81.6 | Confident | 83.7 | Confident | 28 Ų | 28 | 18.8 Ų | 18.8 | 18% | 0.182 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33.5 | 176.2 | -28 | 35.9 | 0 | 0 | 0 | 113.6 | H1196 Q1209 G1213 L1236 Y1372 | H1196-P1211 HydrophobicContact CB-CG 4.38Å; Q1209-P1211 WeakPolarHBondContact O-CD 3.29Å; P1211-G1213 PolarHBondContact O-N 2.88Å; P1211-L1236 HydrophobicContact CB-CD2 4.13Å; P1211-L1236 HydrophobicContact CG-CD2 3.85Å; P1211-Y1372 WeakPolarHBondContact CB-O 2.98Å |
| 1212 | I | 70.3 | Confident | 83.5 | Confident | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.9 | -179.8 | 84.6 | -178.5 | 0 | 0 | 0 | 112.7 | D1210 L1214 K1215 L1236 M1238 E1373 | D1210-I1212 PolarHBondContact O-N 2.89Å; D1210-I1212 WeakPolarHBondContact OD1-CG1 3.43Å; D1210-I1212 PolarHBondContact OD1-N 2.78Å; I1212-L1214 PolarHBondContact O-N 3.37Å; I1212-K1215 HydrophobicContact CB-CB 4.35Å; I1212-K1215 HydrophobicContact CB-CD 4.46Å; I1212-K1215 HydrophobicContact CD1-CB 4.12Å; I1212-K1215 HydrophobicContact CD1-CD 4.32Å; I1212-K1215 HydrophobicContact CD1-CG 4.03Å; I1212-K1215 HydrophobicContact CG1-CB 3.94Å; I1212-K1215 HydrophobicContact CG1-CG 4.36Å; I1212-K1215 WeakPolarHBondContact O-CB 3.33Å; I1212-K1215 PolarHBondContact O-N 2.81Å; I1212-L1236 HydrophobicContact CG2-CB 4.31Å; I1212-L1236 HydrophobicContact CG2-CD1 4.24Å; I1212-L1236 HydrophobicContact CG2-CD2 3.85Å; I1212-L1236 HydrophobicContact CG2-CG 4.36Å; I1212-M1238 HydrophobicContact CD1-CB 4.44Å; I1212-M1238 HydrophobicContact CD1-CG 3.53Å; I1212-E1373 HydrophobicContact CB-CG 4.22Å; I1212-E1373 VanDerWaalsContact CB-OE1 3.28Å; I1212-E1373 WeakPolarHBondContact CB-OE1 3.47Å; I1212-E1373 HydrophobicContact CG2-CG 3.84Å; I1212-E1373 WeakPolarHBondContact CG2-OE1 3.37Å |
| 1213 | G | 77.3 | Confident | 83.6 | Confident | 10 Ų | 10 | 16 Ų | 16 | 10% | 0.103 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | 59.2 | -132.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1210 P1211 K1215 G1216 L1220 | D1210-G1213 PolarHBondContact O-N 3.12Å; P1211-G1213 PolarHBondContact O-N 2.88Å; G1213-K1215 PolarHBondContact O-N 3.22Å; G1213-K1215 VanDerWaalsContact O-N 3.13Å; G1213-G1216 PolarHBondContact O-N 2.87Å; G1213-L1220 VanDerWaalsContact C-CD2 3.42Å; G1213-L1220 VanDerWaalsContact O-CD2 3.32Å; G1213-L1220 WeakPolarHBondContact O-CD2 3.14Å |
| 1214 | L | 73.7 | Confident | 83.5 | Confident | 36 Ų | 36 | 17.1 Ų | 17.1 | 19% | 0.188 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -63.2 | -19 | -176.1 | -66 | 167.9 | 0 | 0 | 0 | 114.1 | L635 T643 F645 F659 I1212 G1216 G1217 W1218 | L635-L1214 HydrophobicContact CD1-CD1 3.85Å; L635-L1214 HydrophobicContact CD1-CD2 4.22Å; T643-L1214 HydrophobicContact CG2-CD1 4.27Å; T643-L1214 HydrophobicContact CG2-CD2 4.39Å; F645-L1214 HydrophobicContact CE1-CD1 3.77Å; F645-L1214 HydrophobicContact CZ-CD1 3.49Å; F645-L1214 VanDerWaalsContact CZ-CD1 3.49Å; F659-L1214 HydrophobicContact CD2-CD2 4.46Å; F659-L1214 HydrophobicContact CE2-CD2 3.62Å; F659-L1214 HydrophobicContact CZ-CD2 4.39Å; I1212-L1214 PolarHBondContact O-N 3.37Å; L1214-G1216 PolarHBondContact O-N 3.46Å; L1214-G1217 WeakPolarHBondContact CA-O 3.24Å; L1214-G1217 PolarHBondContact O-N 3.02Å; L1214-W1218 HydrophobicContact CD2-CG 4.43Å |
| 1215 | K | 62.2 | Low | 83.4 | Confident | 54 Ų | 54 | 19 Ų | 19 | 24% | 0.235 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -66.6 | -18 | 172.4 | -175 | -175.1 | 173.5 | -166.5 | 0 | 111.7 | I1212 G1213 M1238 W1239 E1373 | I1212-K1215 HydrophobicContact CB-CB 4.35Å; I1212-K1215 HydrophobicContact CB-CD 4.46Å; I1212-K1215 HydrophobicContact CD1-CB 4.12Å; I1212-K1215 HydrophobicContact CD1-CD 4.32Å; I1212-K1215 HydrophobicContact CD1-CG 4.03Å; I1212-K1215 HydrophobicContact CG1-CB 3.94Å; I1212-K1215 HydrophobicContact CG1-CG 4.36Å; I1212-K1215 WeakPolarHBondContact O-CB 3.33Å; I1212-K1215 PolarHBondContact O-N 2.81Å; G1213-K1215 PolarHBondContact O-N 3.22Å; G1213-K1215 VanDerWaalsContact O-N 3.13Å; K1215-M1238 HydrophobicContact CG-CG 4.29Å; K1215-M1238 CarbonylContact O-C 3.53Å; K1215-M1238 VanDerWaalsContact O-CA 3.31Å; K1215-M1238 WeakPolarHBondContact O-CA 3.5Å; K1215-W1239 PolarHBondContact O-N 3.02Å; K1215-E1373 WeakPolarHBondContact CD-OE1 3.29Å; K1215-E1373 WeakPolarHBondContact CE-OE1 3.44Å; K1215-E1373 IonicContact NZ-OE1 3.32Å; K1215-E1373 PolarHBondContact NZ-OE1 2.84Å; K1215-E1373 IonicContact NZ-OE2 3.03Å; K1215-E1373 PolarHBondContact NZ-OE2 2.92Å |
| 1216 | G | 61.5 | Low | 83.2 | Confident | 11 Ų | 11 | 19.3 Ų | 19.3 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -105.5 | -5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1213 L1214 S1237 | G1213-G1216 PolarHBondContact O-N 2.87Å; L1214-G1216 PolarHBondContact O-N 3.46Å; G1216-S1237 CarbonylContact C-O 3.55Å; G1216-S1237 WeakPolarHBondContact CA-O 3.2Å |
| 1217 | G | 71.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 19.3 Ų | 19.3 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | trans | 151.3 | 158.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1214 L1220 | L1214-G1217 WeakPolarHBondContact CA-O 3.24Å; L1214-G1217 PolarHBondContact O-N 3.02Å; G1217-L1220 WeakPolarHBondContact O-CD2 3.31Å | ||
| 1218 | W | 82.7 | Confident | 82.5 | Confident | 18 Ų | 18 | 19.1 Ų | 19.1 | 7% | 0.068 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -89.2 | -21.5 | 161 | -70.5 | 8.5 | 0 | 0 | 0 | 111 | R622 M624 L635 T636 F659 N916 L1214 L1220 W1239 | R622-W1218 HydrophobicContact CB-CE3 4.29Å; R622-W1218 HydrophobicContact CB-CH2 3.83Å; R622-W1218 HydrophobicContact CB-CZ3 3.45Å; R622-W1218 VanDerWaalsContact CB-CZ3 3.45Å; R622-W1218 HydrophobicContact CG-CE3 3.87Å; R622-W1218 HydrophobicContact CG-CH2 4.29Å; R622-W1218 HydrophobicContact CG-CZ3 3.55Å; M624-W1218 HydrophobicContact CE-CH2 3.75Å; M624-W1218 HydrophobicContact CE-CZ2 3.69Å; M624-W1218 HydrophobicContact SD-CH2 4.18Å; L635-W1218 HydrophobicContact CB-CH2 3.9Å; L635-W1218 HydrophobicContact CB-CZ2 3.94Å; L635-W1218 HydrophobicContact CB-CZ3 4.29Å; L635-W1218 HydrophobicContact CD1-CZ2 3.82Å; L635-W1218 HydrophobicContact CD2-CH2 4.08Å; L635-W1218 HydrophobicContact CD2-CZ2 3.71Å; L635-W1218 HydrophobicContact CG-CH2 4.41Å; L635-W1218 HydrophobicContact CG-CZ2 4.02Å; T636-W1218 WeakPolarHBondContact O-CZ3 3.3Å; F659-W1218 WeakPolarHBondContact CD2-O 3.21Å; F659-W1218 HydrophobicContact CE2-CB 3.73Å; F659-W1218 HydrophobicContact CE2-CG 4.04Å; F659-W1218 VanDerWaalsContact CE2-O 3.25Å; F659-W1218 WeakPolarHBondContact CE2-O 3.43Å; F659-W1218 HydrophobicContact CZ-CB 3.8Å; F659-W1218 HydrophobicContact CZ-CD2 4.08Å; F659-W1218 HydrophobicContact CZ-CE3 4.23Å; F659-W1218 AromaticContact CZ-CG 3.87Å; F659-W1218 HydrophobicContact CZ-CG 3.87Å; N916-W1218 PolarHBondContact ND2-O 3.5Å; L1214-W1218 HydrophobicContact CD2-CG 4.43Å; W1218-L1220 PolarHBondContact O-N 3.42Å; W1218-W1239 HydrophobicContact CB-CH2 4.47Å; W1218-W1239 HydrophobicContact CB-CZ3 3.78Å; W1218-W1239 AromaticContact CD1-CE3 3.76Å; W1218-W1239 AromaticContact CD1-CH2 3.77Å; W1218-W1239 AromaticContact CD1-CZ3 3.09Å; W1218-W1239 AromaticContact CD2-CH2 3.85Å; W1218-W1239 HydrophobicContact CD2-CH2 3.85Å; W1218-W1239 AromaticContact CD2-CZ3 3.87Å; W1218-W1239 HydrophobicContact CD2-CZ3 3.87Å; W1218-W1239 AromaticContact CE2-CH2 3.81Å; W1218-W1239 AromaticContact CE2-CZ3 3.97Å; W1218-W1239 HydrophobicContact CG-CE3 4.33Å; W1218-W1239 AromaticContact CG-CH2 3.81Å; W1218-W1239 HydrophobicContact CG-CH2 3.81Å; W1218-W1239 AromaticContact CG-CZ3 3.31Å; W1218-W1239 HydrophobicContact CG-CZ3 3.31Å; W1218-W1239 VanDerWaalsContact N-CZ3 3.35Å; W1218-W1239 AromaticContact NE1-CH2 3.71Å; W1218-W1239 AromaticContact NE1-CZ3 3.46Å |
| 1219 | N | 86.5 | Confident | 81.8 | Confident | 23 Ų | 23 | 20.5 Ų | 20.5 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -92.6 | 89.8 | 162.8 | -170.8 | -19.1 | 0 | 0 | 0 | 109 | A895 N897 R1205 Y1221 G1222 | A895-N1219 PolarHBondContact O-ND2 2.77Å; N897-N1219 PolarHBondContact OD1-ND2 2.74Å; R1205-N1219 PolarHBondContact NH2-OD1 3.4Å; N1219-Y1221 PolarHBondContact O-N 3.44Å; N1219-Y1221 PolarHBondContact OD1-N 3.35Å; N1219-G1222 PolarHBondContact O-N 3.5Å; N1219-G1222 PolarHBondContact OD1-N 3.32Å |
| 1220 | L | 88.2 | Confident | 81.2 | Confident | 16 Ų | 16 | 21.4 Ų | 21.4 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -11.9 | -174.9 | -59.2 | 178.7 | 0 | 0 | 0 | 114.5 | R1197 Q1209 D1210 G1213 G1217 W1218 | R1197-L1220 PolarHBondContact NH1-O 2.79Å; R1197-L1220 VanDerWaalsContact NH1-O 3.08Å; Q1209-L1220 CarbonylContact C-O 3.59Å; Q1209-L1220 WeakPolarHBondContact CA-O 3.29Å; Q1209-L1220 HydrophobicContact CB-CB 3.95Å; Q1209-L1220 HydrophobicContact CB-CD1 4.45Å; Q1209-L1220 HydrophobicContact CG-CB 3.93Å; Q1209-L1220 HydrophobicContact CG-CD1 4.31Å; D1210-L1220 PolarHBondContact N-O 3.28Å; G1213-L1220 VanDerWaalsContact C-CD2 3.42Å; G1213-L1220 VanDerWaalsContact O-CD2 3.32Å; G1213-L1220 WeakPolarHBondContact O-CD2 3.14Å; G1217-L1220 WeakPolarHBondContact O-CD2 3.31Å; W1218-L1220 PolarHBondContact O-N 3.42Å |
| 1221 | Y | 91.3 | Very high | 80.8 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -3.8 | 176.6 | -59.7 | -86.4 | 0 | 0 | 0 | 112.9 | N916 R917 Y928 G932 R1205 Y1206 Q1209 N1219 | N916-Y1221 HydrophobicContact CB-CD2 4.16Å; R917-Y1221 HydrophobicContact CG-CE2 3.81Å; R917-Y1221 WeakPolarHBondContact CG-OH 3.47Å; Y928-Y1221 HydrophobicContact CD1-CE1 4.37Å; Y928-Y1221 HydrophobicContact CE1-CE1 4.02Å; G932-Y1221 WeakPolarHBondContact CA-OH 3.2Å; G932-Y1221 WeakPolarHBondContact O-CE1 3.46Å; G932-Y1221 PolarHBondContact O-OH 2.99Å; R1205-Y1221 WeakPolarHBondContact CB-O 3.4Å; R1205-Y1221 VanDerWaalsContact NH2-CB 3.29Å; Y1206-Y1221 PolarHBondContact N-O 3.38Å; Q1209-Y1221 HydrophobicContact CG-CD1 4.38Å; Q1209-Y1221 HydrophobicContact CG-CE1 3.77Å; Q1209-Y1221 HydrophobicContact CG-CE2 3.91Å; Q1209-Y1221 VanDerWaalsContact CG-CZ 3.49Å; Q1209-Y1221 PolarHBondContact NE2-OH 2.95Å; N1219-Y1221 PolarHBondContact O-N 3.44Å; N1219-Y1221 PolarHBondContact OD1-N 3.35Å |
| 1222 | G | 88.5 | Confident | 80.9 | Confident | 17 Ų | 17 | 21.2 Ų | 21.2 | 18% | 0.175 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -62.6 | 141 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1206 N1219 | Y1206-G1222 VanDerWaalsContact CD2-O 3.29Å; Y1206-G1222 WeakPolarHBondContact CD2-O 3.31Å; Y1206-G1222 WeakPolarHBondContact CE2-O 3.22Å; N1219-G1222 PolarHBondContact O-N 3.5Å; N1219-G1222 PolarHBondContact OD1-N 3.32Å |
| 1223 | Y | 88.4 | Confident | 81.6 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -96 | 172.1 | 150.5 | -172.8 | -99 | 0 | 0 | 0 | 108.1 | W1162 Y1199 G1204 Y1206 L1225 P1227 I1231 D1232 | W1162-Y1223 HydrophobicContact CZ3-CD1 4.45Å; Y1199-Y1223 AromaticContact CD2-CD2 3.95Å; Y1199-Y1223 HydrophobicContact CD2-CD2 3.95Å; Y1199-Y1223 HydrophobicContact CD2-CG 4.11Å; Y1199-Y1223 HydrophobicContact CE2-CD1 4.03Å; Y1199-Y1223 AromaticContact CE2-CD2 3.78Å; Y1199-Y1223 HydrophobicContact CE2-CD2 3.78Å; Y1199-Y1223 HydrophobicContact CE2-CE2 4.49Å; Y1199-Y1223 AromaticContact CE2-CG 3.52Å; Y1199-Y1223 HydrophobicContact CE2-CG 3.52Å; G1204-Y1223 WeakPolarHBondContact O-CB 3.39Å; Y1206-Y1223 AromaticContact CE2-CD2 3.98Å; Y1206-Y1223 HydrophobicContact CE2-CD2 3.98Å; Y1206-Y1223 AromaticContact CZ-CD2 3.84Å; Y1206-Y1223 WeakPolarHBondContact OH-CD2 3.37Å; Y1223-L1225 PolarHBondContact O-N 2.9Å; Y1223-P1227 HydrophobicContact CD1-CB 4.28Å; Y1223-P1227 HydrophobicContact CE1-CB 3.85Å; Y1223-I1231 WeakPolarHBondContact OH-CA 3.45Å; Y1223-D1232 HydrophobicContact CD2-CB 4.32Å; Y1223-D1232 HydrophobicContact CE2-CB 3.84Å |
| 1224 | Q | 85.5 | Confident | 81.9 | Confident | 48 Ų | 48 | 21 Ų | 21 | 22% | 0.224 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -53 | 127.2 | 176.5 | -58.4 | -66 | 11.1 | 0 | 0 | 111.8 | W1162 N1226 D1230 I1231 | W1162-Q1224 WeakPolarHBondContact CZ3-O 3.2Å; Q1224-N1226 PolarHBondContact O-N 2.73Å; Q1224-D1230 HydrophobicContact CB-CB 3.96Å; Q1224-D1230 HydrophobicContact CG-CB 3.81Å; Q1224-I1231 PolarHBondContact NE2-O 2.84Å |
| 1225 | L | 87.5 | Confident | 82.5 | Confident | 47 Ų | 47 | 19.2 Ų | 19.2 | 25% | 0.246 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -78.9 | -4.5 | -179.5 | -57.2 | 179.2 | 0 | 0 | 0 | 113 | R873 L874 G896 Y1223 | R873-L1225 HydrophobicContact CB-CB 4.24Å; R873-L1225 HydrophobicContact CG-CB 3.93Å; R873-L1225 HydrophobicContact CG-CD1 3.84Å; L874-L1225 PolarHBondContact N-O 3.47Å; G896-L1225 WeakPolarHBondContact O-CD2 3.11Å; Y1223-L1225 PolarHBondContact O-N 2.9Å |
| 1226 | N | 87.2 | Confident | 83.4 | Confident | 17 Ų | 17 | 17.4 Ų | 17.4 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | trans | -124.5 | 70.2 | 166.4 | -176.9 | 4 | 0 | 0 | 0 | 109.6 | Y868 Q1224 I1228 S1229 D1230 | Y868-N1226 WeakPolarHBondContact CE1-OD1 3.42Å; Y868-N1226 PolarHBondContact OH-OD1 3.36Å; Q1224-N1226 PolarHBondContact O-N 2.73Å; N1226-I1228 PolarHBondContact O-N 3.14Å; N1226-S1229 WeakPolarHBondContact ND2-CB 3.45Å; N1226-S1229 PolarHBondContact ND2-OG 2.99Å; N1226-S1229 VanDerWaalsContact ND2-OG 3.14Å; N1226-S1229 PolarHBondContact O-N 3.02Å; N1226-S1229 VanDerWaalsContact O-N 3.07Å; N1226-S1229 PolarHBondContact OD1-N 3.49Å; N1226-S1229 PolarHBondContact OD1-OG 3.03Å; N1226-D1230 PolarHBondContact O-N 3.46Å | ||
| 1227 | P | 87.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -0.6 | -174.9 | 35.3 | -42.4 | 0 | 0 | 0 | 113.5 | L874 R1140 E1161 W1162 Y1223 | L874-P1227 HydrophobicContact CD2-CG 4.41Å; R1140-P1227 WeakPolarHBondContact CD-O 3.46Å; R1140-P1227 PolarHBondContact NH1-O 3Å; E1161-P1227 HydrophobicContact CB-CG 4.42Å; E1161-P1227 WeakPolarHBondContact O-CB 3.36Å; W1162-P1227 HydrophobicContact CD2-CB 4.37Å; W1162-P1227 HydrophobicContact CD2-CG 3.72Å; W1162-P1227 HydrophobicContact CE3-CB 3.97Å; W1162-P1227 HydrophobicContact CE3-CG 3.68Å; W1162-P1227 HydrophobicContact CG-CG 4.44Å; W1162-P1227 HydrophobicContact CH2-CG 4.02Å; W1162-P1227 HydrophobicContact CZ2-CG 4.07Å; W1162-P1227 HydrophobicContact CZ3-CB 4.22Å; W1162-P1227 HydrophobicContact CZ3-CG 3.83Å; Y1223-P1227 HydrophobicContact CD1-CB 4.28Å; Y1223-P1227 HydrophobicContact CE1-CB 3.85Å |
| 1228 | I | 87.8 | Confident | 82.1 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -26.8 | 176 | -73.4 | -55.3 | 0 | 0 | 0 | 112.1 | L854 Y866 H1139 E1161 N1226 | L854-I1228 HydrophobicContact CB-CG2 4.19Å; L854-I1228 HydrophobicContact CD2-CG2 3.71Å; L854-I1228 HydrophobicContact CG-CG2 4.25Å; Y866-I1228 HydrophobicContact CD1-CG1 4.24Å; Y866-I1228 HydrophobicContact CD2-CG2 4.38Å; Y866-I1228 HydrophobicContact CE1-CD1 4.11Å; Y866-I1228 HydrophobicContact CE1-CG1 3.86Å; Y866-I1228 HydrophobicContact CE2-CG2 4.18Å; H1139-I1228 PolarHBondContact NE2-O 2.8Å; E1161-I1228 HydrophobicContact CB-CD1 3.99Å; E1161-I1228 HydrophobicContact CB-CG1 4.17Å; E1161-I1228 HydrophobicContact CG-CD1 3.76Å; E1161-I1228 HydrophobicContact CG-CG1 3.86Å; N1226-I1228 PolarHBondContact O-N 3.14Å |
| 1229 | S | 79.2 | Confident | 79.9 | Confident | 41 Ų | 41 | 19.5 Ų | 19.5 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -31.6 | 179.9 | -48.1 | 0 | 0 | 0 | 0 | 112.4 | N1226 | N1226-S1229 WeakPolarHBondContact ND2-CB 3.45Å; N1226-S1229 PolarHBondContact ND2-OG 2.99Å; N1226-S1229 VanDerWaalsContact ND2-OG 3.14Å; N1226-S1229 PolarHBondContact O-N 3.02Å; N1226-S1229 VanDerWaalsContact O-N 3.07Å; N1226-S1229 PolarHBondContact OD1-N 3.49Å; N1226-S1229 PolarHBondContact OD1-OG 3.03Å |
| 1230 | D | 77.9 | Confident | 77.3 | Confident | 42 Ų | 42 | 19.5 Ų | 19.5 | 23% | 0.225 | 11% | 0.106 | C | C | . | . | trans | -117.2 | 147.6 | -171.9 | -54.3 | -63.8 | 0 | 0 | 0 | 111.8 | Q1224 N1226 R1308 | Q1224-D1230 HydrophobicContact CB-CB 3.96Å; Q1224-D1230 HydrophobicContact CG-CB 3.81Å; N1226-D1230 PolarHBondContact O-N 3.46Å; D1230-R1308 IonicContact OD1-NH2 3.75Å | ||
| 1231 | I | 79.5 | Confident | 74.6 | Confident | 27 Ų | 27 | 23 Ų | 23 | 14% | 0.138 | 13% | 0.125 | C | C | . | . | trans | -132.7 | 168.6 | -176.7 | 56 | 175.2 | 0 | 0 | 0 | 110.8 | R1140 P1181 Y1223 Q1224 P1233 | R1140-I1231 HydrophobicContact CB-CG2 4.23Å; P1181-I1231 HydrophobicContact CB-CD1 4.18Å; P1181-I1231 HydrophobicContact CG-CD1 3.86Å; Y1223-I1231 WeakPolarHBondContact OH-CA 3.45Å; Q1224-I1231 PolarHBondContact NE2-O 2.84Å; I1231-P1233 HydrophobicContact CD1-CG 3.92Å; I1231-P1233 HydrophobicContact CG1-CG 4.16Å | ||
| 1232 | D | 85.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -139.7 | 89.6 | 172.7 | 177.2 | 6.4 | 0 | 0 | 0 | 109.7 | N1194 R1197 Y1206 Y1223 G1235 L1236 S1237 | N1194-D1232 PolarHBondContact ND2-O 3.15Å; R1197-D1232 IonicContact NH2-OD2 3.52Å; Y1206-D1232 WeakPolarHBondContact CE2-OD2 3.03Å; Y1206-D1232 VanDerWaalsContact OH-CG 3.23Å; Y1206-D1232 PolarHBondContact OH-OD2 3.21Å; Y1223-D1232 HydrophobicContact CD2-CB 4.32Å; Y1223-D1232 HydrophobicContact CE2-CB 3.84Å; D1232-G1235 VanDerWaalsContact OD1-CA 3.3Å; D1232-G1235 WeakPolarHBondContact OD1-CA 3.43Å; D1232-G1235 PolarHBondContact OD1-N 3.36Å; D1232-G1235 VanDerWaalsContact OD2-C 3.24Å; D1232-G1235 WeakPolarHBondContact OD2-CA 3.16Å; D1232-L1236 PolarHBondContact OD1-N 3.35Å; D1232-L1236 PolarHBondContact OD2-N 2.91Å; D1232-S1237 VanDerWaalsContact CG-N 3.28Å; D1232-S1237 PolarHBondContact OD1-N 3.1Å; D1232-S1237 VanDerWaalsContact OD1-N 3.11Å; D1232-S1237 PolarHBondContact OD2-N 3.19Å | ||
| 1233 | P | 83.7 | Confident | 68.6 | Low | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -78.9 | -12.7 | -171.7 | -19.6 | 35.4 | 0 | 0 | 0 | 116.4 | F1042 P1181 G1182 N1194 I1231 C1284 | F1042-P1233 HydrophobicContact CB-CB 3.89Å; F1042-P1233 HydrophobicContact CD1-CB 4.24Å; F1042-P1233 HydrophobicContact CD2-CB 3.45Å; F1042-P1233 VanDerWaalsContact CD2-CB 3.45Å; F1042-P1233 HydrophobicContact CD2-CG 4.33Å; F1042-P1233 HydrophobicContact CE2-CB 3.98Å; F1042-P1233 HydrophobicContact CG-CB 3.6Å; P1181-P1233 HydrophobicContact CB-CB 4.35Å; P1181-P1233 HydrophobicContact CB-CG 4.27Å; P1181-P1233 WeakPolarHBondContact O-CA 3.32Å; G1182-P1233 VanDerWaalsContact CA-O 3.28Å; G1182-P1233 WeakPolarHBondContact CA-O 3.19Å; N1194-P1233 PolarHBondContact OD1-O 3.32Å; I1231-P1233 HydrophobicContact CD1-CG 3.92Å; I1231-P1233 HydrophobicContact CG1-CG 4.16Å; P1233-C1284 HydrophobicContact CB-CB 4.24Å; P1233-C1284 HydrophobicContact CG-CB 3.84Å |
| 1234 | L | 85 | Confident | 65.6 | Low | 11 Ų | 11 | 27 Ų | 27 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -104.2 | -13.6 | 174.4 | -73.3 | 171.8 | 0 | 0 | 0 | 112.4 | D1021 F1042 N1194 R1195 H1196 L1236 C1284 I1374 | D1021-L1234 HydrophobicContact CB-CD2 3.76Å; F1042-L1234 HydrophobicContact CZ-CD2 3.87Å; F1042-L1234 HydrophobicContact CZ-CG 4.38Å; N1194-L1234 VanDerWaalsContact O-O 3.09Å; R1195-L1234 HydrophobicContact CB-CD2 4.36Å; R1195-L1234 WeakPolarHBondContact CB-O 3.39Å; R1195-L1234 HydrophobicContact CG-CD2 3.86Å; H1196-L1234 PolarHBondContact CD2-O 2.99Å; H1196-L1234 VanDerWaalsContact CD2-O 3.29Å; H1196-L1234 PolarHBondContact N-O 3.42Å; H1196-L1234 VanDerWaalsContact N-O 3.16Å; L1234-L1236 VanDerWaalsContact C-N 3.29Å; L1234-L1236 HydrophobicContact CB-CB 4.18Å; L1234-L1236 HydrophobicContact CB-CD1 4.38Å; L1234-L1236 HydrophobicContact CB-CG 4.17Å; L1234-C1284 WeakPolarHBondContact CD1-SG 3.18Å; L1234-C1284 WeakPolarHBondContact CG-SG 3.47Å; L1234-I1374 HydrophobicContact CD1-CD1 4.2Å; L1234-I1374 HydrophobicContact CD2-CD1 3.95Å |
| 1235 | G | 85.9 | Confident | 62.7 | Low | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 72.4 | 28.2 | -164 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1194 R1197 Y1206 D1232 | N1194-G1235 PolarHBondContact ND2-N 2.8Å; R1197-G1235 PolarHBondContact NE-O 3.4Å; R1197-G1235 PolarHBondContact NH2-O 2.97Å; Y1206-G1235 WeakPolarHBondContact OH-CA 3.5Å; D1232-G1235 VanDerWaalsContact OD1-CA 3.3Å; D1232-G1235 WeakPolarHBondContact OD1-CA 3.43Å; D1232-G1235 PolarHBondContact OD1-N 3.36Å; D1232-G1235 VanDerWaalsContact OD2-C 3.24Å; D1232-G1235 WeakPolarHBondContact OD2-CA 3.16Å |
| 1236 | L | 79.6 | Confident | 59.8 | Low | 15 Ų | 15 | 24.8 Ų | 24.8 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | trans | -139.7 | 44.2 | -177.4 | -57.5 | -179.5 | 0 | 0 | 0 | 110 | H1196 P1211 I1212 D1232 L1234 M1238 | H1196-L1236 HydrophobicContact CB-CD2 3.65Å; H1196-L1236 HydrophobicContact CB-CG 4.01Å; H1196-L1236 VanDerWaalsContact CD2-CD1 3.43Å; H1196-L1236 WeakPolarHBondContact CD2-CD1 3.33Å; P1211-L1236 HydrophobicContact CB-CD2 4.13Å; P1211-L1236 HydrophobicContact CG-CD2 3.85Å; I1212-L1236 HydrophobicContact CG2-CB 4.31Å; I1212-L1236 HydrophobicContact CG2-CD1 4.24Å; I1212-L1236 HydrophobicContact CG2-CD2 3.85Å; I1212-L1236 HydrophobicContact CG2-CG 4.36Å; D1232-L1236 PolarHBondContact OD1-N 3.35Å; D1232-L1236 PolarHBondContact OD2-N 2.91Å; L1234-L1236 VanDerWaalsContact C-N 3.29Å; L1234-L1236 HydrophobicContact CB-CB 4.18Å; L1234-L1236 HydrophobicContact CB-CD1 4.38Å; L1234-L1236 HydrophobicContact CB-CG 4.17Å; L1236-M1238 PolarHBondContact O-N 2.96Å | ||
| 1237 | S | 62.6 | Low | 57 | Low | 19 Ų | 19 | 25.9 Ų | 25.9 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | trans | -57.7 | 102.5 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | G1216 D1232 | G1216-S1237 CarbonylContact C-O 3.55Å; G1216-S1237 WeakPolarHBondContact CA-O 3.2Å; D1232-S1237 VanDerWaalsContact CG-N 3.28Å; D1232-S1237 PolarHBondContact OD1-N 3.1Å; D1232-S1237 VanDerWaalsContact OD1-N 3.11Å; D1232-S1237 PolarHBondContact OD2-N 3.19Å | ||
| 1238 | M | 44.8 | Very low | 54.2 | Low | 33 Ų | 33 | 31 Ų | 31 | 16% | 0.163 | 18% | 0.18 | C | C | . | . | trans | -58.3 | 148.4 | 173.3 | -77.8 | -175.9 | -116.4 | 0 | 0 | 109.6 | I1212 K1215 L1236 E1240 K1277 Q1281 | I1212-M1238 HydrophobicContact CD1-CB 4.44Å; I1212-M1238 HydrophobicContact CD1-CG 3.53Å; K1215-M1238 HydrophobicContact CG-CG 4.29Å; K1215-M1238 CarbonylContact O-C 3.53Å; K1215-M1238 VanDerWaalsContact O-CA 3.31Å; K1215-M1238 WeakPolarHBondContact O-CA 3.5Å; L1236-M1238 PolarHBondContact O-N 2.96Å; M1238-E1240 PolarHBondContact O-N 2.97Å; M1238-K1277 VanDerWaalsContact CE-O 3.23Å; M1238-K1277 WeakPolarHBondContact CE-O 3.11Å; M1238-Q1281 VanDerWaalsContact CB-NE2 3.33Å; M1238-Q1281 HydrophobicContact CE-CG 3.92Å; M1238-Q1281 HydrophobicContact SD-CG 4.4Å; M1238-Q1281 PolarHBondContact SD-NE2 2.89Å; M1238-Q1281 VanDerWaalsContact SD-NE2 3.43Å | ||
| 1239 | W | 36.5 | Very low | 51.2 | Low | 33 Ų | 33 | 32.9 Ų | 32.9 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | trans | -66 | 81.2 | 164.3 | -171.1 | -42.1 | 0 | 0 | 0 | 107.9 | K1215 W1218 D1241 A1242 | K1215-W1239 PolarHBondContact O-N 3.02Å; W1218-W1239 HydrophobicContact CB-CH2 4.47Å; W1218-W1239 HydrophobicContact CB-CZ3 3.78Å; W1218-W1239 AromaticContact CD1-CE3 3.76Å; W1218-W1239 AromaticContact CD1-CH2 3.77Å; W1218-W1239 AromaticContact CD1-CZ3 3.09Å; W1218-W1239 AromaticContact CD2-CH2 3.85Å; W1218-W1239 HydrophobicContact CD2-CH2 3.85Å; W1218-W1239 AromaticContact CD2-CZ3 3.87Å; W1218-W1239 HydrophobicContact CD2-CZ3 3.87Å; W1218-W1239 AromaticContact CE2-CH2 3.81Å; W1218-W1239 AromaticContact CE2-CZ3 3.97Å; W1218-W1239 HydrophobicContact CG-CE3 4.33Å; W1218-W1239 AromaticContact CG-CH2 3.81Å; W1218-W1239 HydrophobicContact CG-CH2 3.81Å; W1218-W1239 AromaticContact CG-CZ3 3.31Å; W1218-W1239 HydrophobicContact CG-CZ3 3.31Å; W1218-W1239 VanDerWaalsContact N-CZ3 3.35Å; W1218-W1239 AromaticContact NE1-CH2 3.71Å; W1218-W1239 AromaticContact NE1-CZ3 3.46Å; W1239-D1241 PolarHBondContact NE1-O 3.01Å; W1239-D1241 VanDerWaalsContact NE1-O 3.12Å; W1239-A1242 VanDerWaalsContact CD1-CB 3.43Å; W1239-A1242 HydrophobicContact CG-CB 4.39Å; W1239-A1242 VanDerWaalsContact NE1-N 3.19Å | ||
| 1240 | E | 31.5 | Very low | 49.2 | Very low | 23 Ų | 23 | 31.1 Ų | 31.1 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -35.7 | 166.5 | -81.8 | -145.1 | -151 | 0 | 0 | 110.6 | M1238 A1242 K1243 S1244 A1246 Q1281 F1289 | M1238-E1240 PolarHBondContact O-N 2.97Å; E1240-A1242 PolarHBondContact O-N 2.9Å; E1240-K1243 PolarHBondContact O-N 3.05Å; E1240-S1244 WeakPolarHBondContact CA-OG 3.44Å; E1240-S1244 WeakPolarHBondContact CB-OG 3.22Å; E1240-S1244 WeakPolarHBondContact O-CA 3.47Å; E1240-S1244 PolarHBondContact O-N 2.97Å; E1240-S1244 PolarHBondContact O-OG 3.17Å; E1240-S1244 VanDerWaalsContact O-OG 3.12Å; E1240-S1244 VanDerWaalsContact OE2-CB 3.32Å; E1240-S1244 WeakPolarHBondContact OE2-CB 3.15Å; E1240-S1244 PolarHBondContact OE2-OG 3.14Å; E1240-A1246 WeakPolarHBondContact OE2-CB 3.27Å; E1240-Q1281 PolarHBondContact OE1-OE1 3Å; E1240-F1289 WeakPolarHBondContact OE1-CZ 3.33Å |
| 1241 | D | 31.5 | Very low | 47 | Very low | 90 Ų | 90 | 29.7 Ų | 29.7 | 48% | 0.481 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.6 | 14.3 | -179.4 | -55.4 | -5.8 | 0 | 0 | 0 | 116.9 | W1239 C1247 C1252 | W1239-D1241 PolarHBondContact NE1-O 3.01Å; W1239-D1241 VanDerWaalsContact NE1-O 3.12Å; D1241-C1247 PolarHBondContact OD1-SG 3.32Å; D1241-C1252 WeakPolarHBondContact O-CA 3.42Å; D1241-C1252 WeakPolarHBondContact O-CB 3.37Å |
| 1242 | A | 26.5 | Very low | 44.8 | Very low | 10 Ų | 10 | 28.6 Ų | 28.6 | 8% | 0.083 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -157.1 | -26.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | W1239 E1240 L1255 S1256 | W1239-A1242 VanDerWaalsContact CD1-CB 3.43Å; W1239-A1242 HydrophobicContact CG-CB 4.39Å; W1239-A1242 VanDerWaalsContact NE1-N 3.19Å; E1240-A1242 PolarHBondContact O-N 2.9Å; A1242-L1255 HydrophobicContact CB-CB 4.22Å; A1242-S1256 WeakPolarHBondContact O-CA 3.19Å; A1242-S1256 WeakPolarHBondContact O-CB 3.49Å; A1242-S1256 PolarHBondContact O-OG 2.81Å |
| 1243 | K | 25.8 | Very low | 42.1 | Very low | 99 Ų | 99 | 30 Ų | 30 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -107.3 | -22.9 | 174.2 | -70.3 | -160.8 | 175.9 | -167.6 | 0 | 114.5 | E1240 D1262 A1305 P1306 | E1240-K1243 PolarHBondContact O-N 3.05Å; K1243-D1262 IonicContact NZ-OD1 2.79Å; K1243-D1262 IonicContact NZ-OD2 3.5Å; K1243-D1262 PolarHBondContact NZ-OD2 2.9Å; K1243-A1305 WeakPolarHBondContact O-CA 3.38Å; K1243-A1305 WeakPolarHBondContact O-CB 3.48Å; K1243-P1306 WeakPolarHBondContact O-CD 3.35Å |
| 1244 | S | 26.1 | Very low | 39.6 | Very low | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -37.9 | -176.8 | 89 | 0 | 0 | 0 | 0 | 114.9 | E1240 A1246 A1305 P1306 | E1240-S1244 WeakPolarHBondContact CA-OG 3.44Å; E1240-S1244 WeakPolarHBondContact CB-OG 3.22Å; E1240-S1244 WeakPolarHBondContact O-CA 3.47Å; E1240-S1244 PolarHBondContact O-N 2.97Å; E1240-S1244 PolarHBondContact O-OG 3.17Å; E1240-S1244 VanDerWaalsContact O-OG 3.12Å; E1240-S1244 VanDerWaalsContact OE2-CB 3.32Å; E1240-S1244 WeakPolarHBondContact OE2-CB 3.15Å; E1240-S1244 PolarHBondContact OE2-OG 3.14Å; S1244-A1246 PolarHBondContact O-N 3.38Å; S1244-A1246 WeakPolarHBondContact OG-CB 3.33Å; S1244-A1246 PolarHBondContact OG-N 3.34Å; S1244-A1305 VanDerWaalsContact C-CB 3.46Å; S1244-A1305 CarbonylContact O-C 3.55Å; S1244-A1305 VanDerWaalsContact O-C 3.24Å; S1244-A1305 VanDerWaalsContact O-CB 3.24Å; S1244-A1305 WeakPolarHBondContact O-CB 3.14Å; S1244-P1306 CarbonylContact O-C 3.56Å; S1244-P1306 VanDerWaalsContact O-C 3.25Å; S1244-P1306 WeakPolarHBondContact O-CD 3.26Å; S1244-P1306 WeakPolarHBondContact O-CG 3.39Å |
| 1245 | G | 25.2 | Very low | 37 | Very low | 27 Ų | 27 | 29.4 Ų | 29.4 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | trans | 70.6 | 7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1247 | G1245-C1247 PolarHBondContact O-N 2.86Š| ||
| 1246 | A | 25.3 | Very low | 34.3 | Very low | 21 Ų | 21 | 30.8 Ų | 30.8 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | trans | -60.7 | -20.5 | 166 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1240 S1244 T1248 R1308 | E1240-A1246 WeakPolarHBondContact OE2-CB 3.27Å; S1244-A1246 PolarHBondContact O-N 3.38Å; S1244-A1246 WeakPolarHBondContact OG-CB 3.33Å; S1244-A1246 PolarHBondContact OG-N 3.34Å; A1246-T1248 PolarHBondContact O-N 2.86Å; A1246-T1248 VanDerWaalsContact O-N 3.08Å; A1246-R1308 HydrophobicContact CB-CB 3.51Å; A1246-R1308 HydrophobicContact CB-CG 4.15Å | ||
| 1247 | C | 30 | Very low | 31.9 | Very low | 41 Ų | 41 | 32.9 Ų | 32.9 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | trans | -73.3 | 97.1 | 173.7 | -55 | 0 | 0 | 0 | 0 | 110.2 | D1241 G1245 N1249 C1252 | D1241-C1247 PolarHBondContact OD1-SG 3.32Å; G1245-C1247 PolarHBondContact O-N 2.86Å; C1247-N1249 PolarHBondContact O-N 2.87Å; C1247-N1249 VanDerWaalsContact O-N 3.09Å; C1247-C1252 HydrophobicContact CB-CB 3.4Å; C1247-C1252 VanDerWaalsContact CB-CB 3.4Å | ||
| 1248 | T | 28 | Very low | 30.4 | Very low | 108 Ų | 108 | 32.1 Ų | 32.1 | 66% | 0.663 | 20% | 0.2 | S | C | * | . | trans | -60.2 | -13.6 | 170.1 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | A1246 | A1246-T1248 PolarHBondContact O-N 2.86Å; A1246-T1248 VanDerWaalsContact O-N 3.08Å | ||
| 1249 | N | 25.7 | Very low | 29.8 | Very low | 41 Ų | 41 | 34.5 Ų | 34.5 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -122.3 | 127.5 | -177.7 | -71.8 | -34.5 | 0 | 0 | 0 | 113.8 | T581 A596 P597 N851 C1247 L1251 | T581-N1249 PolarHBondContact OG1-OD1 2.77Å; A596-N1249 HydrophobicContact CB-CB 4.16Å; P597-N1249 WeakPolarHBondContact CD-OD1 3.43Å; N851-N1249 PolarHBondContact O-ND2 3.25Å; C1247-N1249 PolarHBondContact O-N 2.87Å; C1247-N1249 VanDerWaalsContact O-N 3.09Å; N1249-L1251 PolarHBondContact O-N 2.73Å |
| 1250 | G | 37.3 | Very low | 29.7 | Very low | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -105.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | V594 N602 | V594-G1250 WeakPolarHBondContact CB-O 3.08Å; V594-G1250 WeakPolarHBondContact CG2-O 3.2Å; N602-G1250 WeakPolarHBondContact ND2-CA 2.97Å |
| 1251 | L | 31.4 | Very low | 30.1 | Very low | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -30.1 | -160.4 | -154 | 78.5 | 0 | 0 | 0 | 114.4 | N602 T615 T616 Q617 N1249 T1254 | N602-L1251 HydrophobicContact CB-CB 4.33Å; N602-L1251 HydrophobicContact CB-CD1 3.68Å; N602-L1251 PolarHBondContact ND2-N 3.24Å; T615-L1251 HydrophobicContact CG2-CD1 3.48Å; T615-L1251 VanDerWaalsContact CG2-CD1 3.48Å; T615-L1251 HydrophobicContact CG2-CD2 3.65Å; T615-L1251 HydrophobicContact CG2-CG 3.44Å; T615-L1251 VanDerWaalsContact CG2-CG 3.44Å; T616-L1251 VanDerWaalsContact C-CD1 3.47Å; T616-L1251 WeakPolarHBondContact O-CD1 3.47Å; Q617-L1251 HydrophobicContact CB-CB 4.28Å; Q617-L1251 HydrophobicContact CB-CD1 3.49Å; Q617-L1251 VanDerWaalsContact CB-CD1 3.49Å; Q617-L1251 HydrophobicContact CB-CD2 3.77Å; Q617-L1251 HydrophobicContact CB-CG 4Å; Q617-L1251 HydrophobicContact CG-CB 4.02Å; Q617-L1251 HydrophobicContact CG-CD1 3.96Å; Q617-L1251 HydrophobicContact CG-CD2 4.37Å; Q617-L1251 HydrophobicContact CG-CG 4.3Å; N1249-L1251 PolarHBondContact O-N 2.73Å; L1251-T1254 PolarHBondContact O-N 2.78Å; L1251-T1254 PolarHBondContact O-OG1 3.36Å |
| 1252 | C | 33 | Very low | 30.8 | Very low | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | -172.7 | 172 | 0 | 0 | 0 | 0 | 113.2 | D1241 C1247 T1254 L1255 S1256 | D1241-C1252 WeakPolarHBondContact O-CA 3.42Å; D1241-C1252 WeakPolarHBondContact O-CB 3.37Å; C1247-C1252 HydrophobicContact CB-CB 3.4Å; C1247-C1252 VanDerWaalsContact CB-CB 3.4Å; C1252-T1254 PolarHBondContact O-N 3Å; C1252-T1254 VanDerWaalsContact O-N 3.15Å; C1252-L1255 PolarHBondContact O-N 3.16Å; C1252-S1256 PolarHBondContact O-N 3.24Å; C1252-S1256 VanDerWaalsContact O-N 3.1Å |
| 1253 | G | 28.7 | Very low | 32.1 | Very low | 35 Ų | 35 | 37.1 Ų | 37.1 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -28.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1254 | T | 32.1 | Very low | 33.3 | Very low | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.3 | -43.7 | 176.6 | 11.5 | 0 | 0 | 0 | 0 | 113.8 | L591 T604 L1251 C1252 A1257 M1258 | L591-T1254 HydrophobicContact CB-CG2 4.4Å; L591-T1254 HydrophobicContact CD2-CG2 4.02Å; L591-T1254 HydrophobicContact CG-CG2 3.91Å; L591-T1254 WeakPolarHBondContact O-CG2 3.13Å; T604-T1254 VanDerWaalsContact CB-CG2 3.49Å; T604-T1254 HydrophobicContact CG2-CG2 4.37Å; T604-T1254 WeakPolarHBondContact OG1-CB 3.4Å; T604-T1254 WeakPolarHBondContact OG1-CG2 3.14Å; T604-T1254 PolarHBondContact OG1-OG1 3.13Å; L1251-T1254 PolarHBondContact O-N 2.78Å; L1251-T1254 PolarHBondContact O-OG1 3.36Å; C1252-T1254 PolarHBondContact O-N 3Å; C1252-T1254 VanDerWaalsContact O-N 3.15Å; T1254-A1257 PolarHBondContact O-N 3.43Å; T1254-M1258 VanDerWaalsContact O-CG 3.29Å; T1254-M1258 WeakPolarHBondContact O-CG 3.19Å |
| 1255 | L | 29.8 | Very low | 34.2 | Very low | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.8 | -33.4 | -179.2 | -89.1 | 169.6 | 0 | 0 | 0 | 113.1 | A612 T615 M624 A1242 C1252 A1257 M1258 I1259 | A612-L1255 HydrophobicContact CB-CD2 3.99Å; T615-L1255 HydrophobicContact CG2-CD1 3.74Å; T615-L1255 HydrophobicContact CG2-CD2 4.49Å; T615-L1255 HydrophobicContact CG2-CG 3.77Å; T615-L1255 VanDerWaalsContact OG1-CD2 3.25Å; T615-L1255 WeakPolarHBondContact OG1-CD2 3.4Å; T615-L1255 WeakPolarHBondContact OG1-CG 3.39Å; M624-L1255 HydrophobicContact CE-CD2 3.3Å; M624-L1255 HydrophobicContact SD-CD2 4.27Å; A1242-L1255 HydrophobicContact CB-CB 4.22Å; C1252-L1255 PolarHBondContact O-N 3.16Å; L1255-A1257 VanDerWaalsContact C-N 3.26Å; L1255-A1257 PolarHBondContact O-N 2.72Å; L1255-M1258 WeakPolarHBondContact O-CB 3.31Å; L1255-M1258 PolarHBondContact O-N 2.71Å; L1255-M1258 VanDerWaalsContact O-N 3.13Å; L1255-I1259 PolarHBondContact O-N 2.97Å |
| 1256 | S | 29.6 | Very low | 35.2 | Very low | 29 Ų | 29 | 32.9 Ų | 32.9 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -36 | 173.8 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | A1242 C1252 M1258 | A1242-S1256 WeakPolarHBondContact O-CA 3.19Å; A1242-S1256 WeakPolarHBondContact O-CB 3.49Å; A1242-S1256 PolarHBondContact O-OG 2.81Å; C1252-S1256 PolarHBondContact O-N 3.24Å; C1252-S1256 VanDerWaalsContact O-N 3.1Å; S1256-M1258 PolarHBondContact O-N 2.69Å |
| 1257 | A | 28.6 | Very low | 36.5 | Very low | 58 Ų | 58 | 32.1 Ų | 32.1 | 48% | 0.479 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.5 | -7.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1254 L1255 | T1254-A1257 PolarHBondContact O-N 3.43Å; L1255-A1257 VanDerWaalsContact C-N 3.26Å; L1255-A1257 PolarHBondContact O-N 2.72Å |
| 1258 | M | 30.2 | Very low | 37.1 | Very low | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -126.7 | -36.8 | -156.1 | -87.3 | 173.5 | 136.2 | 0 | 0 | 116.7 | T604 Q605 Y606 A612 T1254 L1255 S1256 | T604-M1258 HydrophobicContact CG2-CE 3.34Å; T604-M1258 HydrophobicContact CG2-SD 3.2Å; T604-M1258 WeakPolarHBondContact CG2-SD 3.12Å; Q605-M1258 VanDerWaalsContact C-CE 3.41Å; Q605-M1258 WeakPolarHBondContact O-CE 3.37Å; Y606-M1258 HydrophobicContact CD1-CE 3.5Å; Y606-M1258 VanDerWaalsContact CD1-CE 3.5Å; Y606-M1258 HydrophobicContact CD1-CG 3.75Å; Y606-M1258 HydrophobicContact CD1-SD 4.43Å; Y606-M1258 HydrophobicContact CD2-CE 3.36Å; Y606-M1258 HydrophobicContact CE1-CB 4.36Å; Y606-M1258 HydrophobicContact CE1-CE 3.4Å; Y606-M1258 HydrophobicContact CE1-CG 3.04Å; Y606-M1258 HydrophobicContact CE1-SD 3.86Å; Y606-M1258 HydrophobicContact CE2-CE 3.22Å; Y606-M1258 HydrophobicContact CE2-CG 4.44Å; Y606-M1258 HydrophobicContact CE2-SD 4.24Å; Y606-M1258 HydrophobicContact CG-CE 3.46Å; Y606-M1258 VanDerWaalsContact CG-CE 3.46Å; Y606-M1258 VanDerWaalsContact CZ-CG 3.42Å; A612-M1258 HydrophobicContact CB-CB 3.4Å; A612-M1258 HydrophobicContact CB-CE 4.08Å; A612-M1258 HydrophobicContact CB-CG 3.86Å; A612-M1258 HydrophobicContact CB-SD 3.5Å; A612-M1258 WeakPolarHBondContact CB-SD 3.26Å; A612-M1258 PolarHBondContact N-O 2.28Å; T1254-M1258 VanDerWaalsContact O-CG 3.29Å; T1254-M1258 WeakPolarHBondContact O-CG 3.19Å; L1255-M1258 WeakPolarHBondContact O-CB 3.31Å; L1255-M1258 PolarHBondContact O-N 2.71Å; L1255-M1258 VanDerWaalsContact O-N 3.13Å; S1256-M1258 PolarHBondContact O-N 2.69Å |
| 1259 | I | 32.2 | Very low | 37.9 | Very low | 83 Ų | 83 | 26.7 Ų | 26.7 | 43% | 0.426 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.3 | -24.4 | 171 | -61.7 | 176.8 | 0 | 0 | 0 | 108.8 | M624 L1255 | M624-I1259 HydrophobicContact CE-CD1 4.28Å; L1255-I1259 PolarHBondContact O-N 2.97Å |
| 1260 | G | 35 | Very low | 39.3 | Very low | 26 Ų | 26 | 24.7 Ų | 24.7 | 27% | 0.268 | 16% | 0.156 | S | C | . | . | trans | 79.9 | 128.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1261 | P | 41 | Very low | 39.9 | Very low | 35 Ų | 35 | 25 Ų | 25 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | trans | -57.4 | 149.3 | 158 | 24.6 | -32 | 0 | 0 | 0 | 109.1 | K1263 F1302 S1303 | P1261-K1263 WeakPolarHBondContact O-CG 3.49Å; P1261-K1263 PolarHBondContact O-N 2.71Å; P1261-F1302 HydrophobicContact CB-CB 4.07Å; P1261-F1302 HydrophobicContact CB-CD2 4.04Å; P1261-F1302 HydrophobicContact CB-CG 4.45Å; P1261-F1302 HydrophobicContact CG-CB 3.77Å; P1261-F1302 HydrophobicContact CG-CD2 3.11Å; P1261-F1302 HydrophobicContact CG-CE2 3.81Å; P1261-F1302 HydrophobicContact CG-CG 3.65Å; P1261-S1303 WeakPolarHBondContact CB-O 3.28Å | ||
| 1262 | D | 46 | Very low | 40.7 | Very low | 59 Ų | 59 | 26.6 Ų | 26.6 | 32% | 0.316 | 16% | 0.163 | S | C | . | . | trans | -58.2 | 130.7 | -176.7 | -56.4 | -62.5 | 0 | 0 | 0 | 108.8 | K1243 F1264 K1277 | K1243-D1262 IonicContact NZ-OD1 2.79Å; K1243-D1262 IonicContact NZ-OD2 3.5Å; K1243-D1262 PolarHBondContact NZ-OD2 2.9Å; D1262-F1264 HydrophobicContact CB-CE2 3.74Å; D1262-F1264 HydrophobicContact CB-CZ 3.74Å; D1262-F1264 VanDerWaalsContact O-CD2 3.22Å; D1262-F1264 WeakPolarHBondContact O-CD2 3.28Å; D1262-F1264 WeakPolarHBondContact O-CE2 3.31Å; D1262-K1277 IonicContact OD2-NZ 3.51Å; D1262-K1277 PolarHBondContact OD2-NZ 2.8Å | ||
| 1263 | K | 54.1 | Low | 41.7 | Very low | 91 Ų | 91 | 26.5 Ų | 26.5 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | trans | -102.6 | 101.5 | -168.2 | -70.8 | -167.2 | 177.4 | -168.4 | 0 | 110.7 | P1261 D1296 R1300 Y1301 F1302 | P1261-K1263 WeakPolarHBondContact O-CG 3.49Å; P1261-K1263 PolarHBondContact O-N 2.71Å; K1263-D1296 WeakPolarHBondContact CD-OD2 3.32Å; K1263-D1296 VanDerWaalsContact CE-OD2 3.24Å; K1263-D1296 WeakPolarHBondContact CE-OD2 3.42Å; K1263-D1296 IonicContact NZ-OD2 3.68Å; K1263-D1296 PolarHBondContact NZ-OD2 2.92Å; K1263-R1300 HydrophobicContact CB-CB 4.34Å; K1263-Y1301 CarbonylContact C-O 3.57Å; K1263-Y1301 WeakPolarHBondContact CA-O 3.33Å; K1263-F1302 HydrophobicContact CG-CB 4.43Å | ||
| 1264 | F | 50.2 | Low | 43.1 | Very low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -82.8 | 148.7 | 177 | -61.6 | -77.5 | 0 | 0 | 0 | 110.8 | Y4 D1262 S1266 S1269 T1270 D1273 R1300 Y1301 T1379 | Y4-F1264 HydrophobicContact CE2-CB 4.05Å; Y4-F1264 HydrophobicContact CE2-CD1 4.27Å; D1262-F1264 HydrophobicContact CB-CE2 3.74Å; D1262-F1264 HydrophobicContact CB-CZ 3.74Å; D1262-F1264 VanDerWaalsContact O-CD2 3.22Å; D1262-F1264 WeakPolarHBondContact O-CD2 3.28Å; D1262-F1264 WeakPolarHBondContact O-CE2 3.31Å; F1264-S1266 WeakPolarHBondContact CB-O 3.44Å; F1264-S1269 WeakPolarHBondContact CB-OG 3.23Å; F1264-S1269 VanDerWaalsContact CD1-OG 3.32Å; F1264-S1269 WeakPolarHBondContact CD1-OG 3.28Å; F1264-S1269 WeakPolarHBondContact CG-OG 3.07Å; F1264-T1270 VanDerWaalsContact CB-OG1 3.31Å; F1264-T1270 WeakPolarHBondContact CB-OG1 3.17Å; F1264-T1270 HydrophobicContact CD2-CG2 4Å; F1264-T1270 WeakPolarHBondContact CD2-OG1 3.07Å; F1264-D1273 HydrophobicContact CD1-CB 4.46Å; F1264-D1273 HydrophobicContact CD2-CB 4.47Å; F1264-D1273 HydrophobicContact CE1-CB 3.66Å; F1264-D1273 HydrophobicContact CE2-CB 3.67Å; F1264-D1273 VanDerWaalsContact CE2-CG 3.49Å; F1264-D1273 VanDerWaalsContact CE2-OD2 3.24Å; F1264-D1273 WeakPolarHBondContact CE2-OD2 2.88Å; F1264-D1273 HydrophobicContact CZ-CB 3.26Å; F1264-D1273 WeakPolarHBondContact CZ-OD1 3.35Å; F1264-D1273 WeakPolarHBondContact CZ-OD2 3.41Å; F1264-R1300 WeakPolarHBondContact O-CB 3.49Å; F1264-Y1301 PolarHBondContact N-O 3.33Å; F1264-Y1301 PolarHBondContact O-N 3.03Å; F1264-T1379 HydrophobicContact CD1-CG2 4.03Å; F1264-T1379 HydrophobicContact CE1-CG2 3.77Å |
| 1265 | D | 45.6 | Very low | 44 | Very low | 35 Ų | 35 | 27.7 Ų | 27.7 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -71.3 | -27.7 | 161.5 | -58.2 | -72 | 0 | 0 | 0 | 111 | Q3 Y4 R1300 Y1301 | Q3-D1265 CarbonylContact C-O 3.58Å; Q3-D1265 WeakPolarHBondContact CB-O 3.36Å; Q3-D1265 HydrophobicContact CG-CB 3.98Å; Q3-D1265 WeakPolarHBondContact CG-O 3.41Å; Q3-D1265 VanDerWaalsContact NE2-CB 3.27Å; Q3-D1265 PolarHBondContact NE2-O 3.17Å; Q3-D1265 PolarHBondContact NE2-OD1 2.69Å; Q3-D1265 VanDerWaalsContact NE2-OD1 3.1Å; Q3-D1265 CarbonylContact O-C 3.56Å; Q3-D1265 WeakPolarHBondContact O-CB 3.34Å; Q3-D1265 VanDerWaalsContact O-O 3.07Å; Q3-D1265 PolarHBondContact OE1-O 3.01Å; Y4-D1265 HydrophobicContact CD1-CB 3.92Å; Y4-D1265 HydrophobicContact CD2-CB 4.23Å; Y4-D1265 HydrophobicContact CE1-CB 3.43Å; Y4-D1265 VanDerWaalsContact CE1-CB 3.43Å; Y4-D1265 WeakPolarHBondContact CE1-OD2 3.43Å; Y4-D1265 HydrophobicContact CE2-CB 3.83Å; Y4-D1265 HydrophobicContact CG-CB 4.27Å; Y4-D1265 VanDerWaalsContact CZ-OD2 3.24Å; Y4-D1265 PolarHBondContact OH-N 3.15Å; Y4-D1265 PolarHBondContact OH-OD2 2.81Å; D1265-R1300 IonicContact OD1-NE 3.33Å; D1265-Y1301 WeakPolarHBondContact O-CD2 3.31Å |
| 1266 | S | 46.6 | Very low | 45 | Very low | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -109.8 | 150 | 171.3 | 72.2 | 0 | 0 | 0 | 0 | 117.1 | Q3 F1264 D1268 S1269 T1270 | Q3-S1266 PolarHBondContact O-N 3.34Å; F1264-S1266 WeakPolarHBondContact CB-O 3.44Å; S1266-D1268 WeakPolarHBondContact CB-OD2 3.23Å; S1266-D1268 PolarHBondContact O-N 3.32Å; S1266-D1268 PolarHBondContact OG-N 3Å; S1266-D1268 PolarHBondContact OG-OD2 2.75Å; S1266-S1269 PolarHBondContact O-OG 3.4Å; S1266-S1269 VanDerWaalsContact O-OG 3.08Å; S1266-S1269 WeakPolarHBondContact OG-CB 3.42Å; S1266-S1269 PolarHBondContact OG-N 2.78Å; S1266-S1269 PolarHBondContact OG-OG 2.86Å; S1266-T1270 WeakPolarHBondContact O-CB 3.41Å; S1266-T1270 PolarHBondContact O-N 2.82Å; S1266-T1270 PolarHBondContact O-OG1 2.81Å | ||
| 1267 | I | 51.3 | Low | 46.2 | Very low | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -33.2 | 161.7 | -49.6 | 166.6 | 0 | 0 | 0 | 109.8 | M1 T1270 A1271 I1293 Y1301 V1328 | M1-I1267 HydrophobicContact CB-CB 4.18Å; M1-I1267 HydrophobicContact CB-CG2 4.32Å; M1-I1267 HydrophobicContact CE-CG2 3.83Å; M1-I1267 HydrophobicContact CG-CB 3.24Å; M1-I1267 HydrophobicContact CG-CD1 4.41Å; M1-I1267 HydrophobicContact CG-CG1 4.35Å; M1-I1267 HydrophobicContact CG-CG2 3.21Å; M1-I1267 HydrophobicContact SD-CB 4.26Å; M1-I1267 HydrophobicContact SD-CG2 3.83Å; I1267-T1270 CarbonylContact O-C 3.57Å; I1267-T1270 VanDerWaalsContact O-CB 3.3Å; I1267-T1270 WeakPolarHBondContact O-CB 3.39Å; I1267-T1270 PolarHBondContact O-N 3.03Å; I1267-A1271 WeakPolarHBondContact O-CB 3.39Å; I1267-A1271 PolarHBondContact O-N 3.31Å; I1267-I1293 HydrophobicContact CB-CG2 4.24Å; I1267-I1293 HydrophobicContact CG1-CG2 4.46Å; I1267-I1293 HydrophobicContact CG2-CB 3.73Å; I1267-I1293 HydrophobicContact CG2-CD1 3.53Å; I1267-I1293 HydrophobicContact CG2-CG1 4.21Å; I1267-I1293 HydrophobicContact CG2-CG2 3.49Å; I1267-I1293 VanDerWaalsContact CG2-CG2 3.49Å; I1267-I1293 WeakPolarHBondContact O-CD1 3.31Å; I1267-Y1301 HydrophobicContact CB-CD1 4.27Å; I1267-Y1301 HydrophobicContact CB-CG 4.25Å; I1267-Y1301 HydrophobicContact CD1-CD1 3.92Å; I1267-Y1301 HydrophobicContact CD1-CE1 3.43Å; I1267-Y1301 VanDerWaalsContact CD1-CE1 3.43Å; I1267-Y1301 HydrophobicContact CG1-CD1 3.1Å; I1267-Y1301 HydrophobicContact CG1-CD2 3.91Å; I1267-Y1301 HydrophobicContact CG1-CE1 3.13Å; I1267-Y1301 HydrophobicContact CG1-CE2 3.99Å; I1267-Y1301 HydrophobicContact CG1-CG 3.43Å; I1267-Y1301 VanDerWaalsContact CG1-CG 3.43Å; I1267-V1328 HydrophobicContact CD1-CB 3.68Å; I1267-V1328 HydrophobicContact CD1-CG2 3.62Å; I1267-V1328 HydrophobicContact CG1-CB 4.41Å; I1267-V1328 HydrophobicContact CG1-CG2 3.79Å; I1267-V1328 HydrophobicContact CG2-CG2 4.43Å |
| 1268 | D | 43.4 | Very low | 47.4 | Very low | 20 Ų | 20 | 25.3 Ų | 25.3 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.4 | -46.2 | -178.2 | -41.6 | -76.2 | 0 | 0 | 0 | 113.2 | M1 T2 S1266 T1270 A1271 Y1272 I1355 | M1-D1268 VanDerWaalsContact C-OD2 3.31Å; M1-D1268 WeakPolarHBondContact CB-OD1 3.49Å; M1-D1268 HydrophobicContact CG-CB 4.4Å; M1-D1268 WeakPolarHBondContact CG-OD1 3.37Å; M1-D1268 VanDerWaalsContact O-CG 3.29Å; M1-D1268 VanDerWaalsContact SD-CA 3.56Å; M1-D1268 HydrophobicContact SD-CB 4.25Å; M1-D1268 VanDerWaalsContact SD-OD1 3.34Å; T2-D1268 WeakPolarHBondContact CA-OD2 3.36Å; S1266-D1268 WeakPolarHBondContact CB-OD2 3.23Å; S1266-D1268 PolarHBondContact O-N 3.32Å; S1266-D1268 PolarHBondContact OG-N 3Å; S1266-D1268 PolarHBondContact OG-OD2 2.75Å; D1268-T1270 PolarHBondContact O-N 2.73Å; D1268-A1271 WeakPolarHBondContact O-CB 3.45Å; D1268-A1271 PolarHBondContact O-N 3.01Å; D1268-Y1272 VanDerWaalsContact O-CB 3.28Å; D1268-Y1272 WeakPolarHBondContact O-CB 3.31Å; D1268-Y1272 PolarHBondContact O-N 3.43Å; D1268-I1355 HydrophobicContact CB-CD1 3.77Å; D1268-I1355 HydrophobicContact CB-CG1 3.88Å; D1268-I1355 WeakPolarHBondContact OD1-CD1 3.21Å |
| 1269 | S | 45.3 | Very low | 48.2 | Very low | 15 Ų | 15 | 27.8 Ų | 27.8 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.1 | -26.6 | 173.2 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | Y4 F1264 S1266 D1273 | Y4-S1269 WeakPolarHBondContact CD2-OG 3.29Å; Y4-S1269 VanDerWaalsContact CE2-OG 3.29Å; Y4-S1269 WeakPolarHBondContact CE2-OG 3.49Å; F1264-S1269 WeakPolarHBondContact CB-OG 3.23Å; F1264-S1269 VanDerWaalsContact CD1-OG 3.32Å; F1264-S1269 WeakPolarHBondContact CD1-OG 3.28Å; F1264-S1269 WeakPolarHBondContact CG-OG 3.07Å; S1266-S1269 PolarHBondContact O-OG 3.4Å; S1266-S1269 VanDerWaalsContact O-OG 3.08Å; S1266-S1269 WeakPolarHBondContact OG-CB 3.42Å; S1266-S1269 PolarHBondContact OG-N 2.78Å; S1266-S1269 PolarHBondContact OG-OG 2.86Å; S1269-D1273 WeakPolarHBondContact O-CA 3.39Å; S1269-D1273 WeakPolarHBondContact O-CB 3.36Å; S1269-D1273 PolarHBondContact O-N 3.04Å |
| 1270 | T | 53.8 | Low | 48.7 | Very low | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -41.9 | 169.2 | -54.8 | 0 | 0 | 0 | 0 | 111 | F1264 S1266 I1267 D1268 A1274 I1293 Y1301 | F1264-T1270 VanDerWaalsContact CB-OG1 3.31Å; F1264-T1270 WeakPolarHBondContact CB-OG1 3.17Å; F1264-T1270 HydrophobicContact CD2-CG2 4Å; F1264-T1270 WeakPolarHBondContact CD2-OG1 3.07Å; S1266-T1270 WeakPolarHBondContact O-CB 3.41Å; S1266-T1270 PolarHBondContact O-N 2.82Å; S1266-T1270 PolarHBondContact O-OG1 2.81Å; I1267-T1270 CarbonylContact O-C 3.57Å; I1267-T1270 VanDerWaalsContact O-CB 3.3Å; I1267-T1270 WeakPolarHBondContact O-CB 3.39Å; I1267-T1270 PolarHBondContact O-N 3.03Å; D1268-T1270 PolarHBondContact O-N 2.73Å; T1270-A1274 WeakPolarHBondContact O-CA 2.75Å; T1270-A1274 WeakPolarHBondContact O-CB 2.65Å; T1270-A1274 PolarHBondContact O-N 3.19Å; T1270-I1293 HydrophobicContact CG2-CB 4.33Å; T1270-I1293 HydrophobicContact CG2-CD1 4.23Å; T1270-I1293 HydrophobicContact CG2-CG1 4.02Å; T1270-I1293 HydrophobicContact CG2-CG2 3.5Å; T1270-Y1301 VanDerWaalsContact OG1-CB 3.28Å; T1270-Y1301 WeakPolarHBondContact OG1-CB 3.46Å; T1270-Y1301 PolarHBondContact OG1-O 2.83Å |
| 1271 | A | 50.6 | Low | 49.3 | Very low | 8 Ų | 8 | 24.1 Ų | 24.1 | 7% | 0.066 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.9 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1 I1267 D1268 A1274 L1275 I1293 | M1-A1271 HydrophobicContact CE-CB 4Å; M1-A1271 HydrophobicContact SD-CB 3.79Å; I1267-A1271 WeakPolarHBondContact O-CB 3.39Å; I1267-A1271 PolarHBondContact O-N 3.31Å; D1268-A1271 WeakPolarHBondContact O-CB 3.45Å; D1268-A1271 PolarHBondContact O-N 3.01Å; A1271-A1274 PolarHBondContact O-N 2.78Å; A1271-L1275 VanDerWaalsContact O-CB 3.25Å; A1271-L1275 WeakPolarHBondContact O-CB 2.87Å; A1271-L1275 WeakPolarHBondContact O-CD1 3.31Å; A1271-L1275 WeakPolarHBondContact O-CG 3.45Å; A1271-L1275 PolarHBondContact O-N 3.32Å; A1271-I1293 HydrophobicContact CB-CD1 3.52Å |
| 1272 | Y | 48.4 | Very low | 49.6 | Very low | 46 Ų | 46 | 22.4 Ų | 22.4 | 18% | 0.18 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.6 | -66.3 | 172.7 | -173.1 | -121.8 | 0 | 0 | 0 | 109.7 | D1268 A1274 L1275 N1276 N1359 | D1268-Y1272 VanDerWaalsContact O-CB 3.28Å; D1268-Y1272 WeakPolarHBondContact O-CB 3.31Å; D1268-Y1272 PolarHBondContact O-N 3.43Å; Y1272-A1274 CarbonylContact O-C 3.57Å; Y1272-A1274 PolarHBondContact O-N 3.24Å; Y1272-L1275 CarbonylContact O-C 3.55Å; Y1272-L1275 WeakPolarHBondContact O-CA 3.27Å; Y1272-L1275 WeakPolarHBondContact O-CB 3.39Å; Y1272-L1275 PolarHBondContact O-N 2.86Å; Y1272-N1276 WeakPolarHBondContact CD1-ND2 3.37Å; Y1272-N1276 WeakPolarHBondContact CD2-OD1 3.05Å; Y1272-N1276 WeakPolarHBondContact CE1-ND2 3.1Å; Y1272-N1276 VanDerWaalsContact CE2-OD1 3.24Å; Y1272-N1276 WeakPolarHBondContact CE2-OD1 3.38Å; Y1272-N1276 WeakPolarHBondContact O-CB 3.47Å; Y1272-N1276 PolarHBondContact O-N 2.93Å; Y1272-N1276 PolarHBondContact O-ND2 3.35Å; Y1272-N1276 PolarHBondContact O-OD1 3.39Å; Y1272-N1359 VanDerWaalsContact CD2-ND2 3.32Å; Y1272-N1359 WeakPolarHBondContact CD2-ND2 3.23Å; Y1272-N1359 VanDerWaalsContact CE2-ND2 3.29Å; Y1272-N1359 WeakPolarHBondContact CE2-ND2 3.41Å |
| 1273 | D | 54.4 | Low | 49.3 | Very low | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -49.9 | -36.9 | 176.7 | 174.5 | 82.8 | 0 | 0 | 0 | 114.8 | F1264 S1269 N1276 K1277 | F1264-D1273 HydrophobicContact CD1-CB 4.46Å; F1264-D1273 HydrophobicContact CD2-CB 4.47Å; F1264-D1273 HydrophobicContact CE1-CB 3.66Å; F1264-D1273 HydrophobicContact CE2-CB 3.67Å; F1264-D1273 VanDerWaalsContact CE2-CG 3.49Å; F1264-D1273 VanDerWaalsContact CE2-OD2 3.24Å; F1264-D1273 WeakPolarHBondContact CE2-OD2 2.88Å; F1264-D1273 HydrophobicContact CZ-CB 3.26Å; F1264-D1273 WeakPolarHBondContact CZ-OD1 3.35Å; F1264-D1273 WeakPolarHBondContact CZ-OD2 3.41Å; S1269-D1273 WeakPolarHBondContact O-CA 3.39Å; S1269-D1273 WeakPolarHBondContact O-CB 3.36Å; S1269-D1273 PolarHBondContact O-N 3.04Å; D1273-N1276 WeakPolarHBondContact O-CB 3.35Å; D1273-K1277 WeakPolarHBondContact O-CD 3.47Å; D1273-K1277 VanDerWaalsContact O-CG 3.29Å; D1273-K1277 WeakPolarHBondContact O-CG 3.09Å; D1273-K1277 PolarHBondContact O-N 3.44Å; D1273-K1277 WeakPolarHBondContact OD1-CE 3.17Å; D1273-K1277 IonicContact OD1-NZ 2.8Å; D1273-K1277 PolarHBondContact OD1-NZ 2.95Å; D1273-K1277 WeakPolarHBondContact OD2-CE 3.2Å; D1273-K1277 IonicContact OD2-NZ 2.74Å; D1273-K1277 PolarHBondContact OD2-NZ 3.06Å |
| 1274 | A | 56.2 | Low | 48.6 | Very low | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -59.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1270 A1271 Y1272 N1276 K1277 I1278 Y1331 | T1270-A1274 WeakPolarHBondContact O-CA 2.75Å; T1270-A1274 WeakPolarHBondContact O-CB 2.65Å; T1270-A1274 PolarHBondContact O-N 3.19Å; A1271-A1274 PolarHBondContact O-N 2.78Å; Y1272-A1274 CarbonylContact O-C 3.57Å; Y1272-A1274 PolarHBondContact O-N 3.24Å; A1274-N1276 VanDerWaalsContact C-N 3.29Å; A1274-N1276 PolarHBondContact O-N 3.18Å; A1274-K1277 PolarHBondContact O-N 3.02Å; A1274-I1278 WeakPolarHBondContact O-CG1 3.26Å; A1274-I1278 PolarHBondContact O-N 3.38Å; A1274-Y1331 HydrophobicContact CB-CD1 3.49Å; A1274-Y1331 VanDerWaalsContact CB-CD1 3.49Å; A1274-Y1331 HydrophobicContact CB-CD2 3.61Å; A1274-Y1331 HydrophobicContact CB-CE1 3.52Å; A1274-Y1331 HydrophobicContact CB-CE2 3.66Å; A1274-Y1331 HydrophobicContact CB-CG 3.53Å |
| 1275 | L | 52.5 | Low | 48.3 | Very low | 58 Ų | 58 | 20.1 Ų | 20.1 | 30% | 0.304 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -48.8 | -50.2 | 175.5 | -71.8 | 165.8 | 0 | 0 | 0 | 110.9 | A1271 Y1272 K1277 I1278 N1279 H1332 T1333 | A1271-L1275 VanDerWaalsContact O-CB 3.25Å; A1271-L1275 WeakPolarHBondContact O-CB 2.87Å; A1271-L1275 WeakPolarHBondContact O-CD1 3.31Å; A1271-L1275 WeakPolarHBondContact O-CG 3.45Å; A1271-L1275 PolarHBondContact O-N 3.32Å; Y1272-L1275 CarbonylContact O-C 3.55Å; Y1272-L1275 WeakPolarHBondContact O-CA 3.27Å; Y1272-L1275 WeakPolarHBondContact O-CB 3.39Å; Y1272-L1275 PolarHBondContact O-N 2.86Å; L1275-K1277 VanDerWaalsContact C-N 3.25Å; L1275-K1277 PolarHBondContact O-N 3.09Å; L1275-I1278 HydrophobicContact CD2-CD1 4.45Å; L1275-I1278 CarbonylContact O-C 3.52Å; L1275-I1278 WeakPolarHBondContact O-CG1 3.16Å; L1275-I1278 PolarHBondContact O-N 2.82Å; L1275-N1279 WeakPolarHBondContact O-CB 3.49Å; L1275-N1279 PolarHBondContact O-N 3.42Å; L1275-H1332 WeakPolarHBondContact CD2-O 3.34Å; L1275-T1333 HydrophobicContact CD2-CG2 4.43Å |
| 1276 | N | 51.1 | Low | 48.4 | Very low | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -48.4 | -42.2 | 175.2 | -68.2 | 6 | 0 | 0 | 0 | 113.9 | Y1272 D1273 A1274 E1376 L1377 | Y1272-N1276 WeakPolarHBondContact CD1-ND2 3.37Å; Y1272-N1276 WeakPolarHBondContact CD2-OD1 3.05Å; Y1272-N1276 WeakPolarHBondContact CE1-ND2 3.1Å; Y1272-N1276 VanDerWaalsContact CE2-OD1 3.24Å; Y1272-N1276 WeakPolarHBondContact CE2-OD1 3.38Å; Y1272-N1276 WeakPolarHBondContact O-CB 3.47Å; Y1272-N1276 PolarHBondContact O-N 2.93Å; Y1272-N1276 PolarHBondContact O-ND2 3.35Å; Y1272-N1276 PolarHBondContact O-OD1 3.39Å; D1273-N1276 WeakPolarHBondContact O-CB 3.35Å; A1274-N1276 VanDerWaalsContact C-N 3.29Å; A1274-N1276 PolarHBondContact O-N 3.18Å; N1276-E1376 HydrophobicContact CB-CB 3.47Å; N1276-E1376 VanDerWaalsContact CB-CB 3.47Å; N1276-E1376 HydrophobicContact CB-CG 4.44Å; N1276-E1376 WeakPolarHBondContact CB-O 3.15Å; N1276-E1376 WeakPolarHBondContact ND2-CB 3.32Å; N1276-E1376 WeakPolarHBondContact OD1-CB 3.09Å; N1276-E1376 VanDerWaalsContact OD1-CD 3.23Å; N1276-E1376 PolarHBondContact OD1-OE1 2.88Å; N1276-L1377 PolarHBondContact ND2-N 3.29Å |
| 1277 | K | 53.7 | Low | 48.5 | Very low | 33 Ų | 33 | 21.1 Ų | 21.1 | 14% | 0.143 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -80.2 | -18.2 | -179.4 | -73.5 | 166.1 | -177.3 | 158.7 | 0 | 113.6 | M1238 D1262 D1273 A1274 L1275 Q1281 | M1238-K1277 VanDerWaalsContact CE-O 3.23Å; M1238-K1277 WeakPolarHBondContact CE-O 3.11Å; D1262-K1277 IonicContact OD2-NZ 3.51Å; D1262-K1277 PolarHBondContact OD2-NZ 2.8Å; D1273-K1277 WeakPolarHBondContact O-CD 3.47Å; D1273-K1277 VanDerWaalsContact O-CG 3.29Å; D1273-K1277 WeakPolarHBondContact O-CG 3.09Å; D1273-K1277 PolarHBondContact O-N 3.44Å; D1273-K1277 WeakPolarHBondContact OD1-CE 3.17Å; D1273-K1277 IonicContact OD1-NZ 2.8Å; D1273-K1277 PolarHBondContact OD1-NZ 2.95Å; D1273-K1277 WeakPolarHBondContact OD2-CE 3.2Å; D1273-K1277 IonicContact OD2-NZ 2.74Å; D1273-K1277 PolarHBondContact OD2-NZ 3.06Å; A1274-K1277 PolarHBondContact O-N 3.02Å; L1275-K1277 VanDerWaalsContact C-N 3.25Å; L1275-K1277 PolarHBondContact O-N 3.09Å; K1277-Q1281 PolarHBondContact O-NE2 2.65Å |
| 1278 | I | 54.7 | Low | 48.5 | Very low | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -118.7 | -18.3 | -170.1 | 62.3 | -176.2 | 0 | 0 | 0 | 113.4 | A1274 L1275 Q1281 S1282 F1289 P1306 Y1331 T1333 | A1274-I1278 WeakPolarHBondContact O-CG1 3.26Å; A1274-I1278 PolarHBondContact O-N 3.38Å; L1275-I1278 HydrophobicContact CD2-CD1 4.45Å; L1275-I1278 CarbonylContact O-C 3.52Å; L1275-I1278 WeakPolarHBondContact O-CG1 3.16Å; L1275-I1278 PolarHBondContact O-N 2.82Å; I1278-Q1281 CarbonylContact O-C 3.58Å; I1278-Q1281 WeakPolarHBondContact O-CA 3.26Å; I1278-Q1281 WeakPolarHBondContact O-CB 3.14Å; I1278-Q1281 PolarHBondContact O-N 2.9Å; I1278-Q1281 VanDerWaalsContact O-N 3.11Å; I1278-S1282 VanDerWaalsContact O-CB 3.27Å; I1278-S1282 WeakPolarHBondContact O-CB 3.31Å; I1278-S1282 PolarHBondContact O-N 2.87Å; I1278-F1289 HydrophobicContact CB-CB 4.03Å; I1278-F1289 HydrophobicContact CB-CG 4.27Å; I1278-F1289 HydrophobicContact CD1-CB 4.09Å; I1278-F1289 HydrophobicContact CG1-CB 4.43Å; I1278-F1289 HydrophobicContact CG2-CB 4.46Å; I1278-P1306 HydrophobicContact CG2-CB 3.9Å; I1278-P1306 HydrophobicContact CG2-CG 3.57Å; I1278-Y1331 HydrophobicContact CD1-CD2 3.44Å; I1278-Y1331 VanDerWaalsContact CD1-CD2 3.44Å; I1278-Y1331 HydrophobicContact CD1-CE2 3.35Å; I1278-T1333 HydrophobicContact CB-CG2 4.03Å; I1278-T1333 HydrophobicContact CD1-CG2 3.54Å; I1278-T1333 HydrophobicContact CG1-CG2 3.28Å |
| 1279 | N | 45.3 | Very low | 49.1 | Very low | 55 Ų | 55 | 20.5 Ų | 20.5 | 29% | 0.294 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63.8 | -47.8 | -178.2 | -169.5 | 16.6 | 0 | 0 | 0 | 109.2 | L1275 Q1281 S1282 I1283 E1376 | L1275-N1279 WeakPolarHBondContact O-CB 3.49Å; L1275-N1279 PolarHBondContact O-N 3.42Å; N1279-Q1281 VanDerWaalsContact C-N 3.32Å; N1279-Q1281 PolarHBondContact O-N 2.96Å; N1279-S1282 WeakPolarHBondContact O-CB 3.43Å; N1279-S1282 PolarHBondContact O-N 2.82Å; N1279-I1283 WeakPolarHBondContact O-CB 3.25Å; N1279-I1283 WeakPolarHBondContact O-CD1 3.4Å; N1279-I1283 VanDerWaalsContact O-CG1 3.24Å; N1279-I1283 WeakPolarHBondContact O-CG1 3.34Å; N1279-I1283 PolarHBondContact O-N 3.03Å; N1279-I1283 WeakPolarHBondContact OD1-CD1 3.37Å; N1279-E1376 PolarHBondContact ND2-OE2 2.92Å |
| 1280 | S | 42.8 | Very low | 49.6 | Very low | 14 Ų | 14 | 19.8 Ų | 19.8 | 10% | 0.098 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.9 | -40.4 | 169.6 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | C1284 T1375 | S1280-C1284 VanDerWaalsContact O-CB 3.31Å; S1280-C1284 WeakPolarHBondContact O-CB 3.21Å; S1280-C1284 PolarHBondContact O-N 3.05Å; S1280-C1284 PolarHBondContact O-SG 2.96Å; S1280-T1375 PolarHBondContact OG-O 3.01Å |
| 1281 | Q | 48.4 | Very low | 49.9 | Very low | 18 Ų | 18 | 19.8 Ų | 19.8 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.7 | -44.1 | 175.3 | -62.1 | 171.6 | -9.5 | 0 | 0 | 111.5 | M1238 E1240 K1277 I1278 N1279 I1283 C1284 E1285 F1289 | M1238-Q1281 VanDerWaalsContact CB-NE2 3.33Å; M1238-Q1281 HydrophobicContact CE-CG 3.92Å; M1238-Q1281 HydrophobicContact SD-CG 4.4Å; M1238-Q1281 PolarHBondContact SD-NE2 2.89Å; M1238-Q1281 VanDerWaalsContact SD-NE2 3.43Å; E1240-Q1281 PolarHBondContact OE1-OE1 3Å; K1277-Q1281 PolarHBondContact O-NE2 2.65Å; I1278-Q1281 CarbonylContact O-C 3.58Å; I1278-Q1281 WeakPolarHBondContact O-CA 3.26Å; I1278-Q1281 WeakPolarHBondContact O-CB 3.14Å; I1278-Q1281 PolarHBondContact O-N 2.9Å; I1278-Q1281 VanDerWaalsContact O-N 3.11Å; N1279-Q1281 VanDerWaalsContact C-N 3.32Å; N1279-Q1281 PolarHBondContact O-N 2.96Å; Q1281-I1283 PolarHBondContact O-N 2.76Å; Q1281-C1284 WeakPolarHBondContact O-CB 3.38Å; Q1281-C1284 PolarHBondContact O-N 3.26Å; Q1281-C1284 VanDerWaalsContact O-N 3.16Å; Q1281-E1285 WeakPolarHBondContact O-CB 3.19Å; Q1281-E1285 WeakPolarHBondContact O-CG 3.35Å; Q1281-E1285 PolarHBondContact O-N 2.83Å; Q1281-F1289 HydrophobicContact CB-CD2 4.46Å; Q1281-F1289 HydrophobicContact CB-CE1 4.43Å; Q1281-F1289 HydrophobicContact CB-CE2 3.77Å; Q1281-F1289 HydrophobicContact CB-CZ 3.74Å |
| 1282 | S | 47.7 | Very low | 50.7 | Low | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | -178.9 | -167.6 | 0 | 0 | 0 | 0 | 112.6 | I1278 N1279 D1286 K1287 T1333 H1334 G1335 | I1278-S1282 VanDerWaalsContact O-CB 3.27Å; I1278-S1282 WeakPolarHBondContact O-CB 3.31Å; I1278-S1282 PolarHBondContact O-N 2.87Å; N1279-S1282 WeakPolarHBondContact O-CB 3.43Å; N1279-S1282 PolarHBondContact O-N 2.82Å; S1282-D1286 PolarHBondContact O-N 2.98Å; S1282-D1286 VanDerWaalsContact O-N 3.13Å; S1282-K1287 VanDerWaalsContact CA-O 3.25Å; S1282-K1287 WeakPolarHBondContact CA-O 3.47Å; S1282-K1287 VanDerWaalsContact CB-O 3.3Å; S1282-K1287 WeakPolarHBondContact CB-O 3.5Å; S1282-K1287 PolarHBondContact O-N 2.96Å; S1282-K1287 PolarHBondContact OG-O 2.91Å; S1282-T1333 WeakPolarHBondContact CB-OG1 3.32Å; S1282-T1333 VanDerWaalsContact OG-CB 3.25Å; S1282-T1333 WeakPolarHBondContact OG-CB 3.13Å; S1282-T1333 PolarHBondContact OG-OG1 3.2Å; S1282-H1334 PolarHBondContact OG-O 2.95Å; S1282-G1335 PolarHBondContact OG-N 2.75Å |
| 1283 | I | 38.6 | Very low | 51.3 | Low | 64 Ų | 64 | 17.6 Ų | 17.6 | 33% | 0.328 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -72.7 | -27.7 | 175.5 | -64.4 | 165.1 | 0 | 0 | 0 | 112 | G1040 N1279 Q1281 | G1040-I1283 CarbonylContact C-O 3.54Å; N1279-I1283 WeakPolarHBondContact O-CB 3.25Å; N1279-I1283 WeakPolarHBondContact O-CD1 3.4Å; N1279-I1283 VanDerWaalsContact O-CG1 3.24Å; N1279-I1283 WeakPolarHBondContact O-CG1 3.34Å; N1279-I1283 PolarHBondContact O-N 3.03Å; N1279-I1283 WeakPolarHBondContact OD1-CD1 3.37Å; Q1281-I1283 PolarHBondContact O-N 2.76Å |
| 1284 | C | 39.2 | Very low | 51.7 | Low | 11 Ų | 11 | 17.5 Ų | 17.5 | 7% | 0.074 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.6 | -53.7 | 173.2 | -78.9 | 0 | 0 | 0 | 0 | 112.2 | P1233 L1234 S1280 Q1281 | P1233-C1284 HydrophobicContact CB-CB 4.24Å; P1233-C1284 HydrophobicContact CG-CB 3.84Å; L1234-C1284 WeakPolarHBondContact CD1-SG 3.18Å; L1234-C1284 WeakPolarHBondContact CG-SG 3.47Å; S1280-C1284 VanDerWaalsContact O-CB 3.31Å; S1280-C1284 WeakPolarHBondContact O-CB 3.21Å; S1280-C1284 PolarHBondContact O-N 3.05Å; S1280-C1284 PolarHBondContact O-SG 2.96Å; Q1281-C1284 WeakPolarHBondContact O-CB 3.38Å; Q1281-C1284 PolarHBondContact O-N 3.26Å; Q1281-C1284 VanDerWaalsContact O-N 3.16Å |
| 1285 | E | 45.6 | Very low | 52.1 | Low | 26 Ų | 26 | 20 Ų | 20 | 12% | 0.121 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -91.1 | -10.5 | -163.9 | -61.8 | -150.3 | 132.8 | 0 | 0 | 114.5 | Q1281 K1287 R1308 | Q1281-E1285 WeakPolarHBondContact O-CB 3.19Å; Q1281-E1285 WeakPolarHBondContact O-CG 3.35Å; Q1281-E1285 PolarHBondContact O-N 2.83Å; E1285-K1287 HydrophobicContact CB-CB 4.22Å; E1285-K1287 HydrophobicContact CB-CD 4.13Å; E1285-K1287 HydrophobicContact CB-CG 4.14Å; E1285-K1287 WeakPolarHBondContact OE2-CD 3.32Å; E1285-K1287 IonicContact OE2-NZ 3.69Å; E1285-R1308 IonicContact OE1-CZ 3.98Å; E1285-R1308 IonicContact OE1-NE 3.32Å; E1285-R1308 IonicContact OE1-NH2 3.42Å; E1285-R1308 PolarHBondContact OE1-NH2 3.39Å; E1285-R1308 IonicContact OE2-CZ 2.85Å; E1285-R1308 IonicContact OE2-NE 3Å; E1285-R1308 PolarHBondContact OE2-NE 3.03Å; E1285-R1308 IonicContact OE2-NH2 3.19Å; E1285-R1308 PolarHBondContact OE2-NH2 2.86Å |
| 1286 | D | 46.7 | Very low | 52.5 | Low | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.043 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 53.5 | -167.4 | 178.2 | 24.7 | 0 | 0 | 0 | 111.4 | S1282 R1311 A1336 | S1282-D1286 PolarHBondContact O-N 2.98Å; S1282-D1286 VanDerWaalsContact O-N 3.13Å; D1286-R1311 VanDerWaalsContact O-CG 3.29Å; D1286-R1311 WeakPolarHBondContact O-CG 3.39Å; D1286-R1311 IonicContact OD2-CZ 3.71Å; D1286-R1311 IonicContact OD2-NE 3.71Å; D1286-R1311 PolarHBondContact OD2-NE 3.4Å; D1286-R1311 IonicContact OD2-NH2 3.87Å; D1286-R1311 PolarHBondContact OD2-NH2 2.83Å; D1286-A1336 HydrophobicContact CB-CB 4.39Å; D1286-A1336 WeakPolarHBondContact OD1-CB 3.21Å; D1286-A1336 PolarHBondContact OD1-N 3.47Å |
| 1287 | K | 49.7 | Very low | 52.5 | Low | 51 Ų | 51 | 22 Ų | 22 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | trans | -138.5 | 138.2 | -179.6 | -69.7 | 179.5 | -161.8 | 167.3 | 0 | 110 | S1282 E1285 F1289 R1308 G1309 | S1282-K1287 VanDerWaalsContact CA-O 3.25Å; S1282-K1287 WeakPolarHBondContact CA-O 3.47Å; S1282-K1287 VanDerWaalsContact CB-O 3.3Å; S1282-K1287 WeakPolarHBondContact CB-O 3.5Å; S1282-K1287 PolarHBondContact O-N 2.96Å; S1282-K1287 PolarHBondContact OG-O 2.91Å; E1285-K1287 HydrophobicContact CB-CB 4.22Å; E1285-K1287 HydrophobicContact CB-CD 4.13Å; E1285-K1287 HydrophobicContact CB-CG 4.14Å; E1285-K1287 WeakPolarHBondContact OE2-CD 3.32Å; E1285-K1287 IonicContact OE2-NZ 3.69Å; K1287-F1289 HydrophobicContact CB-CE2 4.04Å; K1287-F1289 WeakPolarHBondContact O-CD2 3.26Å; K1287-R1308 HydrophobicContact CB-CG 4.39Å; K1287-R1308 HydrophobicContact CD-CG 3.8Å; K1287-G1309 WeakPolarHBondContact CB-O 3.49Å; K1287-G1309 WeakPolarHBondContact CG-O 3.46Å | ||
| 1288 | E | 50.5 | Low | 52.1 | Low | 13 Ų | 13 | 22.6 Ų | 22.6 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | trans | -77.4 | 143.8 | 169.7 | -55 | 162.6 | 151 | 0 | 0 | 108.2 | G1309 K1312 G1313 S1314 S1338 | E1288-G1309 WeakPolarHBondContact O-CA 3.24Å; E1288-G1309 PolarHBondContact O-N 3.46Å; E1288-K1312 WeakPolarHBondContact OE2-CA 3.18Å; E1288-G1313 PolarHBondContact OE2-N 2.59Å; E1288-S1314 WeakPolarHBondContact CB-OG 3.41Å; E1288-S1314 WeakPolarHBondContact O-CB 3.46Å; E1288-S1338 WeakPolarHBondContact OE1-CB 3.46Å | ||
| 1289 | F | 55.8 | Low | 51.9 | Low | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.2 | 177.9 | -77.7 | -95.2 | 0 | 0 | 0 | 107.7 | E1240 I1278 Q1281 K1287 P1306 R1308 H1332 T1333 | E1240-F1289 WeakPolarHBondContact OE1-CZ 3.33Å; I1278-F1289 HydrophobicContact CB-CB 4.03Å; I1278-F1289 HydrophobicContact CB-CG 4.27Å; I1278-F1289 HydrophobicContact CD1-CB 4.09Å; I1278-F1289 HydrophobicContact CG1-CB 4.43Å; I1278-F1289 HydrophobicContact CG2-CB 4.46Å; Q1281-F1289 HydrophobicContact CB-CD2 4.46Å; Q1281-F1289 HydrophobicContact CB-CE1 4.43Å; Q1281-F1289 HydrophobicContact CB-CE2 3.77Å; Q1281-F1289 HydrophobicContact CB-CZ 3.74Å; K1287-F1289 HydrophobicContact CB-CE2 4.04Å; K1287-F1289 WeakPolarHBondContact O-CD2 3.26Å; F1289-P1306 HydrophobicContact CB-CB 4Å; F1289-P1306 HydrophobicContact CD1-CB 4.04Å; F1289-P1306 HydrophobicContact CD1-CG 4.17Å; F1289-R1308 HydrophobicContact CD1-CB 3.95Å; F1289-R1308 HydrophobicContact CD1-CG 4.39Å; F1289-R1308 HydrophobicContact CE1-CB 3.68Å; F1289-R1308 HydrophobicContact CE1-CG 3.77Å; F1289-R1308 HydrophobicContact CZ-CB 4.31Å; F1289-R1308 HydrophobicContact CZ-CG 3.88Å; F1289-H1332 CarbonylContact O-C 3.53Å; F1289-H1332 WeakPolarHBondContact O-CA 3.44Å; F1289-H1332 WeakPolarHBondContact O-CB 3.34Å; F1289-T1333 HydrophobicContact CB-CG2 4.31Å; F1289-T1333 PolarHBondContact N-OG1 2.67Å; F1289-T1333 PolarHBondContact O-N 2.94Å |
| 1290 | A | 54.9 | Low | 52.3 | Low | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 122 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | N1307 S1314 P1316 Y1331 H1332 | A1290-N1307 PolarHBondContact N-O 2.71Å; A1290-N1307 VanDerWaalsContact O-CB 3.32Å; A1290-N1307 WeakPolarHBondContact O-CB 2.9Å; A1290-N1307 PolarHBondContact O-N 2.73Å; A1290-N1307 PolarHBondContact O-ND2 2.8Å; A1290-S1314 WeakPolarHBondContact CB-O 3.49Å; A1290-P1316 HydrophobicContact CB-CB 4.01Å; A1290-P1316 HydrophobicContact CB-CG 4.43Å; A1290-Y1331 WeakPolarHBondContact CA-O 3.44Å; A1290-H1332 HydrophobicContact CB-CB 3.66Å |
| 1291 | G | 61.8 | Low | 53.1 | Low | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 167.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1330 Y1331 | G1291-A1330 VanDerWaalsContact O-CA 3.23Å; G1291-A1330 WeakPolarHBondContact O-CA 3.48Å; G1291-A1330 VanDerWaalsContact O-CB 3.32Å; G1291-A1330 WeakPolarHBondContact O-CB 3.27Å; G1291-Y1331 VanDerWaalsContact CA-CZ 3.41Å; G1291-Y1331 PolarHBondContact N-O 3.4Å; G1291-Y1331 PolarHBondContact O-N 3.03Å |
| 1292 | L | 66.3 | Low | 53.8 | Low | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 157.7 | 166.2 | -62.5 | -168.2 | 0 | 0 | 0 | 110.2 | S1303 T1304 P1316 S1319 K1327 A1330 Y1331 | L1292-S1303 WeakPolarHBondContact O-CA 3.12Å; L1292-T1304 HydrophobicContact CB-CG2 3.79Å; L1292-T1304 PolarHBondContact N-OG1 3.03Å; L1292-T1304 PolarHBondContact O-N 2.66Å; L1292-T1304 PolarHBondContact O-OG1 3.11Å; L1292-P1316 HydrophobicContact CD2-CB 4.28Å; L1292-P1316 WeakPolarHBondContact CD2-O 3.24Å; L1292-S1319 WeakPolarHBondContact CD1-O 2.96Å; L1292-S1319 WeakPolarHBondContact CG-O 3.31Å; L1292-K1327 HydrophobicContact CD1-CB 4.16Å; L1292-K1327 HydrophobicContact CD1-CD 3.8Å; L1292-K1327 HydrophobicContact CD1-CG 3.91Å; L1292-K1327 HydrophobicContact CD2-CD 3.64Å; L1292-K1327 HydrophobicContact CD2-CG 4.14Å; L1292-K1327 HydrophobicContact CG-CD 4.33Å; L1292-K1327 HydrophobicContact CG-CG 4.49Å; L1292-A1330 HydrophobicContact CD2-CB 4.47Å; L1292-Y1331 WeakPolarHBondContact O-CE1 3.39Å |
| 1293 | I | 62.1 | Low | 54.5 | Low | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127 | 157.6 | -53.5 | 172.9 | 0 | 0 | 0 | 107.6 | M1 I1267 T1270 A1271 V1328 S1329 Y1331 | M1-I1293 HydrophobicContact CE-CD1 4.08Å; I1267-I1293 HydrophobicContact CB-CG2 4.24Å; I1267-I1293 HydrophobicContact CG1-CG2 4.46Å; I1267-I1293 HydrophobicContact CG2-CB 3.73Å; I1267-I1293 HydrophobicContact CG2-CD1 3.53Å; I1267-I1293 HydrophobicContact CG2-CG1 4.21Å; I1267-I1293 HydrophobicContact CG2-CG2 3.49Å; I1267-I1293 VanDerWaalsContact CG2-CG2 3.49Å; I1267-I1293 WeakPolarHBondContact O-CD1 3.31Å; T1270-I1293 HydrophobicContact CG2-CB 4.33Å; T1270-I1293 HydrophobicContact CG2-CD1 4.23Å; T1270-I1293 HydrophobicContact CG2-CG1 4.02Å; T1270-I1293 HydrophobicContact CG2-CG2 3.5Å; A1271-I1293 HydrophobicContact CB-CD1 3.52Å; I1293-V1328 HydrophobicContact CG2-CG2 4.21Å; I1293-V1328 WeakPolarHBondContact O-CG2 3.07Å; I1293-V1328 PolarHBondContact O-N 3.13Å; I1293-S1329 PolarHBondContact N-O 3.05Å; I1293-S1329 PolarHBondContact O-N 2.93Å; I1293-Y1331 HydrophobicContact CD1-CD1 4.15Å; I1293-Y1331 HydrophobicContact CG1-CD1 3.68Å; I1293-Y1331 HydrophobicContact CG1-CE1 4.39Å |
| 1294 | C | 62.7 | Low | 55.5 | Low | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.4 | -175.7 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | Y1301 F1302 T1304 C1321 E1326 | C1294-Y1301 CarbonylContact O-C 3.47Å; C1294-Y1301 VanDerWaalsContact O-CA 3.29Å; C1294-Y1301 WeakPolarHBondContact O-CA 3.22Å; C1294-F1302 HydrophobicContact CB-CD1 4.35Å; C1294-F1302 HydrophobicContact CB-CD2 4.07Å; C1294-F1302 HydrophobicContact CB-CE1 3.74Å; C1294-F1302 HydrophobicContact CB-CE2 3.48Å; C1294-F1302 VanDerWaalsContact CB-CE2 3.48Å; C1294-F1302 HydrophobicContact CB-CZ 3.3Å; C1294-F1302 PolarHBondContact N-O 3.02Å; C1294-F1302 WeakPolarHBondContact O-CD1 3.43Å; C1294-F1302 PolarHBondContact O-N 2.78Å; C1294-T1304 WeakPolarHBondContact SG-CG2 3.42Å; C1294-C1321 HydrophobicContact CB-CB 3.79Å; C1294-C1321 WeakPolarHBondContact CB-SG 3.01Å; C1294-C1321 WeakPolarHBondContact SG-CA 3.1Å; C1294-C1321 WeakPolarHBondContact SG-CB 3.49Å; C1294-C1321 CovalentContact SG-SG 2.03Å; C1294-C1321 PolarHBondContact SG-SG 3.18Å; C1294-E1326 CarbonylContact C-O 3.54Å; C1294-E1326 WeakPolarHBondContact CA-O 3.48Å |
| 1295 | K | 63.9 | Low | 56.2 | Low | 57 Ų | 57 | 22.6 Ų | 22.6 | 25% | 0.248 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.4 | 176.7 | -175.8 | -172.8 | -177.6 | 179.9 | 0 | 108.9 | R1300 Y1301 T1325 E1326 V1328 | K1295-R1300 CarbonylContact C-O 3.48Å; K1295-R1300 WeakPolarHBondContact CA-O 3.28Å; K1295-Y1301 HydrophobicContact CB-CD1 3.55Å; K1295-Y1301 HydrophobicContact CB-CE1 3.5Å; K1295-Y1301 HydrophobicContact CD-CD1 4.4Å; K1295-Y1301 HydrophobicContact CD-CE1 3.57Å; K1295-Y1301 HydrophobicContact CG-CD1 3.76Å; K1295-Y1301 HydrophobicContact CG-CE1 3.43Å; K1295-Y1301 VanDerWaalsContact CG-CE1 3.43Å; K1295-T1325 CarbonylContact O-C 3.58Å; K1295-T1325 WeakPolarHBondContact O-CA 3.34Å; K1295-T1325 VanDerWaalsContact O-CB 3.23Å; K1295-T1325 WeakPolarHBondContact O-CB 3.47Å; K1295-E1326 HydrophobicContact CB-CB 4.3Å; K1295-E1326 WeakPolarHBondContact CD-OE2 3.5Å; K1295-E1326 PolarHBondContact N-O 3.47Å; K1295-E1326 IonicContact NZ-OE2 3.31Å; K1295-E1326 PolarHBondContact O-N 3.35Å; K1295-V1328 HydrophobicContact CB-CG1 3.7Å; K1295-V1328 HydrophobicContact CB-CG2 4.04Å; K1295-V1328 HydrophobicContact CD-CG1 4.12Å |
| 1296 | D | 60.4 | Low | 56.8 | Low | 13 Ų | 13 | 21.6 Ų | 21.6 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 171.4 | 177 | 70.7 | 24.2 | 0 | 0 | 0 | 113.4 | K1263 S1298 G1299 R1300 F1302 T1325 | K1263-D1296 WeakPolarHBondContact CD-OD2 3.32Å; K1263-D1296 VanDerWaalsContact CE-OD2 3.24Å; K1263-D1296 WeakPolarHBondContact CE-OD2 3.42Å; K1263-D1296 IonicContact NZ-OD2 3.68Å; K1263-D1296 PolarHBondContact NZ-OD2 2.92Å; D1296-S1298 PolarHBondContact O-N 3.5Å; D1296-S1298 VanDerWaalsContact O-N 3.14Å; D1296-S1298 VanDerWaalsContact OD1-C 3.31Å; D1296-S1298 WeakPolarHBondContact OD1-CA 3.35Å; D1296-S1298 VanDerWaalsContact OD1-CB 3.31Å; D1296-S1298 WeakPolarHBondContact OD1-CB 3.13Å; D1296-S1298 PolarHBondContact OD1-N 2.96Å; D1296-S1298 PolarHBondContact OD1-OG 2.88Å; D1296-S1298 PolarHBondContact OD2-OG 3.32Å; D1296-G1299 WeakPolarHBondContact O-CA 3.38Å; D1296-G1299 PolarHBondContact O-N 3.07Å; D1296-G1299 PolarHBondContact OD1-N 3.31Å; D1296-R1300 PolarHBondContact N-O 2.74Å; D1296-R1300 PolarHBondContact OD1-N 3.11Å; D1296-F1302 HydrophobicContact CB-CD1 4.33Å; D1296-F1302 HydrophobicContact CB-CE1 3.92Å; D1296-T1325 HydrophobicContact CB-CG2 4.02Å |
| 1297 | N | 52.1 | Low | 57 | Low | 86 Ų | 86 | 22.8 Ų | 22.8 | 46% | 0.46 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14 | 176.1 | -66 | -53 | 0 | 0 | 0 | 114.2 | P48 G1299 G1324 | P48-N1297 WeakPolarHBondContact CG-O 3.43Å; N1297-G1299 VanDerWaalsContact C-N 3.3Å; N1297-G1324 PolarHBondContact ND2-O 3.16Å; N1297-G1324 PolarHBondContact OD1-O 2.92Å |
| 1298 | S | 44.4 | Very low | 57.1 | Low | 46 Ų | 46 | 23.5 Ų | 23.5 | 32% | 0.322 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.6 | 170.1 | 26.9 | 0 | 0 | 0 | 0 | 112.8 | D1296 R1300 | D1296-S1298 PolarHBondContact O-N 3.5Å; D1296-S1298 VanDerWaalsContact O-N 3.14Å; D1296-S1298 VanDerWaalsContact OD1-C 3.31Å; D1296-S1298 WeakPolarHBondContact OD1-CA 3.35Å; D1296-S1298 VanDerWaalsContact OD1-CB 3.31Å; D1296-S1298 WeakPolarHBondContact OD1-CB 3.13Å; D1296-S1298 PolarHBondContact OD1-N 2.96Å; D1296-S1298 PolarHBondContact OD1-OG 2.88Å; D1296-S1298 PolarHBondContact OD2-OG 3.32Å; S1298-R1300 VanDerWaalsContact C-N 3.28Å |
| 1299 | G | 50.2 | Low | 56.9 | Low | 16 Ų | 16 | 23 Ų | 23 | 17% | 0.165 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 85.6 | -6.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q3 D1296 N1297 Y1301 | Q3-G1299 PolarHBondContact OE1-O 3.12Å; Q3-G1299 VanDerWaalsContact OE1-O 3.08Å; D1296-G1299 WeakPolarHBondContact O-CA 3.38Å; D1296-G1299 PolarHBondContact O-N 3.07Å; D1296-G1299 PolarHBondContact OD1-N 3.31Å; N1297-G1299 VanDerWaalsContact C-N 3.3Å; G1299-Y1301 WeakPolarHBondContact O-CE2 3.24Å |
| 1300 | R | 54 | Low | 56.2 | Low | 84 Ų | 84 | 27.8 Ų | 27.8 | 32% | 0.317 | 14% | 0.141 | S | C | . | . | trans | -77.1 | 150.7 | 179.7 | -65.2 | -166.2 | -169.6 | -163.8 | 1 | 111.2 | K1263 F1264 D1265 K1295 D1296 S1298 | K1263-R1300 HydrophobicContact CB-CB 4.34Å; F1264-R1300 WeakPolarHBondContact O-CB 3.49Å; D1265-R1300 IonicContact OD1-NE 3.33Å; K1295-R1300 CarbonylContact C-O 3.48Å; K1295-R1300 WeakPolarHBondContact CA-O 3.28Å; D1296-R1300 PolarHBondContact N-O 2.74Å; D1296-R1300 PolarHBondContact OD1-N 3.11Å; S1298-R1300 VanDerWaalsContact C-N 3.28Å | ||
| 1301 | Y | 60.5 | Low | 55.6 | Low | 22 Ų | 22 | 33.2 Ų | 33.2 | 9% | 0.086 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 147.6 | -177.5 | -58.4 | -77.9 | 0 | 0 | 0 | 111.1 | T2 Q3 K1263 F1264 D1265 I1267 T1270 C1294 K1295 G1299 V1328 | T2-Y1301 WeakPolarHBondContact O-CE2 3.4Å; Q3-Y1301 HydrophobicContact CB-CE2 4.03Å; Q3-Y1301 VanDerWaalsContact OE1-CE2 3.25Å; K1263-Y1301 CarbonylContact C-O 3.57Å; K1263-Y1301 WeakPolarHBondContact CA-O 3.33Å; F1264-Y1301 PolarHBondContact N-O 3.33Å; F1264-Y1301 PolarHBondContact O-N 3.03Å; D1265-Y1301 WeakPolarHBondContact O-CD2 3.31Å; I1267-Y1301 HydrophobicContact CB-CD1 4.27Å; I1267-Y1301 HydrophobicContact CB-CG 4.25Å; I1267-Y1301 HydrophobicContact CD1-CD1 3.92Å; I1267-Y1301 HydrophobicContact CD1-CE1 3.43Å; I1267-Y1301 VanDerWaalsContact CD1-CE1 3.43Å; I1267-Y1301 HydrophobicContact CG1-CD1 3.1Å; I1267-Y1301 HydrophobicContact CG1-CD2 3.91Å; I1267-Y1301 HydrophobicContact CG1-CE1 3.13Å; I1267-Y1301 HydrophobicContact CG1-CE2 3.99Å; I1267-Y1301 HydrophobicContact CG1-CG 3.43Å; I1267-Y1301 VanDerWaalsContact CG1-CG 3.43Å; T1270-Y1301 VanDerWaalsContact OG1-CB 3.28Å; T1270-Y1301 WeakPolarHBondContact OG1-CB 3.46Å; T1270-Y1301 PolarHBondContact OG1-O 2.83Å; C1294-Y1301 CarbonylContact O-C 3.47Å; C1294-Y1301 VanDerWaalsContact O-CA 3.29Å; C1294-Y1301 WeakPolarHBondContact O-CA 3.22Å; K1295-Y1301 HydrophobicContact CB-CD1 3.55Å; K1295-Y1301 HydrophobicContact CB-CE1 3.5Å; K1295-Y1301 HydrophobicContact CD-CD1 4.4Å; K1295-Y1301 HydrophobicContact CD-CE1 3.57Å; K1295-Y1301 HydrophobicContact CG-CD1 3.76Å; K1295-Y1301 HydrophobicContact CG-CE1 3.43Å; K1295-Y1301 VanDerWaalsContact CG-CE1 3.43Å; G1299-Y1301 WeakPolarHBondContact O-CE2 3.24Å; Y1301-V1328 HydrophobicContact CD1-CG2 3.59Å; Y1301-V1328 HydrophobicContact CE1-CB 4.19Å; Y1301-V1328 HydrophobicContact CE1-CG1 4.2Å; Y1301-V1328 HydrophobicContact CE1-CG2 3.67Å |
| 1302 | F | 61.9 | Low | 54.5 | Low | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 146.7 | -179.4 | 66.3 | -94 | 0 | 0 | 0 | 109.8 | P1261 K1263 C1294 D1296 P1322 T1325 | P1261-F1302 HydrophobicContact CB-CB 4.07Å; P1261-F1302 HydrophobicContact CB-CD2 4.04Å; P1261-F1302 HydrophobicContact CB-CG 4.45Å; P1261-F1302 HydrophobicContact CG-CB 3.77Å; P1261-F1302 HydrophobicContact CG-CD2 3.11Å; P1261-F1302 HydrophobicContact CG-CE2 3.81Å; P1261-F1302 HydrophobicContact CG-CG 3.65Å; K1263-F1302 HydrophobicContact CG-CB 4.43Å; C1294-F1302 HydrophobicContact CB-CD1 4.35Å; C1294-F1302 HydrophobicContact CB-CD2 4.07Å; C1294-F1302 HydrophobicContact CB-CE1 3.74Å; C1294-F1302 HydrophobicContact CB-CE2 3.48Å; C1294-F1302 VanDerWaalsContact CB-CE2 3.48Å; C1294-F1302 HydrophobicContact CB-CZ 3.3Å; C1294-F1302 PolarHBondContact N-O 3.02Å; C1294-F1302 WeakPolarHBondContact O-CD1 3.43Å; C1294-F1302 PolarHBondContact O-N 2.78Å; D1296-F1302 HydrophobicContact CB-CD1 4.33Å; D1296-F1302 HydrophobicContact CB-CE1 3.92Å; F1302-P1322 HydrophobicContact CE2-CG 3.73Å; F1302-P1322 HydrophobicContact CZ-CB 4.41Å; F1302-P1322 HydrophobicContact CZ-CG 3.83Å; F1302-T1325 HydrophobicContact CE1-CG2 3.74Å; F1302-T1325 HydrophobicContact CZ-CG2 3.69Å; F1302-T1325 WeakPolarHBondContact CZ-OG1 3.42Å |
| 1303 | S | 62.9 | Low | 53 | Low | 12 Ų | 12 | 35.2 Ų | 35.2 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.2 | 177.8 | 34.2 | 0 | 0 | 0 | 0 | 108.5 | P1261 L1292 Y1331 | P1261-S1303 WeakPolarHBondContact CB-O 3.28Å; L1292-S1303 WeakPolarHBondContact O-CA 3.12Å; S1303-Y1331 VanDerWaalsContact CB-CE1 3.41Å |
| 1304 | T | 60.5 | Low | 51.9 | Low | 12 Ų | 12 | 35.9 Ų | 35.9 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 161.6 | 156.9 | 66.8 | 0 | 0 | 0 | 0 | 107.9 | L1292 C1294 Y1331 | L1292-T1304 HydrophobicContact CB-CG2 3.79Å; L1292-T1304 PolarHBondContact N-OG1 3.03Å; L1292-T1304 PolarHBondContact O-N 2.66Å; L1292-T1304 PolarHBondContact O-OG1 3.11Å; C1294-T1304 WeakPolarHBondContact SG-CG2 3.42Å; T1304-Y1331 PolarHBondContact O-OH 3.06Å |
| 1305 | A | 54.1 | Low | 50.9 | Low | 15 Ų | 15 | 36.7 Ų | 36.7 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 133.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1243 S1244 N1307 | K1243-A1305 WeakPolarHBondContact O-CA 3.38Å; K1243-A1305 WeakPolarHBondContact O-CB 3.48Å; S1244-A1305 VanDerWaalsContact C-CB 3.46Å; S1244-A1305 CarbonylContact O-C 3.55Å; S1244-A1305 VanDerWaalsContact O-C 3.24Å; S1244-A1305 VanDerWaalsContact O-CB 3.24Å; S1244-A1305 WeakPolarHBondContact O-CB 3.14Å; A1305-N1307 PolarHBondContact O-N 3.25Å |
| 1306 | P | 58 | Low | 49.8 | Very low | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | trans | -67.8 | 115.5 | 178.9 | 28.4 | -40.1 | 0 | 0 | 0 | 113.1 | K1243 S1244 I1278 F1289 R1308 Y1331 | K1243-P1306 WeakPolarHBondContact O-CD 3.35Å; S1244-P1306 CarbonylContact O-C 3.56Å; S1244-P1306 VanDerWaalsContact O-C 3.25Å; S1244-P1306 WeakPolarHBondContact O-CD 3.26Å; S1244-P1306 WeakPolarHBondContact O-CG 3.39Å; I1278-P1306 HydrophobicContact CG2-CB 3.9Å; I1278-P1306 HydrophobicContact CG2-CG 3.57Å; F1289-P1306 HydrophobicContact CB-CB 4Å; F1289-P1306 HydrophobicContact CD1-CB 4.04Å; F1289-P1306 HydrophobicContact CD1-CG 4.17Å; P1306-R1308 PolarHBondContact O-N 2.77Å; P1306-Y1331 VanDerWaalsContact CA-OH 3.26Å; P1306-Y1331 WeakPolarHBondContact CA-OH 3.47Å; P1306-Y1331 HydrophobicContact CB-CE2 3.94Å; P1306-Y1331 WeakPolarHBondContact CB-OH 3.21Å; P1306-Y1331 WeakPolarHBondContact CD-OH 3.49Å; P1306-Y1331 VanDerWaalsContact N-OH 3.07Å | ||
| 1307 | N | 50.3 | Low | 48.7 | Very low | 33 Ų | 33 | 37.4 Ų | 37.4 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 105 | 168.8 | -66 | -59.9 | 0 | 0 | 0 | 109.9 | A1290 A1305 G1309 S1314 S1319 | A1290-N1307 PolarHBondContact N-O 2.71Å; A1290-N1307 VanDerWaalsContact O-CB 3.32Å; A1290-N1307 WeakPolarHBondContact O-CB 2.9Å; A1290-N1307 PolarHBondContact O-N 2.73Å; A1290-N1307 PolarHBondContact O-ND2 2.8Å; A1305-N1307 PolarHBondContact O-N 3.25Å; N1307-G1309 PolarHBondContact O-N 3.28Å; N1307-G1309 VanDerWaalsContact O-N 3.1Å; N1307-S1314 WeakPolarHBondContact O-CB 3.33Å; N1307-S1319 PolarHBondContact ND2-N 3.27Å; N1307-S1319 PolarHBondContact ND2-OG 2.67Å; N1307-S1319 PolarHBondContact OD1-OG 2.75Å; N1307-S1319 VanDerWaalsContact OD1-OG 3.08Å |
| 1308 | R | 52.6 | Low | 48.3 | Very low | 66 Ų | 66 | 34.5 Ų | 34.5 | 25% | 0.249 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 110 | 165.5 | -175.6 | -177.7 | -168.9 | -159 | 20.6 | 107.5 | D1230 A1246 E1285 K1287 F1289 P1306 E1310 | D1230-R1308 IonicContact OD1-NH2 3.75Å; A1246-R1308 HydrophobicContact CB-CB 3.51Å; A1246-R1308 HydrophobicContact CB-CG 4.15Å; E1285-R1308 IonicContact OE1-CZ 3.98Å; E1285-R1308 IonicContact OE1-NE 3.32Å; E1285-R1308 IonicContact OE1-NH2 3.42Å; E1285-R1308 PolarHBondContact OE1-NH2 3.39Å; E1285-R1308 IonicContact OE2-CZ 2.85Å; E1285-R1308 IonicContact OE2-NE 3Å; E1285-R1308 PolarHBondContact OE2-NE 3.03Å; E1285-R1308 IonicContact OE2-NH2 3.19Å; E1285-R1308 PolarHBondContact OE2-NH2 2.86Å; K1287-R1308 HydrophobicContact CB-CG 4.39Å; K1287-R1308 HydrophobicContact CD-CG 3.8Å; F1289-R1308 HydrophobicContact CD1-CB 3.95Å; F1289-R1308 HydrophobicContact CD1-CG 4.39Å; F1289-R1308 HydrophobicContact CE1-CB 3.68Å; F1289-R1308 HydrophobicContact CE1-CG 3.77Å; F1289-R1308 HydrophobicContact CZ-CB 4.31Å; F1289-R1308 HydrophobicContact CZ-CG 3.88Å; P1306-R1308 PolarHBondContact O-N 2.77Å; R1308-E1310 PolarHBondContact O-N 2.91Å |
| 1309 | G | 45.8 | Very low | 48.6 | Very low | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | trans | -65 | 129.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | K1287 E1288 N1307 R1311 | K1287-G1309 WeakPolarHBondContact CB-O 3.49Å; K1287-G1309 WeakPolarHBondContact CG-O 3.46Å; E1288-G1309 WeakPolarHBondContact O-CA 3.24Å; E1288-G1309 PolarHBondContact O-N 3.46Å; N1307-G1309 PolarHBondContact O-N 3.28Å; N1307-G1309 VanDerWaalsContact O-N 3.1Å; G1309-R1311 PolarHBondContact O-N 2.86Å | ||
| 1310 | E | 41.7 | Very low | 48.6 | Very low | 100 Ų | 100 | 36 Ų | 36 | 47% | 0.467 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -50.5 | 141.3 | 142.9 | -59.9 | -170 | 149.1 | 0 | 0 | 107.5 | R1308 K1312 G1313 | R1308-E1310 PolarHBondContact O-N 2.91Å; E1310-K1312 PolarHBondContact O-N 3.12Å; E1310-G1313 PolarHBondContact O-N 2.98Å |
| 1311 | R | 42.5 | Very low | 48.7 | Very low | 114 Ų | 114 | 33.1 Ų | 33.1 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -28.9 | 108.8 | 178.4 | -84.5 | 172.9 | 157.6 | 167.3 | -7.8 | 110.2 | D1286 G1309 | D1286-R1311 VanDerWaalsContact O-CG 3.29Å; D1286-R1311 WeakPolarHBondContact O-CG 3.39Å; D1286-R1311 IonicContact OD2-CZ 3.71Å; D1286-R1311 IonicContact OD2-NE 3.71Å; D1286-R1311 PolarHBondContact OD2-NE 3.4Å; D1286-R1311 IonicContact OD2-NH2 3.87Å; D1286-R1311 PolarHBondContact OD2-NH2 2.83Å; G1309-R1311 PolarHBondContact O-N 2.86Å |
| 1312 | K | 38.2 | Very low | 48.3 | Very low | 37 Ų | 37 | 34.9 Ų | 34.9 | 16% | 0.161 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 36.3 | 178.1 | -44 | -175.6 | 172.2 | -152.1 | 0 | 117 | W790 R806 H810 E1288 E1310 | W790-K1312 HydrophobicContact CE3-CD 3.82Å; W790-K1312 VanDerWaalsContact CE3-CE 3.48Å; W790-K1312 HydrophobicContact CE3-CG 4.39Å; W790-K1312 HydrophobicContact CH2-CB 3.65Å; W790-K1312 HydrophobicContact CH2-CD 3.54Å; W790-K1312 HydrophobicContact CH2-CG 3.6Å; W790-K1312 HydrophobicContact CZ2-CD 4.3Å; W790-K1312 HydrophobicContact CZ3-CB 4.03Å; W790-K1312 HydrophobicContact CZ3-CD 3.28Å; W790-K1312 HydrophobicContact CZ3-CG 3.43Å; W790-K1312 VanDerWaalsContact CZ3-CG 3.43Å; R806-K1312 VanDerWaalsContact NE-NZ 3.18Å; H810-K1312 HydrophobicContact CB-CD 3.44Å; H810-K1312 VanDerWaalsContact CB-CD 3.44Å; H810-K1312 VanDerWaalsContact O-CD 3.24Å; H810-K1312 WeakPolarHBondContact O-CD 3.45Å; H810-K1312 WeakPolarHBondContact O-CE 3.38Å; H810-K1312 PolarHBondContact O-NZ 2.86Å; E1288-K1312 WeakPolarHBondContact OE2-CA 3.18Å; E1310-K1312 PolarHBondContact O-N 3.12Å |
| 1313 | G | 35 | Very low | 47.5 | Very low | 12 Ų | 12 | 39.1 Ų | 39.1 | 12% | 0.124 | 21% | 0.207 | C | C | . | . | trans | -145 | 2.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 119 | E1288 E1310 Y1315 | E1288-G1313 PolarHBondContact OE2-N 2.59Å; E1310-G1313 PolarHBondContact O-N 2.98Å; G1313-Y1315 PolarHBondContact O-N 2.92Å | ||
| 1314 | S | 39.2 | Very low | 46.8 | Very low | 15 Ų | 15 | 40.6 Ų | 40.6 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | trans | -81.9 | 81.7 | -173.9 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | E1288 A1290 N1307 | E1288-S1314 WeakPolarHBondContact CB-OG 3.41Å; E1288-S1314 WeakPolarHBondContact O-CB 3.46Å; A1290-S1314 WeakPolarHBondContact CB-O 3.49Å; N1307-S1314 WeakPolarHBondContact O-CB 3.33Å | ||
| 1315 | Y | 40.8 | Very low | 46.5 | Very low | 17 Ų | 17 | 41.6 Ų | 41.6 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | trans | -80.7 | 121.9 | 167.7 | -80.5 | -87 | 0 | 0 | 0 | 110.6 | F531 Y541 G1313 F1317 N1318 Y1342 | F531-Y1315 WeakPolarHBondContact CD1-OH 3.4Å; F531-Y1315 WeakPolarHBondContact CE1-OH 3.47Å; Y541-Y1315 WeakPolarHBondContact OH-CD1 3.04Å; Y541-Y1315 WeakPolarHBondContact OH-CE1 3.43Å; Y541-Y1315 VanDerWaalsContact OH-CZ 3.31Å; G1313-Y1315 PolarHBondContact O-N 2.92Å; Y1315-F1317 AromaticContact CD1-CD2 3.96Å; Y1315-F1317 HydrophobicContact CD1-CD2 3.96Å; Y1315-F1317 HydrophobicContact CD1-CE2 4.24Å; Y1315-F1317 PolarHBondContact O-N 2.86Å; Y1315-F1317 VanDerWaalsContact O-N 3.09Å; Y1315-N1318 PolarHBondContact O-N 3.12Å; Y1315-Y1342 HydrophobicContact CE1-CD1 4.45Å; Y1315-Y1342 AromaticContact CE1-CE1 3.71Å; Y1315-Y1342 HydrophobicContact CE1-CE1 3.71Å; Y1315-Y1342 AromaticContact CZ-CE1 3.67Å; Y1315-Y1342 AromaticContact CZ-CZ 3.91Å; Y1315-Y1342 WeakPolarHBondContact OH-CE1 3.35Å; Y1315-Y1342 PolarHBondContact OH-OH 3.34Å | ||
| 1316 | P | 40.8 | Very low | 46.6 | Very low | 23 Ų | 23 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64.1 | -17.7 | 179.7 | 24.3 | -32.7 | 0 | 0 | 0 | 113.2 | A1290 L1292 N1318 A1330 | A1290-P1316 HydrophobicContact CB-CB 4.01Å; A1290-P1316 HydrophobicContact CB-CG 4.43Å; L1292-P1316 HydrophobicContact CD2-CB 4.28Å; L1292-P1316 WeakPolarHBondContact CD2-O 3.24Å; P1316-N1318 PolarHBondContact O-N 2.82Å; P1316-N1318 VanDerWaalsContact O-N 3.13Å; P1316-A1330 HydrophobicContact CB-CB 3.68Å; P1316-A1330 HydrophobicContact CG-CB 3.94Å |
| 1317 | F | 37.7 | Very low | 47.1 | Very low | 62 Ų | 62 | 49.5 Ų | 49.5 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -64.5 | -11.6 | 178.4 | -54.6 | -79 | 0 | 0 | 0 | 114.8 | L528 M549 Y1315 D1344 | L528-F1317 HydrophobicContact CD2-CE2 4.43Å; M549-F1317 VanDerWaalsContact CE-O 3.22Å; M549-F1317 WeakPolarHBondContact CE-O 3.29Å; Y1315-F1317 AromaticContact CD1-CD2 3.96Å; Y1315-F1317 HydrophobicContact CD1-CD2 3.96Å; Y1315-F1317 HydrophobicContact CD1-CE2 4.24Å; Y1315-F1317 PolarHBondContact O-N 2.86Å; Y1315-F1317 VanDerWaalsContact O-N 3.09Å; F1317-D1344 WeakPolarHBondContact CZ-OD2 3.46Å |
| 1318 | N | 43.8 | Very low | 47.3 | Very low | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -83 | -8.1 | -174.4 | -96.2 | -15.6 | 0 | 0 | 0 | 115.5 | M549 Q560 R562 Y1315 P1316 | M549-N1318 VanDerWaalsContact CE-OD1 3.27Å; M549-N1318 WeakPolarHBondContact CE-OD1 3.16Å; Q560-N1318 PolarHBondContact OE1-ND2 2.9Å; R562-N1318 PolarHBondContact NH1-O 2.56Å; R562-N1318 PolarHBondContact NH2-O 2.81Å; R562-N1318 PolarHBondContact NH2-OD1 2.74Å; Y1315-N1318 PolarHBondContact O-N 3.12Å; P1316-N1318 PolarHBondContact O-N 2.82Å; P1316-N1318 VanDerWaalsContact O-N 3.13Å |
| 1319 | S | 49.9 | Very low | 47.4 | Very low | 21 Ų | 21 | 45.8 Ų | 45.8 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -110.8 | 127 | 172.8 | -71.2 | 0 | 0 | 0 | 0 | 110.8 | L1292 N1307 | L1292-S1319 WeakPolarHBondContact CD1-O 2.96Å; L1292-S1319 WeakPolarHBondContact CG-O 3.31Å; N1307-S1319 PolarHBondContact ND2-N 3.27Å; N1307-S1319 PolarHBondContact ND2-OG 2.67Å; N1307-S1319 PolarHBondContact OD1-OG 2.75Å; N1307-S1319 VanDerWaalsContact OD1-OG 3.08Å |
| 1320 | P | 51.1 | Low | 47.8 | Very low | 73 Ų | 73 | 47 Ų | 47 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 149.7 | 167 | 31.8 | -32.9 | 0 | 0 | 0 | 110.5 | ||
| 1321 | C | 54.7 | Low | 48.4 | Very low | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 143.5 | 163.8 | -74 | 0 | 0 | 0 | 0 | 110.6 | C1294 T1325 K1327 | C1294-C1321 HydrophobicContact CB-CB 3.79Å; C1294-C1321 WeakPolarHBondContact CB-SG 3.01Å; C1294-C1321 WeakPolarHBondContact SG-CA 3.1Å; C1294-C1321 WeakPolarHBondContact SG-CB 3.49Å; C1294-C1321 CovalentContact SG-SG 2.03Å; C1294-C1321 PolarHBondContact SG-SG 3.18Å; C1321-T1325 WeakPolarHBondContact CB-OG1 3.35Å; C1321-K1327 WeakPolarHBondContact SG-CA 3.15Å |
| 1322 | P | 52.2 | Low | 48.8 | Very low | 60 Ų | 60 | 40.1 Ų | 40.1 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -49.6 | 148.7 | 172.8 | -29.9 | 35.2 | 0 | 0 | 0 | 113.5 | F1302 G1324 T1325 | F1302-P1322 HydrophobicContact CE2-CG 3.73Å; F1302-P1322 HydrophobicContact CZ-CB 4.41Å; F1302-P1322 HydrophobicContact CZ-CG 3.83Å; P1322-G1324 PolarHBondContact O-N 2.88Å; P1322-T1325 HydrophobicContact CB-CG2 4.26Å; P1322-T1325 WeakPolarHBondContact CD-OG1 3.27Å; P1322-T1325 WeakPolarHBondContact O-CB 3.08Å; P1322-T1325 PolarHBondContact O-N 3.18Å; P1322-T1325 PolarHBondContact O-OG1 3.06Å |
| 1323 | N | 45.3 | Very low | 49.2 | Very low | 95 Ų | 95 | 38.5 Ų | 38.5 | 51% | 0.508 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 127.7 | -178.4 | -79.3 | -39.9 | 0 | 0 | 0 | 112 | ||
| 1324 | G | 48.8 | Very low | 49.7 | Very low | 42 Ų | 42 | 42.4 Ų | 42.4 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 28.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1297 P1322 | N1297-G1324 PolarHBondContact ND2-O 3.16Å; N1297-G1324 PolarHBondContact OD1-O 2.92Å; P1322-G1324 PolarHBondContact O-N 2.88Å |
| 1325 | T | 53.9 | Low | 49.7 | Very low | 34 Ų | 34 | 42 Ų | 42 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.2 | 173.3 | 73.2 | 0 | 0 | 0 | 0 | 110 | K1295 D1296 F1302 C1321 P1322 | K1295-T1325 CarbonylContact O-C 3.58Å; K1295-T1325 WeakPolarHBondContact O-CA 3.34Å; K1295-T1325 VanDerWaalsContact O-CB 3.23Å; K1295-T1325 WeakPolarHBondContact O-CB 3.47Å; D1296-T1325 HydrophobicContact CB-CG2 4.02Å; F1302-T1325 HydrophobicContact CE1-CG2 3.74Å; F1302-T1325 HydrophobicContact CZ-CG2 3.69Å; F1302-T1325 WeakPolarHBondContact CZ-OG1 3.42Å; C1321-T1325 WeakPolarHBondContact CB-OG1 3.35Å; P1322-T1325 HydrophobicContact CB-CG2 4.26Å; P1322-T1325 WeakPolarHBondContact CD-OG1 3.27Å; P1322-T1325 WeakPolarHBondContact O-CB 3.08Å; P1322-T1325 PolarHBondContact O-N 3.18Å; P1322-T1325 PolarHBondContact O-OG1 3.06Å |
| 1326 | E | 56 | Low | 49.6 | Very low | 107 Ų | 107 | 41.6 Ų | 41.6 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.7 | -171.9 | 175.7 | -176.5 | -149.5 | 0 | 0 | 110.3 | C1294 K1295 V1328 | C1294-E1326 CarbonylContact C-O 3.54Å; C1294-E1326 WeakPolarHBondContact CA-O 3.48Å; K1295-E1326 HydrophobicContact CB-CB 4.3Å; K1295-E1326 WeakPolarHBondContact CD-OE2 3.5Å; K1295-E1326 PolarHBondContact N-O 3.47Å; K1295-E1326 IonicContact NZ-OE2 3.31Å; K1295-E1326 PolarHBondContact O-N 3.35Å; E1326-V1328 HydrophobicContact CB-CG1 4.28Å; E1326-V1328 HydrophobicContact CG-CG1 3.77Å; E1326-V1328 PolarHBondContact O-N 2.86Å |
| 1327 | K | 68.7 | Low | 49.4 | Very low | 79 Ų | 79 | 41.3 Ų | 41.3 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 124.4 | 168 | 175.7 | -175.6 | 168.5 | 171 | 0 | 108.4 | L1292 C1321 | L1292-K1327 HydrophobicContact CD1-CB 4.16Å; L1292-K1327 HydrophobicContact CD1-CD 3.8Å; L1292-K1327 HydrophobicContact CD1-CG 3.91Å; L1292-K1327 HydrophobicContact CD2-CD 3.64Å; L1292-K1327 HydrophobicContact CD2-CG 4.14Å; L1292-K1327 HydrophobicContact CG-CD 4.33Å; L1292-K1327 HydrophobicContact CG-CG 4.49Å; C1321-K1327 WeakPolarHBondContact SG-CA 3.15Å |
| 1328 | V | 54.3 | Low | 49.1 | Very low | 17 Ų | 17 | 38.7 Ų | 38.7 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -15.9 | -175.4 | -69.7 | 0 | 0 | 0 | 0 | 114.1 | I1267 I1293 K1295 Y1301 E1326 I1346 | I1267-V1328 HydrophobicContact CD1-CB 3.68Å; I1267-V1328 HydrophobicContact CD1-CG2 3.62Å; I1267-V1328 HydrophobicContact CG1-CB 4.41Å; I1267-V1328 HydrophobicContact CG1-CG2 3.79Å; I1267-V1328 HydrophobicContact CG2-CG2 4.43Å; I1293-V1328 HydrophobicContact CG2-CG2 4.21Å; I1293-V1328 WeakPolarHBondContact O-CG2 3.07Å; I1293-V1328 PolarHBondContact O-N 3.13Å; K1295-V1328 HydrophobicContact CB-CG1 3.7Å; K1295-V1328 HydrophobicContact CB-CG2 4.04Å; K1295-V1328 HydrophobicContact CD-CG1 4.12Å; Y1301-V1328 HydrophobicContact CD1-CG2 3.59Å; Y1301-V1328 HydrophobicContact CE1-CB 4.19Å; Y1301-V1328 HydrophobicContact CE1-CG1 4.2Å; Y1301-V1328 HydrophobicContact CE1-CG2 3.67Å; E1326-V1328 HydrophobicContact CB-CG1 4.28Å; E1326-V1328 HydrophobicContact CG-CG1 3.77Å; E1326-V1328 PolarHBondContact O-N 2.86Å; V1328-I1346 WeakPolarHBondContact O-CG2 3.38Å |
| 1329 | S | 54.7 | Low | 48.4 | Very low | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | -163.4 | 161.2 | -160.2 | 0 | 0 | 0 | 0 | 110.7 | M1 I1293 | M1-S1329 WeakPolarHBondContact CE-OG 3.33Å; I1293-S1329 PolarHBondContact N-O 3.05Å; I1293-S1329 PolarHBondContact O-N 2.93Å |
| 1330 | A | 54.5 | Low | 47.3 | Very low | 27 Ų | 27 | 40.8 Ų | 40.8 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 169.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G1291 L1292 P1316 | G1291-A1330 VanDerWaalsContact O-CA 3.23Å; G1291-A1330 WeakPolarHBondContact O-CA 3.48Å; G1291-A1330 VanDerWaalsContact O-CB 3.32Å; G1291-A1330 WeakPolarHBondContact O-CB 3.27Å; L1292-A1330 HydrophobicContact CD2-CB 4.47Å; P1316-A1330 HydrophobicContact CB-CB 3.68Å; P1316-A1330 HydrophobicContact CG-CB 3.94Å |
| 1331 | Y | 54.4 | Low | 46.2 | Very low | 12 Ų | 12 | 37.8 Ų | 37.8 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.8 | 167.6 | 63.5 | -92.6 | 0 | 0 | 0 | 107.6 | A1274 I1278 A1290 G1291 L1292 I1293 S1303 T1304 P1306 | A1274-Y1331 HydrophobicContact CB-CD1 3.49Å; A1274-Y1331 VanDerWaalsContact CB-CD1 3.49Å; A1274-Y1331 HydrophobicContact CB-CD2 3.61Å; A1274-Y1331 HydrophobicContact CB-CE1 3.52Å; A1274-Y1331 HydrophobicContact CB-CE2 3.66Å; A1274-Y1331 HydrophobicContact CB-CG 3.53Å; I1278-Y1331 HydrophobicContact CD1-CD2 3.44Å; I1278-Y1331 VanDerWaalsContact CD1-CD2 3.44Å; I1278-Y1331 HydrophobicContact CD1-CE2 3.35Å; A1290-Y1331 WeakPolarHBondContact CA-O 3.44Å; G1291-Y1331 VanDerWaalsContact CA-CZ 3.41Å; G1291-Y1331 PolarHBondContact N-O 3.4Å; G1291-Y1331 PolarHBondContact O-N 3.03Å; L1292-Y1331 WeakPolarHBondContact O-CE1 3.39Å; I1293-Y1331 HydrophobicContact CD1-CD1 4.15Å; I1293-Y1331 HydrophobicContact CG1-CD1 3.68Å; I1293-Y1331 HydrophobicContact CG1-CE1 4.39Å; S1303-Y1331 VanDerWaalsContact CB-CE1 3.41Å; T1304-Y1331 PolarHBondContact O-OH 3.06Å; P1306-Y1331 VanDerWaalsContact CA-OH 3.26Å; P1306-Y1331 WeakPolarHBondContact CA-OH 3.47Å; P1306-Y1331 HydrophobicContact CB-CE2 3.94Å; P1306-Y1331 WeakPolarHBondContact CB-OH 3.21Å; P1306-Y1331 WeakPolarHBondContact CD-OH 3.49Å; P1306-Y1331 VanDerWaalsContact N-OH 3.07Å |
| 1332 | H | 50.8 | Low | 45 | Very low | 58 Ų | 58 | 40 Ų | 40 | 27% | 0.269 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 153.9 | 170.2 | 86.6 | 94.9 | 0 | 0 | 0 | 113.4 | L1275 F1289 A1290 H1334 | L1275-H1332 WeakPolarHBondContact CD2-O 3.34Å; F1289-H1332 CarbonylContact O-C 3.53Å; F1289-H1332 WeakPolarHBondContact O-CA 3.44Å; F1289-H1332 WeakPolarHBondContact O-CB 3.34Å; A1290-H1332 HydrophobicContact CB-CB 3.66Å; H1332-H1334 AromaticContact CE1-CD2 3.74Å; H1332-H1334 AromaticContact CE1-CE1 3.45Å; H1332-H1334 PolarHBondContact CE1-CE1 2.64Å; H1332-H1334 VanDerWaalsContact CE1-CE1 3.45Å; H1332-H1334 AromaticContact CE1-ND1 3.91Å; H1332-H1334 AromaticContact CE1-NE2 3.32Å; H1332-H1334 PolarHBondContact CE1-NE2 2.96Å; H1332-H1334 VanDerWaalsContact CE1-NE2 3.32Å; H1332-H1334 AromaticContact NE2-NE2 3.71Å |
| 1333 | T | 47.4 | Very low | 43.8 | Very low | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | trans | -94.1 | 161.8 | 167.7 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | L1275 I1278 S1282 F1289 | L1275-T1333 HydrophobicContact CD2-CG2 4.43Å; I1278-T1333 HydrophobicContact CB-CG2 4.03Å; I1278-T1333 HydrophobicContact CD1-CG2 3.54Å; I1278-T1333 HydrophobicContact CG1-CG2 3.28Å; S1282-T1333 WeakPolarHBondContact CB-OG1 3.32Å; S1282-T1333 VanDerWaalsContact OG-CB 3.25Å; S1282-T1333 WeakPolarHBondContact OG-CB 3.13Å; S1282-T1333 PolarHBondContact OG-OG1 3.2Å; F1289-T1333 HydrophobicContact CB-CG2 4.31Å; F1289-T1333 PolarHBondContact N-OG1 2.67Å; F1289-T1333 PolarHBondContact O-N 2.94Å | ||
| 1334 | H | 44.7 | Very low | 43 | Very low | 93 Ų | 93 | 38.3 Ų | 38.3 | 43% | 0.431 | 21% | 0.205 | S | C | . | . | trans | -99.1 | 114.7 | 165.3 | -68.9 | -89.2 | 0 | 0 | 0 | 109.8 | S1282 H1332 S1338 | S1282-H1334 PolarHBondContact OG-O 2.95Å; H1332-H1334 AromaticContact CE1-CD2 3.74Å; H1332-H1334 AromaticContact CE1-CE1 3.45Å; H1332-H1334 PolarHBondContact CE1-CE1 2.64Å; H1332-H1334 VanDerWaalsContact CE1-CE1 3.45Å; H1332-H1334 AromaticContact CE1-ND1 3.91Å; H1332-H1334 AromaticContact CE1-NE2 3.32Å; H1332-H1334 PolarHBondContact CE1-NE2 2.96Å; H1332-H1334 VanDerWaalsContact CE1-NE2 3.32Å; H1332-H1334 AromaticContact NE2-NE2 3.71Å; H1334-S1338 VanDerWaalsContact C-OG 3.27Å; H1334-S1338 WeakPolarHBondContact CA-OG 3.25Å; H1334-S1338 WeakPolarHBondContact CB-OG 3.5Å; H1334-S1338 PolarHBondContact ND1-O 3.26Å; H1334-S1338 PolarHBondContact ND1-OG 3.06Å | ||
| 1335 | G | 39 | Very low | 42 | Very low | 8 Ų | 8 | 39.3 Ų | 39.3 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | trans | -67.3 | 171.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1282 D1337 S1338 | S1282-G1335 PolarHBondContact OG-N 2.75Å; G1335-D1337 PolarHBondContact O-N 2.94Å; G1335-S1338 PolarHBondContact N-OG 2.88Å; G1335-S1338 PolarHBondContact O-N 3.5Å; G1335-S1338 VanDerWaalsContact O-N 3.12Å; G1335-S1338 PolarHBondContact O-OG 2.84Å | ||
| 1336 | A | 39.1 | Very low | 40.6 | Very low | 8 Ų | 8 | 41.6 Ų | 41.6 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.6 | -45.5 | -177 | 0 | 0 | 0 | 0 | 0 | 117.1 | P1039 G1040 D1286 | P1039-A1336 HydrophobicContact CB-CB 4.06Å; P1039-A1336 WeakPolarHBondContact O-CB 3.44Å; G1040-A1336 VanDerWaalsContact CA-CB 3.41Å; D1286-A1336 HydrophobicContact CB-CB 4.39Å; D1286-A1336 WeakPolarHBondContact OD1-CB 3.21Å; D1286-A1336 PolarHBondContact OD1-N 3.47Å |
| 1337 | D | 35.5 | Very low | 39.1 | Very low | 17 Ų | 17 | 39.6 Ų | 39.6 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 9.9 | -164.5 | -84.1 | 22.9 | 0 | 0 | 0 | 112 | G789 W790 L791 R806 G1335 | G789-D1337 CarbonylContact C-O 3.51Å; W790-D1337 VanDerWaalsContact CE3-O 3.32Å; L791-D1337 WeakPolarHBondContact CD1-OD1 3.48Å; L791-D1337 WeakPolarHBondContact CG-OD1 3.34Å; R806-D1337 IonicContact CZ-OD2 3.23Å; R806-D1337 IonicContact NH2-OD2 2.73Å; R806-D1337 PolarHBondContact NH2-OD2 3.31Å; G1335-D1337 PolarHBondContact O-N 2.94Å |
| 1338 | S | 31.3 | Very low | 36.9 | Very low | 7 Ų | 7 | 38.8 Ų | 38.8 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | trans | -110 | 49.9 | -172.3 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | E1288 H1334 G1335 G1340 | E1288-S1338 WeakPolarHBondContact OE1-CB 3.46Å; H1334-S1338 VanDerWaalsContact C-OG 3.27Å; H1334-S1338 WeakPolarHBondContact CA-OG 3.25Å; H1334-S1338 WeakPolarHBondContact CB-OG 3.5Å; H1334-S1338 PolarHBondContact ND1-O 3.26Å; H1334-S1338 PolarHBondContact ND1-OG 3.06Å; G1335-S1338 PolarHBondContact N-OG 2.88Å; G1335-S1338 PolarHBondContact O-N 3.5Å; G1335-S1338 VanDerWaalsContact O-N 3.12Å; G1335-S1338 PolarHBondContact O-OG 2.84Å; S1338-G1340 PolarHBondContact O-N 3.44Å | ||
| 1339 | H | 30.3 | Very low | 35.5 | Very low | 70 Ų | 70 | 38.7 Ų | 38.7 | 32% | 0.324 | 20% | 0.203 | S | C | . | . | trans | -77.6 | 67.9 | 179 | -97.5 | -51.8 | 0 | 0 | 0 | 112.7 | L769 S788 G789 | L769-H1339 HydrophobicContact CD1-CB 4.34Å; L769-H1339 HydrophobicContact CD2-CB 4.07Å; L769-H1339 VanDerWaalsContact CD2-O 3.26Å; L769-H1339 WeakPolarHBondContact CD2-O 3.45Å; S788-H1339 CarbonylContact C-O 3.49Å; S788-H1339 CarbonylContact O-C 3.58Å; S788-H1339 VanDerWaalsContact O-O 3.06Å; G789-H1339 WeakPolarHBondContact CA-O 3.32Å; G789-H1339 PolarHBondContact N-O 3.46Å | ||
| 1340 | G | 27.1 | Very low | 34 | Very low | 20 Ų | 20 | 41.3 Ų | 41.3 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 126.1 | 166.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1338 | S1338-G1340 PolarHBondContact O-N 3.44Š|
| 1341 | E | 28.1 | Very low | 32.7 | Very low | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | trans | 49.3 | 99.3 | 175.6 | -73 | -175.4 | 167.5 | 0 | 0 | 118.7 | D512 S516 R517 K518 C534 S788 | D512-E1341 HydrophobicContact CB-CG 4.1Å; S516-E1341 WeakPolarHBondContact CB-OE1 3.29Å; R517-E1341 PolarHBondContact N-OE1 3.44Å; R517-E1341 VanDerWaalsContact N-OE1 3.13Å; K518-E1341 HydrophobicContact CD-CB 3.69Å; K518-E1341 HydrophobicContact CD-CG 3.89Å; K518-E1341 VanDerWaalsContact CE-CB 3.43Å; K518-E1341 WeakPolarHBondContact CE-OE2 3.32Å; K518-E1341 HydrophobicContact CG-CB 4.28Å; K518-E1341 VanDerWaalsContact CG-CD 3.4Å; K518-E1341 HydrophobicContact CG-CG 3.92Å; K518-E1341 WeakPolarHBondContact CG-OE2 3.25Å; K518-E1341 PolarHBondContact NZ-O 2.91Å; K518-E1341 IonicContact NZ-OE2 3.63Å; C534-E1341 WeakPolarHBondContact CB-OE1 3.22Å; C534-E1341 WeakPolarHBondContact CB-OE2 3.43Å; C534-E1341 PolarHBondContact N-OE2 3.27Å; C534-E1341 PolarHBondContact SG-OE2 3.3Å; S788-E1341 WeakPolarHBondContact CB-OE2 3.28Å; S788-E1341 WeakPolarHBondContact OG-CB 3.45Å; S788-E1341 PolarHBondContact OG-OE2 3.34Å; S788-E1341 VanDerWaalsContact OG-OE2 3.09Å | ||
| 1342 | Y | 27.9 | Very low | 31.3 | Very low | 69 Ų | 69 | 41.5 Ų | 41.5 | 27% | 0.271 | 21% | 0.214 | S | C | . | . | -153.8 | 136.6 | 123 | -99.9 | -75.9 | 0 | 0 | 0 | 108.5 | K518 F531 Y1315 | K518-Y1342 VanDerWaalsContact NZ-CD1 3.25Å; K518-Y1342 VanDerWaalsContact NZ-CE1 3.26Å; F531-Y1342 HydrophobicContact CD1-CE1 4.43Å; F531-Y1342 AromaticContact CE1-CE1 3.55Å; F531-Y1342 HydrophobicContact CE1-CE1 3.55Å; F531-Y1342 AromaticContact CE1-CZ 3.96Å; F531-Y1342 HydrophobicContact CE2-CD1 4.05Å; F531-Y1342 AromaticContact CE2-CE1 3.75Å; F531-Y1342 HydrophobicContact CE2-CE1 3.75Å; F531-Y1342 AromaticContact CZ-CD1 3.76Å; F531-Y1342 HydrophobicContact CZ-CD1 3.76Å; F531-Y1342 AromaticContact CZ-CE1 3.12Å; F531-Y1342 HydrophobicContact CZ-CE1 3.12Å; F531-Y1342 AromaticContact CZ-CZ 3.86Å; Y1315-Y1342 HydrophobicContact CE1-CD1 4.45Å; Y1315-Y1342 AromaticContact CE1-CE1 3.71Å; Y1315-Y1342 HydrophobicContact CE1-CE1 3.71Å; Y1315-Y1342 AromaticContact CZ-CE1 3.67Å; Y1315-Y1342 AromaticContact CZ-CZ 3.91Å; Y1315-Y1342 WeakPolarHBondContact OH-CE1 3.35Å; Y1315-Y1342 PolarHBondContact OH-OH 3.34Å | |||
| 1343 | W | 27.1 | Very low | 30.1 | Very low | 50 Ų | 50 | 38.9 Ų | 38.9 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | trans | -117.4 | 129.9 | -174.8 | -69.4 | 101.1 | 0 | 0 | 0 | 110.2 | T495 Y497 T510 M520 | T495-W1343 HydrophobicContact CG2-CD2 4.16Å; T495-W1343 HydrophobicContact CG2-CE3 4.23Å; T495-W1343 HydrophobicContact CG2-CH2 3.38Å; T495-W1343 HydrophobicContact CG2-CZ2 3.21Å; T495-W1343 HydrophobicContact CG2-CZ3 3.86Å; T495-W1343 WeakPolarHBondContact OG1-CH2 3.48Å; T495-W1343 WeakPolarHBondContact OG1-CZ2 3.29Å; Y497-W1343 HydrophobicContact CE1-CD2 4.14Å; Y497-W1343 AromaticContact CE1-CE3 3.62Å; Y497-W1343 HydrophobicContact CE1-CE3 3.62Å; Y497-W1343 HydrophobicContact CE1-CZ3 4.05Å; Y497-W1343 AromaticContact CZ-CE3 3.97Å; Y497-W1343 AromaticContact CZ-CZ3 3.89Å; Y497-W1343 WeakPolarHBondContact OH-CZ3 3.27Å; T510-W1343 VanDerWaalsContact CG2-CD1 3.45Å; T510-W1343 HydrophobicContact CG2-CD2 3.66Å; T510-W1343 HydrophobicContact CG2-CE3 4.43Å; T510-W1343 HydrophobicContact CG2-CG 3.64Å; M520-W1343 HydrophobicContact CE-CB 3.93Å | ||
| 1344 | D | 28.6 | Very low | 29.1 | Very low | 68 Ų | 68 | 41.3 Ų | 41.3 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | trans | -164.3 | 129.4 | 134.1 | -100 | -21.9 | 0 | 0 | 0 | 111.1 | F1317 | F1317-D1344 WeakPolarHBondContact CZ-OD2 3.46Š| ||
| 1345 | E | 27.7 | Very low | 28.3 | Very low | 63 Ų | 63 | 38.5 Ų | 38.5 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -96.5 | 110.9 | -165.2 | -51.3 | 179.9 | 108.9 | 0 | 0 | 111.7 | L484 Y497 | L484-E1345 WeakPolarHBondContact CD2-OE1 3.33Å; Y497-E1345 HydrophobicContact CE1-CG 4.01Å; Y497-E1345 VanDerWaalsContact CE1-OE1 3.27Å; Y497-E1345 WeakPolarHBondContact CE1-OE1 3.12Å; Y497-E1345 PolarHBondContact OH-OE1 3.3Å | ||
| 1346 | I | 25 | Very low | 27.7 | Very low | 83 Ų | 83 | 41.7 Ų | 41.7 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | trans | -126.7 | 44.1 | 158.6 | -37.4 | -178.9 | 0 | 0 | 0 | 110.7 | V1328 | V1328-I1346 WeakPolarHBondContact O-CG2 3.38Š| ||
| 1347 | F | 24.1 | Very low | 27.1 | Very low | 64 Ų | 64 | 41.7 Ų | 41.7 | 28% | 0.281 | 21% | 0.211 | S | C | . | . | trans | -104.1 | 115.2 | 154.5 | -65 | -100.6 | 0 | 0 | 0 | 106.8 | M1 L1352 I1355 | M1-F1347 HydrophobicContact CB-CD1 3.4Å; M1-F1347 VanDerWaalsContact CB-CD1 3.4Å; M1-F1347 HydrophobicContact CB-CE1 3.92Å; M1-F1347 HydrophobicContact CB-CG 4.03Å; M1-F1347 HydrophobicContact CE-CD1 4.04Å; M1-F1347 HydrophobicContact CE-CD2 4.06Å; M1-F1347 HydrophobicContact CE-CE1 3.49Å; M1-F1347 VanDerWaalsContact CE-CE1 3.49Å; M1-F1347 HydrophobicContact CE-CE2 3.46Å; M1-F1347 VanDerWaalsContact CE-CE2 3.46Å; M1-F1347 HydrophobicContact CE-CG 4.33Å; M1-F1347 HydrophobicContact CE-CZ 3.16Å; M1-F1347 HydrophobicContact CG-CD1 3.9Å; M1-F1347 HydrophobicContact CG-CE1 3.87Å; M1-F1347 HydrophobicContact SD-CD1 3.66Å; M1-F1347 HydrophobicContact SD-CE1 3Å; M1-F1347 WeakPolarHBondContact SD-CE1 3.39Å; M1-F1347 HydrophobicContact SD-CE2 4.17Å; M1-F1347 HydrophobicContact SD-CG 4.49Å; M1-F1347 HydrophobicContact SD-CZ 3.31Å; M1-F1347 WeakPolarHBondContact SD-CZ 3.22Å; F1347-L1352 HydrophobicContact CB-CD1 3.64Å; F1347-L1352 HydrophobicContact CB-CG 4.21Å; F1347-L1352 HydrophobicContact CD1-CD1 3.6Å; F1347-L1352 HydrophobicContact CD1-CD2 4.35Å; F1347-L1352 HydrophobicContact CD1-CG 3.48Å; F1347-L1352 VanDerWaalsContact CD1-CG 3.48Å; F1347-L1352 HydrophobicContact CD2-CD1 3.86Å; F1347-L1352 HydrophobicContact CE1-CD1 4Å; F1347-L1352 HydrophobicContact CE1-CD2 4.14Å; F1347-L1352 HydrophobicContact CE1-CG 3.76Å; F1347-L1352 HydrophobicContact CE2-CD1 4.3Å; F1347-L1352 HydrophobicContact CG-CD1 3.47Å; F1347-L1352 VanDerWaalsContact CG-CD1 3.47Å; F1347-L1352 HydrophobicContact CG-CG 3.91Å; F1347-L1352 HydrophobicContact CZ-CD1 4.34Å; F1347-L1352 HydrophobicContact CZ-CG 4.47Å; F1347-I1355 HydrophobicContact CD1-CD1 4.14Å; F1347-I1355 HydrophobicContact CE1-CD1 3.69Å | ||
| 1348 | S | 24.3 | Very low | 26.6 | Very low | 62 Ų | 62 | 47.1 Ų | 47.1 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | trans | -66.8 | 156.5 | 167.1 | 76.6 | 0 | 0 | 0 | 0 | 109.6 | L1350 E1351 | S1348-L1350 PolarHBondContact O-N 2.62Å; S1348-L1350 VanDerWaalsContact O-N 3.08Å; S1348-E1351 WeakPolarHBondContact CA-OE2 3.42Å; S1348-E1351 VanDerWaalsContact CB-OE2 3.32Å; S1348-E1351 WeakPolarHBondContact CB-OE2 3.41Å; S1348-E1351 PolarHBondContact N-OE2 2.93Å; S1348-E1351 PolarHBondContact O-N 2.81Å; S1348-E1351 VanDerWaalsContact O-N 3.16Å; S1348-E1351 VanDerWaalsContact OG-CG 3.29Å; S1348-E1351 WeakPolarHBondContact OG-CG 3.45Å; S1348-E1351 PolarHBondContact OG-OE2 3.42Å | ||
| 1349 | A | 23.4 | Very low | 26.4 | Very low | 15 Ų | 15 | 50.2 Ų | 50.2 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -48.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q462 L463 R476 Y478 E1351 | Q462-A1349 HydrophobicContact CB-CB 4.18Å; L463-A1349 VanDerWaalsContact CB-C 3.46Å; L463-A1349 HydrophobicContact CB-CB 4.15Å; L463-A1349 WeakPolarHBondContact CB-O 3.17Å; L463-A1349 WeakPolarHBondContact CD2-O 3.27Å; R476-A1349 PolarHBondContact NH1-O 2.64Å; Y478-A1349 HydrophobicContact CE1-CB 4.42Å; Y478-A1349 WeakPolarHBondContact OH-CB 3.38Å; A1349-E1351 PolarHBondContact O-N 2.92Å; A1349-E1351 VanDerWaalsContact O-N 3.13Å |
| 1350 | L | 24.4 | Very low | 26.2 | Very low | 60 Ų | 60 | 49.2 Ų | 49.2 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.5 | -172.2 | -88 | 131 | 0 | 0 | 0 | 116.4 | L441 Y457 N461 S1348 | L441-L1350 HydrophobicContact CD1-CD2 4.26Å; L441-L1350 HydrophobicContact CD2-CD2 3.73Å; L441-L1350 HydrophobicContact CG-CD2 4.4Å; Y457-L1350 HydrophobicContact CD1-CD2 3.93Å; Y457-L1350 HydrophobicContact CD1-CG 4.17Å; Y457-L1350 HydrophobicContact CE1-CD2 3.25Å; Y457-L1350 HydrophobicContact CE1-CG 3.71Å; N461-L1350 VanDerWaalsContact O-CD1 3.31Å; N461-L1350 WeakPolarHBondContact O-CD1 3.47Å; S1348-L1350 PolarHBondContact O-N 2.62Å; S1348-L1350 VanDerWaalsContact O-N 3.08Å |
| 1351 | E | 26.6 | Very low | 26.2 | Very low | 20 Ų | 20 | 48.6 Ų | 48.6 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -34 | -156 | -56.7 | 175.6 | 121 | 0 | 0 | 113.8 | M1 T2 S1348 A1349 A1353 E1354 | M1-E1351 WeakPolarHBondContact CA-OE1 3.14Å; M1-E1351 PolarHBondContact N-OE1 2.91Å; M1-E1351 PolarHBondContact N-OE2 2.88Å; M1-E1351 WeakPolarHBondContact O-CB 3.45Å; M1-E1351 WeakPolarHBondContact O-CG 3.43Å; M1-E1351 VanDerWaalsContact O-OE1 3.06Å; T2-E1351 HydrophobicContact CG2-CB 4.05Å; T2-E1351 HydrophobicContact CG2-CG 3.53Å; T2-E1351 PolarHBondContact N-OE1 3.15Å; T2-E1351 PolarHBondContact OG1-OE1 3.21Å; T2-E1351 VanDerWaalsContact OG1-OE1 3.09Å; S1348-E1351 WeakPolarHBondContact CA-OE2 3.42Å; S1348-E1351 VanDerWaalsContact CB-OE2 3.32Å; S1348-E1351 WeakPolarHBondContact CB-OE2 3.41Å; S1348-E1351 PolarHBondContact N-OE2 2.93Å; S1348-E1351 PolarHBondContact O-N 2.81Å; S1348-E1351 VanDerWaalsContact O-N 3.16Å; S1348-E1351 VanDerWaalsContact OG-CG 3.29Å; S1348-E1351 WeakPolarHBondContact OG-CG 3.45Å; S1348-E1351 PolarHBondContact OG-OE2 3.42Å; A1349-E1351 PolarHBondContact O-N 2.92Å; A1349-E1351 VanDerWaalsContact O-N 3.13Å; E1351-A1353 PolarHBondContact O-N 2.94Å; E1351-E1354 PolarHBondContact O-N 2.78Å |
| 1352 | L | 25.3 | Very low | 26.1 | Very low | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.5 | -2.8 | -175.4 | -111.8 | 160.9 | 0 | 0 | 0 | 114.9 | L474 F1347 I1355 Y1356 | L474-L1352 HydrophobicContact CD2-CB 4.04Å; F1347-L1352 HydrophobicContact CB-CD1 3.64Å; F1347-L1352 HydrophobicContact CB-CG 4.21Å; F1347-L1352 HydrophobicContact CD1-CD1 3.6Å; F1347-L1352 HydrophobicContact CD1-CD2 4.35Å; F1347-L1352 HydrophobicContact CD1-CG 3.48Å; F1347-L1352 VanDerWaalsContact CD1-CG 3.48Å; F1347-L1352 HydrophobicContact CD2-CD1 3.86Å; F1347-L1352 HydrophobicContact CE1-CD1 4Å; F1347-L1352 HydrophobicContact CE1-CD2 4.14Å; F1347-L1352 HydrophobicContact CE1-CG 3.76Å; F1347-L1352 HydrophobicContact CE2-CD1 4.3Å; F1347-L1352 HydrophobicContact CG-CD1 3.47Å; F1347-L1352 VanDerWaalsContact CG-CD1 3.47Å; F1347-L1352 HydrophobicContact CG-CG 3.91Å; F1347-L1352 HydrophobicContact CZ-CD1 4.34Å; F1347-L1352 HydrophobicContact CZ-CG 4.47Å; L1352-I1355 HydrophobicContact CD2-CD1 4.02Å; L1352-I1355 HydrophobicContact CG-CD1 4.15Å; L1352-Y1356 HydrophobicContact CD2-CD2 4.41Å |
| 1353 | A | 25.3 | Very low | 25.9 | Very low | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -84.9 | -34.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F455 L463 A466 E1351 I1355 V1357 | F455-A1353 HydrophobicContact CD1-CB 3.22Å; F455-A1353 HydrophobicContact CE1-CB 3.27Å; F455-A1353 HydrophobicContact CG-CB 4.44Å; L463-A1353 HydrophobicContact CD1-CB 3.86Å; L463-A1353 HydrophobicContact CD2-CB 3.75Å; L463-A1353 HydrophobicContact CG-CB 4.46Å; A466-A1353 HydrophobicContact CB-CB 3.22Å; E1351-A1353 PolarHBondContact O-N 2.94Å; A1353-I1355 VanDerWaalsContact C-N 3.32Å; A1353-V1357 VanDerWaalsContact O-CG2 3.24Å; A1353-V1357 WeakPolarHBondContact O-CG2 3.48Å |
| 1354 | E | 27.3 | Very low | 25.8 | Very low | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -78.6 | -21.9 | -179.4 | -65.9 | -171 | 164.8 | 0 | 0 | 111.7 | I445 F455 E1351 | I445-E1354 HydrophobicContact CD1-CG 4.08Å; I445-E1354 WeakPolarHBondContact CD1-OE1 3.23Å; F455-E1354 HydrophobicContact CE1-CB 4.36Å; F455-E1354 HydrophobicContact CE1-CG 3.43Å; F455-E1354 VanDerWaalsContact CE1-CG 3.43Å; F455-E1354 HydrophobicContact CZ-CG 3.6Å; E1351-E1354 PolarHBondContact O-N 2.78Å |
| 1355 | I | 27.3 | Very low | 25.5 | Very low | 34 Ų | 34 | 48.6 Ų | 48.6 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.8 | -44.2 | -175.7 | -45.8 | 170.6 | 0 | 0 | 0 | 111.2 | D1268 F1347 L1352 A1353 V1357 | D1268-I1355 HydrophobicContact CB-CD1 3.77Å; D1268-I1355 HydrophobicContact CB-CG1 3.88Å; D1268-I1355 WeakPolarHBondContact OD1-CD1 3.21Å; F1347-I1355 HydrophobicContact CD1-CD1 4.14Å; F1347-I1355 HydrophobicContact CE1-CD1 3.69Å; L1352-I1355 HydrophobicContact CD2-CD1 4.02Å; L1352-I1355 HydrophobicContact CG-CD1 4.15Å; A1353-I1355 VanDerWaalsContact C-N 3.32Å; I1355-V1357 PolarHBondContact O-N 2.8Å |
| 1356 | Y | 26.2 | Very low | 25.4 | Very low | 75 Ų | 75 | 46.5 Ų | 46.5 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.5 | -19 | -179 | -111.5 | -75.1 | 0 | 0 | 0 | 113.6 | P490 L1352 | P490-Y1356 HydrophobicContact CB-CD1 4.12Å; P490-Y1356 HydrophobicContact CB-CE1 3.91Å; P490-Y1356 VanDerWaalsContact CD-CZ 3.48Å; P490-Y1356 HydrophobicContact CG-CD1 3.58Å; P490-Y1356 HydrophobicContact CG-CD2 3.96Å; P490-Y1356 HydrophobicContact CG-CE1 3.5Å; P490-Y1356 HydrophobicContact CG-CE2 3.9Å; P490-Y1356 HydrophobicContact CG-CG 3.8Å; L1352-Y1356 HydrophobicContact CD2-CD2 4.41Å |
| 1357 | V | 25.9 | Very low | 25.3 | Very low | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.6 | -45.6 | -177.6 | 164.3 | 0 | 0 | 0 | 0 | 112.4 | S453 P469 A1353 I1355 | S453-V1357 WeakPolarHBondContact OG-CG1 3.46Å; S453-V1357 WeakPolarHBondContact OG-CG2 3.3Å; P469-V1357 VanDerWaalsContact CD-CA 3.42Å; P469-V1357 VanDerWaalsContact CD-O 3.24Å; P469-V1357 WeakPolarHBondContact CD-O 3.36Å; P469-V1357 HydrophobicContact CG-CB 4.36Å; P469-V1357 HydrophobicContact CG-CG1 3.61Å; P469-V1357 WeakPolarHBondContact CG-O 3.27Å; A1353-V1357 VanDerWaalsContact O-CG2 3.24Å; A1353-V1357 WeakPolarHBondContact O-CG2 3.48Å; I1355-V1357 PolarHBondContact O-N 2.8Å |
| 1358 | K | 25.6 | Very low | 25.5 | Very low | 130 Ų | 130 | 43.5 Ų | 43.5 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -78.2 | -29.5 | -176.7 | -71.5 | 178 | 175.9 | 172.8 | 0 | 111.6 | R1360 Y1361 G1362 | K1358-R1360 PolarHBondContact O-N 3.14Å; K1358-Y1361 PolarHBondContact O-N 2.69Å; K1358-G1362 PolarHBondContact O-N 2.75Å; K1358-G1362 VanDerWaalsContact O-N 3.09Å |
| 1359 | N | 26.1 | Very low | 25.6 | Very low | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 8.9 | -163 | -73.1 | 9.9 | 0 | 0 | 0 | 116.8 | Y1272 | Y1272-N1359 VanDerWaalsContact CD2-ND2 3.32Å; Y1272-N1359 WeakPolarHBondContact CD2-ND2 3.23Å; Y1272-N1359 VanDerWaalsContact CE2-ND2 3.29Å; Y1272-N1359 WeakPolarHBondContact CE2-ND2 3.41Å |
| 1360 | R | 27.1 | Very low | 25.7 | Very low | 49 Ų | 49 | 45.1 Ų | 45.1 | 19% | 0.185 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 1.6 | 158.7 | -66.7 | -159.9 | -178.8 | -177 | 4.2 | 114.1 | D470 K736 G737 K1358 | D470-R1360 WeakPolarHBondContact OD2-CD 3.37Å; K736-R1360 PolarHBondContact O-NH1 3.35Å; G737-R1360 PolarHBondContact O-NH1 2.86Å; K1358-R1360 PolarHBondContact O-N 3.14Å |
| 1361 | Y | 26.4 | Very low | 25.7 | Very low | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | 13.6 | -171.5 | -63 | -58.3 | 0 | 0 | 0 | 116.4 | P469 D470 R693 R712 G713 W714 K1358 | P469-Y1361 HydrophobicContact CB-CD2 3.67Å; P469-Y1361 HydrophobicContact CB-CE2 3.97Å; P469-Y1361 HydrophobicContact CB-CG 4.46Å; P469-Y1361 HydrophobicContact CG-CD2 4.11Å; D470-Y1361 WeakPolarHBondContact CA-OH 3.45Å; D470-Y1361 HydrophobicContact CB-CE2 3.55Å; D470-Y1361 WeakPolarHBondContact CB-OH 3.37Å; R693-Y1361 VanDerWaalsContact CD-O 3.25Å; R693-Y1361 WeakPolarHBondContact CD-O 3.29Å; R693-Y1361 VanDerWaalsContact CG-O 3.3Å; R693-Y1361 WeakPolarHBondContact CG-O 3.38Å; R712-Y1361 HydrophobicContact CB-CE1 4.32Å; R712-Y1361 VanDerWaalsContact CB-OH 3.31Å; R712-Y1361 WeakPolarHBondContact CB-OH 3.21Å; R712-Y1361 VanDerWaalsContact O-CD1 3.26Å; R712-Y1361 WeakPolarHBondContact O-CD1 3.32Å; R712-Y1361 WeakPolarHBondContact O-CE1 3.38Å; R712-Y1361 PolarHBondContact O-OH 3.49Å; G713-Y1361 WeakPolarHBondContact O-CD1 3.19Å; W714-Y1361 AromaticContact CD1-CE1 3.32Å; W714-Y1361 AromaticContact CD1-CZ 3.56Å; W714-Y1361 HydrophobicContact CG-CE1 4.09Å; W714-Y1361 AromaticContact NE1-CE1 3.71Å; W714-Y1361 AromaticContact NE1-CZ 3.4Å; W714-Y1361 PolarHBondContact NE1-OH 2.86Å; K1358-Y1361 PolarHBondContact O-N 2.69Å |
| 1362 | G | 25.9 | Very low | 25.7 | Very low | 42 Ų | 42 | 43.7 Ų | 43.7 | 43% | 0.433 | 22% | 0.22 | S | C | . | . | trans | -119.7 | 30 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1358 D1364 | K1358-G1362 PolarHBondContact O-N 2.75Å; K1358-G1362 VanDerWaalsContact O-N 3.09Å; G1362-D1364 PolarHBondContact O-N 3.47Å | ||
| 1363 | Q | 24.2 | Very low | 25.8 | Very low | 97 Ų | 97 | 44.2 Ų | 44.2 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | trans | -70.2 | 119.4 | 160.9 | -97.3 | -167.8 | -19.1 | 0 | 0 | 107.9 | Y709 | Y709-Q1363 VanDerWaalsContact CE1-O 3.27Å; Y709-Q1363 WeakPolarHBondContact CE1-O 3.46Å; Y709-Q1363 PolarHBondContact OH-O 3.5Å; Y709-Q1363 VanDerWaalsContact OH-O 3.11Å | ||
| 1364 | D | 24.1 | Very low | 25.7 | Very low | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 84.4 | 121.3 | -178.5 | -41.1 | -71 | 0 | 0 | 0 | 116 | R693 L694 W707 Y709 G1362 | R693-D1364 CarbonylContact C-O 3.45Å; R693-D1364 WeakPolarHBondContact CA-O 3.38Å; L694-D1364 HydrophobicContact CB-CB 3.31Å; L694-D1364 HydrophobicContact CD2-CB 4.32Å; L694-D1364 HydrophobicContact CG-CB 4.45Å; L694-D1364 PolarHBondContact N-O 3.23Å; W707-D1364 VanDerWaalsContact CD1-OD1 3.27Å; W707-D1364 HydrophobicContact CG-CB 4.43Å; W707-D1364 PolarHBondContact NE1-OD1 3.03Å; W707-D1364 PolarHBondContact NE1-OD2 2.87Å; Y709-D1364 WeakPolarHBondContact OH-CB 3.14Å; Y709-D1364 PolarHBondContact OH-OD2 2.85Å; G1362-D1364 PolarHBondContact O-N 3.47Å |
| 1365 | A | 24 | Very low | 25.5 | Very low | 17 Ų | 17 | 46.4 Ų | 46.4 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | trans | 61.2 | 95.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | Y688 L694 | Y688-A1365 HydrophobicContact CD1-CB 3.71Å; Y688-A1365 VanDerWaalsContact CD1-O 3.23Å; Y688-A1365 WeakPolarHBondContact CD1-O 3.37Å; Y688-A1365 HydrophobicContact CE1-CB 3.28Å; Y688-A1365 WeakPolarHBondContact CE1-O 3.45Å; L694-A1365 HydrophobicContact CB-CB 3.44Å; L694-A1365 VanDerWaalsContact CB-CB 3.44Å; L694-A1365 HydrophobicContact CD1-CB 3.59Å; L694-A1365 HydrophobicContact CD2-CB 4.05Å; L694-A1365 HydrophobicContact CG-CB 3.85Å | ||
| 1366 | A | 24.2 | Very low | 25.2 | Very low | 19 Ų | 19 | 47.4 Ų | 47.4 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | S | Bend | -157.3 | 36.2 | 115.9 | 0 | 0 | 0 | 0 | 0 | 116 | K673 Y688 T1378 | K673-A1366 HydrophobicContact CD-CB 3.96Å; K673-A1366 HydrophobicContact CG-CB 3.88Å; Y688-A1366 HydrophobicContact CE1-CB 4.01Å; A1366-T1378 HydrophobicContact CB-CG2 4.42Å; A1366-T1378 WeakPolarHBondContact O-CG2 3.44Å | |
| 1367 | E | 24.2 | Very low | 25 | Very low | 46 Ų | 46 | 45.8 Ų | 45.8 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | trans | -167.3 | 72.7 | 155.8 | -107.6 | 162.9 | -148 | 0 | 0 | 107.5 | E1369 L1377 T1378 T1379 | E1367-E1369 VanDerWaalsContact C-N 3.31Å; E1367-E1369 PolarHBondContact O-N 3.43Å; E1367-L1377 HydrophobicContact CB-CB 3.87Å; E1367-L1377 HydrophobicContact CB-CD1 4.26Å; E1367-L1377 HydrophobicContact CB-CG 4.44Å; E1367-L1377 WeakPolarHBondContact O-CB 3.28Å; E1367-L1377 WeakPolarHBondContact O-CD1 3.48Å; E1367-T1378 HydrophobicContact CB-CG2 4.04Å; E1367-T1378 VanDerWaalsContact OE2-CA 3.23Å; E1367-T1378 WeakPolarHBondContact OE2-CA 3.38Å; E1367-T1379 PolarHBondContact OE2-N 2.79Å; E1367-T1379 PolarHBondContact OE2-OG1 2.85Å | ||
| 1368 | E | 26.9 | Very low | 24.9 | Very low | 39 Ų | 39 | 47.9 Ų | 47.9 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | trans | -88.7 | 77.1 | 156.3 | -104.4 | -158 | 140 | 0 | 0 | 106.4 | L674 W686 R697 K1370 | L674-E1368 VanDerWaalsContact CD2-O 3.22Å; L674-E1368 WeakPolarHBondContact CD2-O 3.4Å; W686-E1368 PolarHBondContact NE1-OE2 3.43Å; R697-E1368 IonicContact CZ-OE2 2.77Å; R697-E1368 IonicContact NH1-OE1 2.69Å; R697-E1368 PolarHBondContact NH1-OE1 2.82Å; R697-E1368 IonicContact NH1-OE2 2.73Å; R697-E1368 PolarHBondContact NH1-OE2 3.38Å; E1368-K1370 PolarHBondContact O-N 2.78Å | ||
| 1369 | E | 27.5 | Very low | 24.6 | Very low | 89 Ų | 89 | 43.8 Ų | 43.8 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | trans | -66.9 | 107.6 | 167.5 | -78.6 | -156.9 | 143.6 | 0 | 0 | 108.8 | E1367 | E1367-E1369 VanDerWaalsContact C-N 3.31Å; E1367-E1369 PolarHBondContact O-N 3.43Å | ||
| 1370 | K | 25.7 | Very low | 24.4 | Very low | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 76.2 | 148.3 | -179.6 | -41.1 | -174.8 | -167.4 | -172.7 | 0 | 112.7 | E656 Y666 E1368 | E656-K1370 WeakPolarHBondContact OE1-CE 3.5Å; E656-K1370 IonicContact OE1-NZ 3.72Å; E656-K1370 PolarHBondContact OE1-NZ 2.76Å; E656-K1370 IonicContact OE2-NZ 3.16Å; E656-K1370 PolarHBondContact OE2-NZ 3.04Å; Y666-K1370 HydrophobicContact CE1-CG 4.02Å; Y666-K1370 WeakPolarHBondContact OH-CD 3.28Å; Y666-K1370 WeakPolarHBondContact OH-CG 3.34Å; E1368-K1370 PolarHBondContact O-N 2.78Å |
| 1371 | P | 23.7 | Very low | 24.2 | Very low | 17 Ų | 17 | 45.9 Ų | 45.9 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -77.9 | 134.1 | -167 | 32.8 | -35.9 | 0 | 0 | 0 | 111.8 | ||
| 1372 | Y | 26.8 | Very low | 24 | Very low | 32 Ų | 32 | 47.9 Ų | 47.9 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | trans | 77.8 | 62.2 | 176.4 | -38.3 | -74 | 0 | 0 | 0 | 116.4 | Q961 P1211 | Q961-Y1372 VanDerWaalsContact CA-OH 3.24Å; Q961-Y1372 WeakPolarHBondContact CA-OH 3.41Å; Q961-Y1372 HydrophobicContact CB-CE1 4.14Å; Q961-Y1372 HydrophobicContact CB-CE2 4.23Å; Q961-Y1372 WeakPolarHBondContact CB-OH 3.25Å; Q961-Y1372 VanDerWaalsContact CG-OH 3.26Å; Q961-Y1372 WeakPolarHBondContact CG-OH 3.4Å; Q961-Y1372 PolarHBondContact NE2-OH 2.97Å; Q961-Y1372 WeakPolarHBondContact O-CE2 3.09Å; P1211-Y1372 WeakPolarHBondContact CB-O 2.98Å | ||
| 1373 | E | 27.7 | Very low | 24 | Very low | 35 Ų | 35 | 46.9 Ų | 46.9 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | trans | -99 | 131 | 156.6 | -73.1 | -136.7 | 98.3 | 0 | 0 | 110.9 | I1212 K1215 | I1212-E1373 HydrophobicContact CB-CG 4.22Å; I1212-E1373 VanDerWaalsContact CB-OE1 3.28Å; I1212-E1373 WeakPolarHBondContact CB-OE1 3.47Å; I1212-E1373 HydrophobicContact CG2-CG 3.84Å; I1212-E1373 WeakPolarHBondContact CG2-OE1 3.37Å; K1215-E1373 WeakPolarHBondContact CD-OE1 3.29Å; K1215-E1373 WeakPolarHBondContact CE-OE1 3.44Å; K1215-E1373 IonicContact NZ-OE1 3.32Å; K1215-E1373 PolarHBondContact NZ-OE1 2.84Å; K1215-E1373 IonicContact NZ-OE2 3.03Å; K1215-E1373 PolarHBondContact NZ-OE2 2.92Å | ||
| 1374 | I | 22.5 | Very low | 24 | Very low | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | trans | -68.1 | 128 | 157.4 | -76.2 | 173 | 0 | 0 | 0 | 107 | D1021 H1196 L1234 | D1021-I1374 WeakPolarHBondContact OD1-CD1 3.22Å; H1196-I1374 WeakPolarHBondContact NE2-CD1 3.28Å; L1234-I1374 HydrophobicContact CD1-CD1 4.2Å; L1234-I1374 HydrophobicContact CD2-CD1 3.95Å | ||
| 1375 | T | 22.5 | Very low | 24.2 | Very low | 75 Ų | 75 | 40.4 Ų | 40.4 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 1.5 | 125.8 | 160.9 | 54.8 | 0 | 0 | 0 | 0 | 115.3 | S1280 | S1280-T1375 PolarHBondContact OG-O 3.01Š|
| 1376 | E | 22.1 | Very low | 24.4 | Very low | 54 Ų | 54 | 41.9 Ų | 41.9 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | cis | -153 | 160.7 | 32.6 | -57.4 | 161.2 | 93.7 | 0 | 0 | 110 | N1276 N1279 | N1276-E1376 HydrophobicContact CB-CB 3.47Å; N1276-E1376 VanDerWaalsContact CB-CB 3.47Å; N1276-E1376 HydrophobicContact CB-CG 4.44Å; N1276-E1376 WeakPolarHBondContact CB-O 3.15Å; N1276-E1376 WeakPolarHBondContact ND2-CB 3.32Å; N1276-E1376 WeakPolarHBondContact OD1-CB 3.09Å; N1276-E1376 VanDerWaalsContact OD1-CD 3.23Å; N1276-E1376 PolarHBondContact OD1-OE1 2.88Å; N1279-E1376 PolarHBondContact ND2-OE2 2.92Å | ||
| 1377 | L | 22.5 | Very low | 24.6 | Very low | 42 Ų | 42 | 45.6 Ų | 45.6 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | trans | -158.6 | 145.1 | 178 | -104.5 | 167.6 | 0 | 0 | 0 | 112.1 | N1276 E1367 | N1276-L1377 PolarHBondContact ND2-N 3.29Å; E1367-L1377 HydrophobicContact CB-CB 3.87Å; E1367-L1377 HydrophobicContact CB-CD1 4.26Å; E1367-L1377 HydrophobicContact CB-CG 4.44Å; E1367-L1377 WeakPolarHBondContact O-CB 3.28Å; E1367-L1377 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1378 | T | 22.8 | Very low | 24.9 | Very low | 51 Ų | 51 | 49.6 Ų | 49.6 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | trans | -179.1 | 137.2 | 135.7 | 18.1 | 0 | 0 | 0 | 0 | 113.9 | A1366 E1367 | A1366-T1378 HydrophobicContact CB-CG2 4.42Å; A1366-T1378 WeakPolarHBondContact O-CG2 3.44Å; E1367-T1378 HydrophobicContact CB-CG2 4.04Å; E1367-T1378 VanDerWaalsContact OE2-CA 3.23Å; E1367-T1378 WeakPolarHBondContact OE2-CA 3.38Å | ||
| 1379 | T | 20.2 | Very low | 25 | Very low | 44 Ų | 44 | 52.4 Ų | 52.4 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | trans | -119.4 | 147.4 | 174.6 | -36.6 | 0 | 0 | 0 | 0 | 111.7 | F1264 E1367 | F1264-T1379 HydrophobicContact CD1-CG2 4.03Å; F1264-T1379 HydrophobicContact CE1-CG2 3.77Å; E1367-T1379 PolarHBondContact OE2-N 2.79Å; E1367-T1379 PolarHBondContact OE2-OG1 2.85Å | ||
| 1380 | S | 21.9 | Very low | 25 | Very low | 56 Ų | 56 | 54.8 Ų | 54.8 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | trans | 59.8 | 126 | 156.8 | 62.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1381 | W | 23.3 | Very low | 25.2 | Very low | 111 Ų | 111 | 62.7 Ų | 62.7 | 42% | 0.42 | 33% | 0.333 | S | S | . | . | trans | -140.1 | 143.1 | 157.4 | -79.7 | 109.6 | 0 | 0 | 0 | 111.4 | T671 K673 | T671-W1381 VanDerWaalsContact CA-CH2 3.49Å; T671-W1381 HydrophobicContact CG2-CH2 4.49Å; T671-W1381 WeakPolarHBondContact O-CH2 3.47Å; T671-W1381 WeakPolarHBondContact O-CZ3 3.29Å; T671-W1381 WeakPolarHBondContact OG1-CH2 3.28Å; K673-W1381 HydrophobicContact CG-CH2 4.42Å; K673-W1381 HydrophobicContact CG-CZ2 4.11Å | ||
| 1382 | V | 22.4 | Very low | 25.2 | Very low | 49 Ų | 49 | 69.2 Ų | 69.2 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | trans | -140.1 | 98.1 | -162.9 | 178.4 | 0 | 0 | 0 | 0 | 115 | K402 H404 T410 | K402-V1382 HydrophobicContact CD-CG1 4.22Å; H404-V1382 WeakPolarHBondContact CE1-CB 3.38Å; H404-V1382 WeakPolarHBondContact CE1-CG1 3.4Å; H404-V1382 PolarHBondContact CE1-O 2.8Å; H404-V1382 PolarHBondContact NE2-O 2.65Å; T410-V1382 WeakPolarHBondContact CB-O 3.06Å; T410-V1382 WeakPolarHBondContact CG2-O 3.05Å; T410-V1382 PolarHBondContact OG1-O 2.89Å | ||
| 1383 | V | 25.1 | Very low | 25.4 | Very low | 21 Ų | 21 | 70.5 Ų | 70.5 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | 116.1 | -141.8 | 127 | -175.8 | 0 | 0 | 0 | 0 | 124.5 | K402 Q411 S412 | K402-V1383 HydrophobicContact CB-CB 4.12Å; K402-V1383 HydrophobicContact CB-CG1 3.59Å; K402-V1383 HydrophobicContact CD-CB 3.84Å; K402-V1383 HydrophobicContact CD-CG1 3.58Å; K402-V1383 HydrophobicContact CD-CG2 4.42Å; K402-V1383 HydrophobicContact CG-CG1 4.22Å; Q411-V1383 CarbonylContact C-O 3.53Å; S412-V1383 PolarHBondContact OG-O 2.84Å | |||
| 1384 | E | 24.6 | Very low | 25.5 | Very low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | trans | -133.6 | 160.9 | -134.7 | -75.5 | 159.2 | 143.4 | 0 | 0 | 119.7 | Q10 V399 K401 K402 T410 Q411 S412 | Q10-E1384 PolarHBondContact NE2-OE1 3.25Å; V399-E1384 HydrophobicContact CB-CB 4.39Å; V399-E1384 VanDerWaalsContact CB-CD 3.42Å; V399-E1384 HydrophobicContact CB-CG 4.39Å; V399-E1384 WeakPolarHBondContact CB-OE2 3.39Å; V399-E1384 HydrophobicContact CG1-CB 4.18Å; V399-E1384 WeakPolarHBondContact CG1-OE2 3.33Å; V399-E1384 VanDerWaalsContact O-CB 3.29Å; V399-E1384 WeakPolarHBondContact O-CB 3.37Å; V399-E1384 VanDerWaalsContact O-CG 3.31Å; V399-E1384 WeakPolarHBondContact O-CG 3.33Å; K401-E1384 CarbonylContact C-O 3.59Å; K401-E1384 VanDerWaalsContact C-O 3.29Å; K401-E1384 WeakPolarHBondContact CA-O 3.08Å; K402-E1384 PolarHBondContact N-O 2.85Å; T410-E1384 CarbonylContact C-O 3.54Å; T410-E1384 PolarHBondContact OG1-N 3.48Å; Q411-E1384 VanDerWaalsContact C-C 3.49Å; Q411-E1384 VanDerWaalsContact CA-O 3.27Å; Q411-E1384 WeakPolarHBondContact CA-O 3.49Å; S412-E1384 WeakPolarHBondContact OG-CA 3.44Å | ||
| 1385 | G | 27.5 | Very low | 26.2 | Very low | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.01 | 42% | 0.421 | C | S | . | . | trans | -122.5 | -71.9 | -150 | 0 | 0 | 0 | 0 | 0 | 132.8 | V400 Q411 S412 | V400-G1385 CarbonylContact O-C 3.32Å; V400-G1385 WeakPolarHBondContact O-CA 3.39Å; Q411-G1385 VanDerWaalsContact CA-CA 3.49Å; Q411-G1385 VanDerWaalsContact CB-CA 3.48Å; Q411-G1385 PolarHBondContact NE2-O 3.06Å; S412-G1385 VanDerWaalsContact O-CA 3.31Å; S412-G1385 WeakPolarHBondContact O-CA 3.49Å; S412-G1385 PolarHBondContact O-N 3.43Å | ||
| 1386 | T | 28 | Very low | 26.7 | Very low | 47 Ų | 47 | 79.5 Ų | 79.5 | 29% | 0.288 | 42% | 0.421 | S | S | . | . | trans | 75.2 | 172.1 | 177.3 | 48.5 | 0 | 0 | 0 | 0 | 125.5 | Q391 V400 | Q391-T1386 HydrophobicContact CB-CG2 3.8Å; V400-T1386 HydrophobicContact CB-CG2 3.38Å; V400-T1386 HydrophobicContact CG1-CG2 4.38Å; V400-T1386 HydrophobicContact CG2-CG2 3.2Å; V400-T1386 WeakPolarHBondContact O-CB 3.46Å; V400-T1386 VanDerWaalsContact O-CG2 3.29Å; V400-T1386 WeakPolarHBondContact O-CG2 3.2Å; V400-T1386 PolarHBondContact O-N 3.1Å; V400-T1386 PolarHBondContact O-OG1 2.94Å | ||
| 1387 | I | 28.7 | Very low | 27.6 | Very low | 98 Ų | 98 | 84.7 Ų | 84.7 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | cis | -146.5 | 176 | -2.8 | -19.8 | 162.3 | 0 | 0 | 0 | 113.3 | ||||
| 1388 | H | 29.9 | Very low | 28.5 | Very low | 130 Ų | 130 | 87.2 Ų | 87.2 | 60% | 0.602 | 46% | 0.459 | S | S | * | . | trans | 71.6 | 164.9 | 152.3 | -77.1 | -50.5 | 0 | 0 | 0 | 120.6 | D1390 | H1388-D1390 IonicContact ND1-OD2 3.35Š| ||
| 1389 | S | 29.3 | Very low | 28.9 | Very low | 97 Ų | 97 | 87.5 Ų | 87.5 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | cis | -168.2 | 178.1 | -23.5 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1390 | D | 27 | Very low | 29.9 | Very low | 139 Ų | 139 | 89.9 Ų | 89.9 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | -167.2 | 109.3 | -53.4 | -76.4 | -42.4 | 0 | 0 | 0 | 112.3 | H1388 | H1388-D1390 IonicContact ND1-OD2 3.35Š| |||
| 1391 | Q | 29.8 | Very low | 31.1 | Very low | 188 Ų | 188 | 92 Ų | 92 | 88% | 0.879 | 47% | 0.473 | S | S | * | . | trans | -161.7 | 112.6 | 166 | -117.3 | -172.3 | 3.8 | 0 | 0 | 116.8 | ||||
| 1392 | I | 25 | Very low | 32.2 | Very low | 155 Ų | 155 | 90.8 Ų | 90.8 | 80% | 0.795 | 47% | 0.471 | S | S | * | . | trans | 44.9 | 109.4 | 142.6 | -48 | 168.2 | 0 | 0 | 0 | 122.7 | ||||
| 1393 | A | 30.5 | Very low | 33.3 | Very low | 59 Ų | 59 | 89.8 Ų | 89.8 | 49% | 0.488 | 47% | 0.471 | S | S | . | . | trans | -170.2 | 125.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | I1399 | A1393-I1399 HydrophobicContact CB-CD1 4.34Å; A1393-I1399 HydrophobicContact CB-CG1 3.97Å | ||
| 1394 | E | 29.4 | Very low | 34.5 | Very low | 185 Ų | 185 | 94.2 Ų | 94.2 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | trans | -106.7 | -2.4 | -160.2 | -66.6 | -162 | 158 | 0 | 0 | 117.5 | ||||
| 1395 | G | 37.4 | Very low | 35.6 | Very low | 24 Ų | 24 | 99 Ų | 99 | 25% | 0.247 | 52% | 0.519 | C | S | . | . | trans | -152.1 | 159.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | D1398 I1399 | G1395-D1398 WeakPolarHBondContact CA-OD2 3.35Å; G1395-D1398 PolarHBondContact N-OD2 2.85Å; G1395-D1398 VanDerWaalsContact N-OD2 3.08Å; G1395-D1398 PolarHBondContact O-N 2.86Å; G1395-I1399 VanDerWaalsContact O-CG1 3.28Å; G1395-I1399 WeakPolarHBondContact O-CG1 3.41Å; G1395-I1399 PolarHBondContact O-N 2.8Å | ||
| 1396 | W | 34.3 | Very low | 36.6 | Very low | 118 Ų | 118 | 102.7 Ų | 102.7 | 45% | 0.447 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 172 | -79.8 | 106.2 | 0 | 0 | 0 | 111.7 | D1398 I1399 E1400 C1432 | W1396-D1398 VanDerWaalsContact C-N 3.31Å; W1396-I1399 PolarHBondContact O-N 2.71Å; W1396-I1399 VanDerWaalsContact O-N 3.15Å; W1396-E1400 PolarHBondContact O-N 3.41Å; W1396-C1432 HydrophobicContact CH2-CB 4.11Å; W1396-C1432 HydrophobicContact CZ3-CB 3.73Å |
| 1397 | E | 40.7 | Very low | 37.7 | Very low | 164 Ų | 164 | 105.3 Ų | 105.3 | 77% | 0.766 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 169.8 | -70.1 | 175.6 | 153.8 | 0 | 0 | 110.5 | I1399 E1400 D1401 | E1397-I1399 VanDerWaalsContact C-N 3.29Å; E1397-I1399 PolarHBondContact O-N 3.22Å; E1397-E1400 PolarHBondContact O-N 2.91Å; E1397-D1401 WeakPolarHBondContact O-CB 3.17Å; E1397-D1401 PolarHBondContact O-N 3.04Å |
| 1398 | D | 40 | Very low | 38.6 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.1 | -29.5 | 173.7 | -60.8 | -59.1 | 0 | 0 | 0 | 113.1 | G1395 W1396 F1402 | G1395-D1398 WeakPolarHBondContact CA-OD2 3.35Å; G1395-D1398 PolarHBondContact N-OD2 2.85Å; G1395-D1398 VanDerWaalsContact N-OD2 3.08Å; G1395-D1398 PolarHBondContact O-N 2.86Å; W1396-D1398 VanDerWaalsContact C-N 3.31Å; D1398-F1402 WeakPolarHBondContact O-CA 2.87Å; D1398-F1402 WeakPolarHBondContact O-CB 3.39Å; D1398-F1402 PolarHBondContact O-N 2.89Å |
| 1399 | I | 32.9 | Very low | 39.5 | Very low | 58 Ų | 58 | 102.5 Ų | 102.5 | 30% | 0.297 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -84.1 | -35 | 178.7 | -69.7 | 166 | 0 | 0 | 0 | 111.7 | A1393 G1395 W1396 E1397 G1403 C1432 | A1393-I1399 HydrophobicContact CB-CD1 4.34Å; A1393-I1399 HydrophobicContact CB-CG1 3.97Å; G1395-I1399 VanDerWaalsContact O-CG1 3.28Å; G1395-I1399 WeakPolarHBondContact O-CG1 3.41Å; G1395-I1399 PolarHBondContact O-N 2.8Å; W1396-I1399 PolarHBondContact O-N 2.71Å; W1396-I1399 VanDerWaalsContact O-N 3.15Å; E1397-I1399 VanDerWaalsContact C-N 3.29Å; E1397-I1399 PolarHBondContact O-N 3.22Å; I1399-G1403 PolarHBondContact O-N 2.98Å; I1399-C1432 HydrophobicContact CG2-CB 4.3Å |
| 1400 | E | 41 | Very low | 40.4 | Very low | 93 Ų | 93 | 101.3 Ų | 101.3 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.5 | -45.6 | 170.3 | -105.7 | -168 | 132 | 0 | 0 | 111.1 | W1396 E1397 F1402 G1403 E1404 K1437 | W1396-E1400 PolarHBondContact O-N 3.41Å; E1397-E1400 PolarHBondContact O-N 2.91Å; E1400-F1402 VanDerWaalsContact C-N 3.3Å; E1400-F1402 PolarHBondContact O-N 2.97Å; E1400-G1403 CarbonylContact O-C 3.45Å; E1400-G1403 PolarHBondContact O-N 3.33Å; E1400-G1403 VanDerWaalsContact O-N 3.14Å; E1400-E1404 WeakPolarHBondContact O-CB 3.48Å; E1400-E1404 WeakPolarHBondContact O-CG 3.13Å; E1400-E1404 PolarHBondContact O-N 3.31Å; E1400-K1437 IonicContact OE1-NZ 3.7Å; E1400-K1437 PolarHBondContact OE1-NZ 3.12Å |
| 1401 | D | 47 | Very low | 41.5 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 170 | -91.4 | -0.7 | 0 | 0 | 0 | 110.2 | E1397 E1404 T1405 | E1397-D1401 WeakPolarHBondContact O-CB 3.17Å; E1397-D1401 PolarHBondContact O-N 3.04Å; D1401-E1404 PolarHBondContact O-N 3.21Å; D1401-T1405 WeakPolarHBondContact O-CA 3.44Å; D1401-T1405 WeakPolarHBondContact O-CB 3.37Å; D1401-T1405 VanDerWaalsContact O-CG2 3.27Å; D1401-T1405 WeakPolarHBondContact O-CG2 3.31Å; D1401-T1405 PolarHBondContact O-N 2.94Å; D1401-T1405 PolarHBondContact O-OG1 2.71Å |
| 1402 | F | 45.1 | Very low | 42.3 | Very low | 86 Ų | 86 | 96.1 Ų | 96.1 | 38% | 0.377 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.6 | -174.2 | -90.1 | 0 | 0 | 0 | 111.2 | D1398 E1400 E1404 H1406 F1409 | D1398-F1402 WeakPolarHBondContact O-CA 2.87Å; D1398-F1402 WeakPolarHBondContact O-CB 3.39Å; D1398-F1402 PolarHBondContact O-N 2.89Å; E1400-F1402 VanDerWaalsContact C-N 3.3Å; E1400-F1402 PolarHBondContact O-N 2.97Å; F1402-E1404 PolarHBondContact O-N 2.77Å; F1402-H1406 HydrophobicContact CD1-CB 4.5Å; F1402-H1406 AromaticContact CD2-CD2 3.89Å; F1402-H1406 AromaticContact CD2-CE1 3.31Å; F1402-H1406 WeakPolarHBondContact CD2-CE1 3.32Å; F1402-H1406 AromaticContact CD2-CG 3.82Å; F1402-H1406 AromaticContact CD2-ND1 3.44Å; F1402-H1406 WeakPolarHBondContact CD2-ND1 3.33Å; F1402-H1406 AromaticContact CD2-NE2 3.62Å; F1402-H1406 HydrophobicContact CE1-CB 4.4Å; F1402-H1406 AromaticContact CE2-CD2 3.44Å; F1402-H1406 VanDerWaalsContact CE2-CD2 3.44Å; F1402-H1406 WeakPolarHBondContact CE2-CD2 3.42Å; F1402-H1406 AromaticContact CE2-CE1 3.61Å; F1402-H1406 AromaticContact CE2-CG 3.76Å; F1402-H1406 AromaticContact CE2-ND1 3.84Å; F1402-H1406 AromaticContact CE2-NE2 3.37Å; F1402-H1406 WeakPolarHBondContact CE2-NE2 3.4Å; F1402-H1406 AromaticContact CG-ND1 3.78Å; F1402-H1406 HydrophobicContact CZ-CB 4.46Å; F1402-H1406 AromaticContact CZ-CD2 3.83Å; F1402-H1406 WeakPolarHBondContact O-CA 3.37Å; F1402-H1406 WeakPolarHBondContact O-CB 3.2Å; F1402-H1406 PolarHBondContact O-N 2.95Å; F1402-H1406 PolarHBondContact O-ND1 2.89Å; F1402-H1406 VanDerWaalsContact O-ND1 3.13Å; F1402-F1409 AromaticContact CE1-CD1 3.63Å; F1402-F1409 HydrophobicContact CE1-CD1 3.63Å; F1402-F1409 AromaticContact CE1-CE1 3.66Å; F1402-F1409 HydrophobicContact CE1-CE1 3.66Å; F1402-F1409 HydrophobicContact CE1-CG 4.3Å; F1402-F1409 HydrophobicContact CE1-CZ 4.35Å; F1402-F1409 HydrophobicContact CZ-CD1 4.16Å; F1402-F1409 HydrophobicContact CZ-CE1 4.24Å; F1402-F1409 HydrophobicContact CZ-CG 4.41Å |
| 1403 | G | 45.9 | Very low | 43.4 | Very low | 29 Ų | 29 | 91.5 Ų | 91.5 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1399 E1400 | I1399-G1403 PolarHBondContact O-N 2.98Å; E1400-G1403 CarbonylContact O-C 3.45Å; E1400-G1403 PolarHBondContact O-N 3.33Å; E1400-G1403 VanDerWaalsContact O-N 3.14Å |
| 1404 | E | 51.2 | Low | 44.1 | Very low | 113 Ų | 113 | 91.9 Ų | 91.9 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -82.2 | -37.1 | 180 | -69 | -166.7 | 178.4 | 0 | 0 | 112.8 | E1400 D1401 F1402 K1437 | E1400-E1404 WeakPolarHBondContact O-CB 3.48Å; E1400-E1404 WeakPolarHBondContact O-CG 3.13Å; E1400-E1404 PolarHBondContact O-N 3.31Å; D1401-E1404 PolarHBondContact O-N 3.21Å; F1402-E1404 PolarHBondContact O-N 2.77Å; E1404-K1437 IonicContact OE1-NZ 3.13Å; E1404-K1437 PolarHBondContact OE1-NZ 2.81Å |
| 1405 | T | 46.2 | Very low | 44.9 | Very low | 101 Ų | 101 | 89.5 Ų | 89.5 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -83.1 | -27.1 | 177.9 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | D1401 | D1401-T1405 WeakPolarHBondContact O-CA 3.44Å; D1401-T1405 WeakPolarHBondContact O-CB 3.37Å; D1401-T1405 VanDerWaalsContact O-CG2 3.27Å; D1401-T1405 WeakPolarHBondContact O-CG2 3.31Å; D1401-T1405 PolarHBondContact O-N 2.94Å; D1401-T1405 PolarHBondContact O-OG1 2.71Å |
| 1406 | H | 48.7 | Very low | 45.2 | Very low | 78 Ų | 78 | 92.3 Ų | 92.3 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 44.9 | 177.1 | -52.3 | 58.8 | 0 | 0 | 0 | 111.2 | F1402 D1408 F1409 L1410 | F1402-H1406 HydrophobicContact CD1-CB 4.5Å; F1402-H1406 AromaticContact CD2-CD2 3.89Å; F1402-H1406 AromaticContact CD2-CE1 3.31Å; F1402-H1406 WeakPolarHBondContact CD2-CE1 3.32Å; F1402-H1406 AromaticContact CD2-CG 3.82Å; F1402-H1406 AromaticContact CD2-ND1 3.44Å; F1402-H1406 WeakPolarHBondContact CD2-ND1 3.33Å; F1402-H1406 AromaticContact CD2-NE2 3.62Å; F1402-H1406 HydrophobicContact CE1-CB 4.4Å; F1402-H1406 AromaticContact CE2-CD2 3.44Å; F1402-H1406 VanDerWaalsContact CE2-CD2 3.44Å; F1402-H1406 WeakPolarHBondContact CE2-CD2 3.42Å; F1402-H1406 AromaticContact CE2-CE1 3.61Å; F1402-H1406 AromaticContact CE2-CG 3.76Å; F1402-H1406 AromaticContact CE2-ND1 3.84Å; F1402-H1406 AromaticContact CE2-NE2 3.37Å; F1402-H1406 WeakPolarHBondContact CE2-NE2 3.4Å; F1402-H1406 AromaticContact CG-ND1 3.78Å; F1402-H1406 HydrophobicContact CZ-CB 4.46Å; F1402-H1406 AromaticContact CZ-CD2 3.83Å; F1402-H1406 WeakPolarHBondContact O-CA 3.37Å; F1402-H1406 WeakPolarHBondContact O-CB 3.2Å; F1402-H1406 PolarHBondContact O-N 2.95Å; F1402-H1406 PolarHBondContact O-ND1 2.89Å; F1402-H1406 VanDerWaalsContact O-ND1 3.13Å; H1406-D1408 PolarHBondContact O-N 3Å; H1406-D1408 VanDerWaalsContact O-N 3.16Å; H1406-F1409 HydrophobicContact CB-CB 3.54Å; H1406-F1409 HydrophobicContact CB-CG 4.44Å; H1406-F1409 WeakPolarHBondContact O-CA 3.33Å; H1406-F1409 VanDerWaalsContact O-CB 3.28Å; H1406-F1409 WeakPolarHBondContact O-CB 3.5Å; H1406-F1409 PolarHBondContact O-N 2.71Å; H1406-L1410 PolarHBondContact O-N 3.11Å |
| 1407 | L | 51.1 | Low | 45.2 | Very low | 102 Ų | 102 | 91.8 Ų | 91.8 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.7 | -27.7 | 170.1 | -145.6 | 137.3 | 0 | 0 | 0 | 111.6 | K1411 | L1407-K1411 WeakPolarHBondContact O-CG 3.29Å; L1407-K1411 PolarHBondContact O-N 3.4Å; L1407-K1411 VanDerWaalsContact O-N 3.15Å |
| 1408 | D | 48 | Very low | 45.3 | Very low | 104 Ų | 104 | 90.8 Ų | 90.8 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -78 | -20 | 170.9 | -67.3 | -26.5 | 0 | 0 | 0 | 114 | H1406 K1411 Q1412 | H1406-D1408 PolarHBondContact O-N 3Å; H1406-D1408 VanDerWaalsContact O-N 3.16Å; D1408-K1411 IonicContact OD1-NZ 2.73Å; D1408-K1411 PolarHBondContact OD1-NZ 2.93Å; D1408-Q1412 WeakPolarHBondContact O-CG 3.49Å; D1408-Q1412 PolarHBondContact O-N 2.88Å; D1408-Q1412 VanDerWaalsContact O-N 3.14Å; D1408-Q1412 PolarHBondContact O-NE2 3.33Å |
| 1409 | F | 49.9 | Very low | 45.5 | Very low | 65 Ų | 65 | 88 Ų | 88 | 29% | 0.285 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 167 | 171.8 | -104.6 | 0 | 0 | 0 | 111 | F1402 H1406 K1411 Q1412 Y1413 | F1402-F1409 AromaticContact CE1-CD1 3.63Å; F1402-F1409 HydrophobicContact CE1-CD1 3.63Å; F1402-F1409 AromaticContact CE1-CE1 3.66Å; F1402-F1409 HydrophobicContact CE1-CE1 3.66Å; F1402-F1409 HydrophobicContact CE1-CG 4.3Å; F1402-F1409 HydrophobicContact CE1-CZ 4.35Å; F1402-F1409 HydrophobicContact CZ-CD1 4.16Å; F1402-F1409 HydrophobicContact CZ-CE1 4.24Å; F1402-F1409 HydrophobicContact CZ-CG 4.41Å; H1406-F1409 HydrophobicContact CB-CB 3.54Å; H1406-F1409 HydrophobicContact CB-CG 4.44Å; H1406-F1409 WeakPolarHBondContact O-CA 3.33Å; H1406-F1409 VanDerWaalsContact O-CB 3.28Å; H1406-F1409 WeakPolarHBondContact O-CB 3.5Å; H1406-F1409 PolarHBondContact O-N 2.71Å; F1409-K1411 VanDerWaalsContact C-N 3.27Å; F1409-K1411 PolarHBondContact O-N 3.17Å; F1409-Q1412 WeakPolarHBondContact O-CA 3.21Å; F1409-Q1412 VanDerWaalsContact O-CB 3.29Å; F1409-Q1412 WeakPolarHBondContact O-CB 3.32Å; F1409-Q1412 PolarHBondContact O-N 3.05Å; F1409-Y1413 HydrophobicContact CD1-CE2 4.01Å; F1409-Y1413 AromaticContact CE1-CE2 3.58Å; F1409-Y1413 HydrophobicContact CE1-CE2 3.58Å; F1409-Y1413 HydrophobicContact CE2-CE2 4.41Å; F1409-Y1413 AromaticContact CZ-CE2 3.81Å; F1409-Y1413 HydrophobicContact CZ-CE2 3.81Å; F1409-Y1413 WeakPolarHBondContact O-CD2 3.47Å; F1409-Y1413 PolarHBondContact O-N 3.45Å |
| 1410 | L | 47.3 | Very low | 46.2 | Very low | 72 Ų | 72 | 88.2 Ų | 88.2 | 38% | 0.377 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -36 | 170.2 | -75.8 | 171 | 0 | 0 | 0 | 111.5 | H1406 Q1412 Y1413 | H1406-L1410 PolarHBondContact O-N 3.11Å; L1410-Q1412 VanDerWaalsContact C-N 3.31Å; L1410-Q1412 PolarHBondContact O-N 2.99Å; L1410-Y1413 WeakPolarHBondContact O-CB 3.49Å; L1410-Y1413 PolarHBondContact O-N 3.41Å; L1410-Y1413 VanDerWaalsContact O-N 3.13Å |
| 1411 | K | 49.4 | Very low | 46.4 | Very low | 119 Ų | 119 | 85.2 Ų | 85.2 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 169 | -68.8 | 174.1 | -163.7 | 155 | 0 | 113.3 | L1407 D1408 F1409 Y1413 G1414 | L1407-K1411 WeakPolarHBondContact O-CG 3.29Å; L1407-K1411 PolarHBondContact O-N 3.4Å; L1407-K1411 VanDerWaalsContact O-N 3.15Å; D1408-K1411 IonicContact OD1-NZ 2.73Å; D1408-K1411 PolarHBondContact OD1-NZ 2.93Å; F1409-K1411 VanDerWaalsContact C-N 3.27Å; F1409-K1411 PolarHBondContact O-N 3.17Å; K1411-Y1413 PolarHBondContact O-N 3.11Å; K1411-Y1413 VanDerWaalsContact O-N 3.16Å; K1411-G1414 WeakPolarHBondContact O-CA 3.11Å; K1411-G1414 PolarHBondContact O-N 2.85Å |
| 1412 | Q | 46.3 | Very low | 46.4 | Very low | 99 Ų | 99 | 85.2 Ų | 85.2 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -16.7 | 173.1 | -69.9 | 161.1 | 36.2 | 0 | 0 | 113.1 | D1408 F1409 L1410 G1414 D1415 F1416 | D1408-Q1412 WeakPolarHBondContact O-CG 3.49Å; D1408-Q1412 PolarHBondContact O-N 2.88Å; D1408-Q1412 VanDerWaalsContact O-N 3.14Å; D1408-Q1412 PolarHBondContact O-NE2 3.33Å; F1409-Q1412 WeakPolarHBondContact O-CA 3.21Å; F1409-Q1412 VanDerWaalsContact O-CB 3.29Å; F1409-Q1412 WeakPolarHBondContact O-CB 3.32Å; F1409-Q1412 PolarHBondContact O-N 3.05Å; L1410-Q1412 VanDerWaalsContact C-N 3.31Å; L1410-Q1412 PolarHBondContact O-N 2.99Å; Q1412-G1414 PolarHBondContact O-N 3.03Å; Q1412-D1415 CarbonylContact O-C 3.5Å; Q1412-D1415 PolarHBondContact O-N 3.34Å; Q1412-F1416 PolarHBondContact O-N 3.4Å |
| 1413 | Y | 48.8 | Very low | 46.2 | Very low | 59 Ų | 59 | 85 Ų | 85 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.3 | 168.9 | -74.3 | -112.3 | 0 | 0 | 0 | 112.5 | F1409 L1410 K1411 F1416 P1421 | F1409-Y1413 HydrophobicContact CD1-CE2 4.01Å; F1409-Y1413 AromaticContact CE1-CE2 3.58Å; F1409-Y1413 HydrophobicContact CE1-CE2 3.58Å; F1409-Y1413 HydrophobicContact CE2-CE2 4.41Å; F1409-Y1413 AromaticContact CZ-CE2 3.81Å; F1409-Y1413 HydrophobicContact CZ-CE2 3.81Å; F1409-Y1413 WeakPolarHBondContact O-CD2 3.47Å; F1409-Y1413 PolarHBondContact O-N 3.45Å; L1410-Y1413 WeakPolarHBondContact O-CB 3.49Å; L1410-Y1413 PolarHBondContact O-N 3.41Å; L1410-Y1413 VanDerWaalsContact O-N 3.13Å; K1411-Y1413 PolarHBondContact O-N 3.11Å; K1411-Y1413 VanDerWaalsContact O-N 3.16Å; Y1413-F1416 HydrophobicContact CD1-CD2 4.26Å; Y1413-F1416 AromaticContact CD1-CE2 3.54Å; Y1413-F1416 HydrophobicContact CD1-CE2 3.54Å; Y1413-F1416 HydrophobicContact CD2-CE2 4.03Å; Y1413-F1416 AromaticContact CE1-CE2 3.81Å; Y1413-F1416 HydrophobicContact CE1-CE2 3.81Å; Y1413-F1416 HydrophobicContact CE1-CZ 4.46Å; Y1413-F1416 HydrophobicContact CE2-CE2 4.26Å; Y1413-F1416 HydrophobicContact CE2-CZ 4.49Å; Y1413-F1416 HydrophobicContact CG-CD2 4.27Å; Y1413-F1416 AromaticContact CG-CE2 3.63Å; Y1413-F1416 HydrophobicContact CG-CE2 3.63Å; Y1413-P1421 HydrophobicContact CD1-CG 4.46Å; Y1413-P1421 HydrophobicContact CE1-CG 4.11Å |
| 1414 | G | 45.3 | Very low | 46.2 | Very low | 66 Ų | 66 | 88.3 Ų | 88.3 | 68% | 0.68 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -21.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1411 Q1412 | K1411-G1414 WeakPolarHBondContact O-CA 3.11Å; K1411-G1414 PolarHBondContact O-N 2.85Å; Q1412-G1414 PolarHBondContact O-N 3.03Å |
| 1415 | D | 46.2 | Very low | 46 | Very low | 135 Ų | 135 | 85.9 Ų | 85.9 | 72% | 0.722 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -100.4 | 10.4 | -179.4 | -75 | -33 | 0 | 0 | 0 | 113.3 | Q1412 E1417 | Q1412-D1415 CarbonylContact O-C 3.5Å; Q1412-D1415 PolarHBondContact O-N 3.34Å; D1415-E1417 PolarHBondContact O-N 3.03Å |
| 1416 | F | 42.9 | Very low | 46.3 | Very low | 83 Ų | 83 | 81.8 Ų | 81.8 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | trans | -62.4 | 107.5 | 179.3 | -87.9 | -52.2 | 0 | 0 | 0 | 111.7 | Q1412 Y1413 N1418 G1419 P1421 | Q1412-F1416 PolarHBondContact O-N 3.4Å; Y1413-F1416 HydrophobicContact CD1-CD2 4.26Å; Y1413-F1416 AromaticContact CD1-CE2 3.54Å; Y1413-F1416 HydrophobicContact CD1-CE2 3.54Å; Y1413-F1416 HydrophobicContact CD2-CE2 4.03Å; Y1413-F1416 AromaticContact CE1-CE2 3.81Å; Y1413-F1416 HydrophobicContact CE1-CE2 3.81Å; Y1413-F1416 HydrophobicContact CE1-CZ 4.46Å; Y1413-F1416 HydrophobicContact CE2-CE2 4.26Å; Y1413-F1416 HydrophobicContact CE2-CZ 4.49Å; Y1413-F1416 HydrophobicContact CG-CD2 4.27Å; Y1413-F1416 AromaticContact CG-CE2 3.63Å; Y1413-F1416 HydrophobicContact CG-CE2 3.63Å; F1416-N1418 PolarHBondContact O-N 2.78Å; F1416-G1419 WeakPolarHBondContact CB-O 3.42Å; F1416-G1419 PolarHBondContact O-N 3.03Å; F1416-P1421 HydrophobicContact CD2-CG 4.26Å; F1416-P1421 HydrophobicContact CE2-CG 3.81Å; F1416-P1421 HydrophobicContact CZ-CG 4.35Å | ||
| 1417 | E | 36.3 | Very low | 46.2 | Very low | 107 Ų | 107 | 78.8 Ų | 78.8 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -9.7 | 177.7 | -148.6 | 174.6 | -153.7 | 0 | 0 | 113.7 | D1415 Y1469 R1474 | D1415-E1417 PolarHBondContact O-N 3.03Å; E1417-Y1469 PolarHBondContact O-OH 3Å; E1417-R1474 IonicContact OE1-CZ 2.75Å; E1417-R1474 IonicContact OE1-NH1 2.81Å; E1417-R1474 PolarHBondContact OE1-NH1 3.03Å; E1417-R1474 IonicContact OE1-NH2 3.32Å; E1417-R1474 PolarHBondContact OE1-NH2 3.11Å |
| 1418 | N | 41 | Very low | 46.2 | Very low | 143 Ų | 143 | 82 Ų | 82 | 77% | 0.765 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | 14.5 | -179 | -58.9 | -64.7 | 0 | 0 | 0 | 114.3 | F1416 | F1416-N1418 PolarHBondContact O-N 2.78Š|
| 1419 | G | 44.9 | Very low | 46.3 | Very low | 35 Ų | 35 | 79.4 Ų | 79.4 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | trans | 81.5 | 178.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1416 | F1416-G1419 WeakPolarHBondContact CB-O 3.42Å; F1416-G1419 PolarHBondContact O-N 3.03Å | ||
| 1420 | I | 47.7 | Very low | 46.4 | Very low | 64 Ų | 64 | 76.8 Ų | 76.8 | 33% | 0.328 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -65.4 | 134.2 | -173.4 | -44.8 | -178.7 | 0 | 0 | 0 | 109.8 | I1426 | I1420-I1426 HydrophobicContact CG2-CD1 3.46Å; I1420-I1426 VanDerWaalsContact CG2-CD1 3.46Å; I1420-I1426 HydrophobicContact CG2-CG1 4.13Å |
| 1421 | P | 45.9 | Very low | 46.7 | Very low | 29 Ų | 29 | 76.9 Ų | 76.9 | 19% | 0.188 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 152.5 | -179.9 | -28.4 | 35.2 | 0 | 0 | 0 | 114.1 | Y1413 F1416 T1425 I1426 | Y1413-P1421 HydrophobicContact CD1-CG 4.46Å; Y1413-P1421 HydrophobicContact CE1-CG 4.11Å; F1416-P1421 HydrophobicContact CD2-CG 4.26Å; F1416-P1421 HydrophobicContact CE2-CG 3.81Å; F1416-P1421 HydrophobicContact CZ-CG 4.35Å; P1421-T1425 HydrophobicContact CB-CG2 3.58Å; P1421-T1425 HydrophobicContact CG-CG2 4.34Å; P1421-I1426 HydrophobicContact CB-CG1 4.43Å; P1421-I1426 VanDerWaalsContact O-CD1 3.29Å; P1421-I1426 WeakPolarHBondContact O-CD1 3.39Å; P1421-I1426 WeakPolarHBondContact O-CG1 3.08Å |
| 1422 | V | 46.1 | Very low | 46.9 | Very low | 100 Ų | 100 | 73.3 Ų | 73.3 | 61% | 0.606 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 152.8 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | D1424 T1425 I1426 | V1422-D1424 PolarHBondContact O-N 2.96Å; V1422-T1425 WeakPolarHBondContact CG2-OG1 3.4Å; V1422-T1425 WeakPolarHBondContact O-CA 3.38Å; V1422-T1425 WeakPolarHBondContact O-CB 3.23Å; V1422-T1425 PolarHBondContact O-N 2.74Å; V1422-I1426 PolarHBondContact O-N 3.41Å; V1422-I1426 VanDerWaalsContact O-N 3.14Å |
| 1423 | H | 41.3 | Very low | 47.2 | Very low | 82 Ų | 82 | 71 Ų | 71 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -45.2 | -42 | -175.6 | 127 | -77.7 | 0 | 0 | 0 | 113.3 | T1425 A1427 | H1423-T1425 PolarHBondContact O-N 3.14Å; H1423-A1427 WeakPolarHBondContact O-CB 3.26Å; H1423-A1427 PolarHBondContact O-N 2.99Å |
| 1424 | D | 45 | Very low | 47.6 | Very low | 99 Ų | 99 | 70.9 Ų | 70.9 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.7 | -29.4 | 179.6 | -59.7 | -85.3 | 0 | 0 | 0 | 113.6 | V1422 R1428 | V1422-D1424 PolarHBondContact O-N 2.96Å; D1424-R1428 WeakPolarHBondContact O-CB 3.36Å; D1424-R1428 VanDerWaalsContact O-CG 3.31Å; D1424-R1428 WeakPolarHBondContact O-CG 3.5Å; D1424-R1428 PolarHBondContact O-N 3.05Å |
| 1425 | T | 48.7 | Very low | 48.1 | Very low | 61 Ų | 61 | 71.2 Ų | 71.2 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77.2 | -44.3 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111 | P1421 V1422 H1423 A1427 R1428 V1429 | P1421-T1425 HydrophobicContact CB-CG2 3.58Å; P1421-T1425 HydrophobicContact CG-CG2 4.34Å; V1422-T1425 WeakPolarHBondContact CG2-OG1 3.4Å; V1422-T1425 WeakPolarHBondContact O-CA 3.38Å; V1422-T1425 WeakPolarHBondContact O-CB 3.23Å; V1422-T1425 PolarHBondContact O-N 2.74Å; H1423-T1425 PolarHBondContact O-N 3.14Å; T1425-A1427 VanDerWaalsContact C-N 3.29Å; T1425-R1428 PolarHBondContact O-N 2.82Å; T1425-V1429 WeakPolarHBondContact O-CG2 3.38Å; T1425-V1429 PolarHBondContact O-N 3.45Å |
| 1426 | I | 50.8 | Low | 48.6 | Very low | 16 Ų | 16 | 68.2 Ų | 68.2 | 8% | 0.082 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 169.7 | -60.5 | 169.7 | 0 | 0 | 0 | 109.2 | I1420 P1421 V1422 R1428 V1429 V1430 A1483 F1484 | I1420-I1426 HydrophobicContact CG2-CD1 3.46Å; I1420-I1426 VanDerWaalsContact CG2-CD1 3.46Å; I1420-I1426 HydrophobicContact CG2-CG1 4.13Å; P1421-I1426 HydrophobicContact CB-CG1 4.43Å; P1421-I1426 VanDerWaalsContact O-CD1 3.29Å; P1421-I1426 WeakPolarHBondContact O-CD1 3.39Å; P1421-I1426 WeakPolarHBondContact O-CG1 3.08Å; V1422-I1426 PolarHBondContact O-N 3.41Å; V1422-I1426 VanDerWaalsContact O-N 3.14Å; I1426-R1428 VanDerWaalsContact C-N 3.34Å; I1426-R1428 PolarHBondContact O-N 3.4Å; I1426-V1429 PolarHBondContact O-N 3.15Å; I1426-V1429 VanDerWaalsContact O-N 3.1Å; I1426-V1430 HydrophobicContact CG2-CG2 3.63Å; I1426-V1430 WeakPolarHBondContact O-CB 3.34Å; I1426-V1430 VanDerWaalsContact O-CG2 3.31Å; I1426-V1430 WeakPolarHBondContact O-CG2 3.4Å; I1426-V1430 PolarHBondContact O-N 3.14Å; I1426-A1483 HydrophobicContact CD1-CB 3.62Å; I1426-A1483 HydrophobicContact CG2-CB 4.47Å; I1426-F1484 HydrophobicContact CG2-CD1 4.32Å; I1426-F1484 HydrophobicContact CG2-CE1 3.62Å; I1426-F1484 HydrophobicContact CG2-CZ 4.03Å |
| 1427 | A | 48.2 | Very low | 49.4 | Very low | 14 Ų | 14 | 67.9 Ų | 67.9 | 12% | 0.116 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1423 T1425 V1429 V1430 S1431 M1487 | H1423-A1427 WeakPolarHBondContact O-CB 3.26Å; H1423-A1427 PolarHBondContact O-N 2.99Å; T1425-A1427 VanDerWaalsContact C-N 3.29Å; A1427-V1429 VanDerWaalsContact C-N 3.32Å; A1427-V1429 PolarHBondContact O-N 3.42Å; A1427-V1430 PolarHBondContact O-N 2.87Å; A1427-S1431 WeakPolarHBondContact O-CB 3.48Å; A1427-S1431 PolarHBondContact O-N 3.42Å; A1427-S1431 PolarHBondContact O-OG 3.16Å; A1427-M1487 HydrophobicContact CB-CE 3.73Å; A1427-M1487 HydrophobicContact CB-SD 4.23Å; A1427-M1487 WeakPolarHBondContact O-CE 3.2Å |
| 1428 | R | 50.4 | Low | 50.7 | Low | 171 Ų | 171 | 63.5 Ų | 63.5 | 65% | 0.645 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.5 | -41.4 | 175.3 | -80.3 | 175 | 174 | -164.2 | -2 | 113.5 | D1424 T1425 I1426 S1431 C1432 | D1424-R1428 WeakPolarHBondContact O-CB 3.36Å; D1424-R1428 VanDerWaalsContact O-CG 3.31Å; D1424-R1428 WeakPolarHBondContact O-CG 3.5Å; D1424-R1428 PolarHBondContact O-N 3.05Å; T1425-R1428 PolarHBondContact O-N 2.82Å; I1426-R1428 VanDerWaalsContact C-N 3.34Å; I1426-R1428 PolarHBondContact O-N 3.4Å; R1428-S1431 PolarHBondContact O-OG 2.8Å; R1428-C1432 PolarHBondContact O-SG 3.5Å; R1428-C1432 VanDerWaalsContact O-SG 3.4Å |
| 1429 | V | 50.5 | Low | 51.7 | Low | 48 Ų | 48 | 59.4 Ų | 59.4 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.7 | -47.2 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | T1425 I1426 A1427 S1431 C1432 I1433 | T1425-V1429 WeakPolarHBondContact O-CG2 3.38Å; T1425-V1429 PolarHBondContact O-N 3.45Å; I1426-V1429 PolarHBondContact O-N 3.15Å; I1426-V1429 VanDerWaalsContact O-N 3.1Å; A1427-V1429 VanDerWaalsContact C-N 3.32Å; A1427-V1429 PolarHBondContact O-N 3.42Å; V1429-S1431 PolarHBondContact O-N 3.45Å; V1429-C1432 WeakPolarHBondContact O-CB 3.5Å; V1429-C1432 PolarHBondContact O-N 2.81Å; V1429-I1433 HydrophobicContact CG1-CD1 4.24Å |
| 1430 | V | 52.6 | Low | 52.6 | Low | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -33.8 | -176.9 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | I1426 A1427 C1432 I1433 F1438 F1484 | I1426-V1430 HydrophobicContact CG2-CG2 3.63Å; I1426-V1430 WeakPolarHBondContact O-CB 3.34Å; I1426-V1430 VanDerWaalsContact O-CG2 3.31Å; I1426-V1430 WeakPolarHBondContact O-CG2 3.4Å; I1426-V1430 PolarHBondContact O-N 3.14Å; A1427-V1430 PolarHBondContact O-N 2.87Å; V1430-C1432 PolarHBondContact O-N 2.63Å; V1430-C1432 VanDerWaalsContact O-N 3.15Å; V1430-I1433 PolarHBondContact O-N 2.8Å; V1430-F1438 HydrophobicContact CB-CE2 4.43Å; V1430-F1438 HydrophobicContact CG1-CD1 3.86Å; V1430-F1438 HydrophobicContact CG1-CD2 4.06Å; V1430-F1438 HydrophobicContact CG1-CE1 3.76Å; V1430-F1438 HydrophobicContact CG1-CE2 3.98Å; V1430-F1438 HydrophobicContact CG1-CG 4.03Å; V1430-F1438 HydrophobicContact CG1-CZ 3.85Å; V1430-F1438 HydrophobicContact CG2-CD2 4.21Å; V1430-F1438 HydrophobicContact CG2-CE2 3.66Å; V1430-F1438 HydrophobicContact CG2-CZ 3.94Å; V1430-F1484 HydrophobicContact CG2-CD1 4.29Å; V1430-F1484 HydrophobicContact CG2-CE1 3.91Å |
| 1431 | S | 52.9 | Low | 53.3 | Low | 74 Ų | 74 | 64 Ų | 64 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.6 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | A1427 R1428 V1429 | A1427-S1431 WeakPolarHBondContact O-CB 3.48Å; A1427-S1431 PolarHBondContact O-N 3.42Å; A1427-S1431 PolarHBondContact O-OG 3.16Å; R1428-S1431 PolarHBondContact O-OG 2.8Å; V1429-S1431 PolarHBondContact O-N 3.45Å |
| 1432 | C | 54 | Low | 54.2 | Low | 44 Ų | 44 | 62.7 Ų | 62.7 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -5 | 178.4 | -69.9 | 0 | 0 | 0 | 0 | 113.8 | W1396 I1399 R1428 V1429 V1430 | W1396-C1432 HydrophobicContact CH2-CB 4.11Å; W1396-C1432 HydrophobicContact CZ3-CB 3.73Å; I1399-C1432 HydrophobicContact CG2-CB 4.3Å; R1428-C1432 PolarHBondContact O-SG 3.5Å; R1428-C1432 VanDerWaalsContact O-SG 3.4Å; V1429-C1432 WeakPolarHBondContact O-CB 3.5Å; V1429-C1432 PolarHBondContact O-N 2.81Å; V1430-C1432 PolarHBondContact O-N 2.63Å; V1430-C1432 VanDerWaalsContact O-N 3.15Å |
| 1433 | I | 51.5 | Low | 55.1 | Low | 51 Ų | 51 | 59.4 Ų | 59.4 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -102.8 | 133.1 | 178.8 | -55.2 | 168.7 | 0 | 0 | 0 | 108.5 | V1429 V1430 K1437 F1438 | V1429-I1433 HydrophobicContact CG1-CD1 4.24Å; V1430-I1433 PolarHBondContact O-N 2.8Å; I1433-K1437 HydrophobicContact CG2-CB 4.18Å; I1433-F1438 HydrophobicContact CB-CB 4.04Å; I1433-F1438 HydrophobicContact CD1-CD2 4.17Å; I1433-F1438 HydrophobicContact CG2-CB 3.68Å |
| 1434 | S | 58 | Low | 56.2 | Low | 55 Ų | 55 | 59 Ų | 59 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | trans | -45.8 | 126 | 171.6 | 156.4 | 0 | 0 | 0 | 0 | 110.2 | A1436 K1437 F1438 | S1434-A1436 PolarHBondContact O-N 3.49Å; S1434-K1437 CarbonylContact O-C 3.54Å; S1434-K1437 PolarHBondContact O-N 2.53Å; S1434-K1437 PolarHBondContact OG-N 3.29Å; S1434-F1438 WeakPolarHBondContact O-CB 3.12Å; S1434-F1438 PolarHBondContact O-N 3.11Å | ||
| 1435 | P | 54.4 | Low | 57 | Low | 74 Ų | 74 | 58.8 Ų | 58.8 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.9 | -31 | -176 | -29.6 | 35.7 | 0 | 0 | 0 | 113.8 | H1439 | P1435-H1439 WeakPolarHBondContact O-CB 3.28Å; P1435-H1439 PolarHBondContact O-N 3.04Å |
| 1436 | A | 58 | Low | 57.7 | Low | 71 Ų | 71 | 56.2 Ų | 56.2 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.7 | -48.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1434 F1438 H1439 E1440 | S1434-A1436 PolarHBondContact O-N 3.49Å; A1436-F1438 VanDerWaalsContact C-N 3.31Å; A1436-F1438 PolarHBondContact O-N 2.7Å; A1436-H1439 PolarHBondContact O-N 3.15Å; A1436-E1440 WeakPolarHBondContact O-CB 3.36Å; A1436-E1440 PolarHBondContact O-N 2.68Å |
| 1437 | K | 60 | Low | 58.2 | Low | 76 Ų | 76 | 62.9 Ų | 62.9 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 173.6 | -80.5 | -171.6 | 179.4 | 171.3 | 0 | 111.1 | E1400 E1404 I1433 S1434 E1440 C1441 | E1400-K1437 IonicContact OE1-NZ 3.7Å; E1400-K1437 PolarHBondContact OE1-NZ 3.12Å; E1404-K1437 IonicContact OE1-NZ 3.13Å; E1404-K1437 PolarHBondContact OE1-NZ 2.81Å; I1433-K1437 HydrophobicContact CG2-CB 4.18Å; S1434-K1437 CarbonylContact O-C 3.54Å; S1434-K1437 PolarHBondContact O-N 2.53Å; S1434-K1437 PolarHBondContact OG-N 3.29Å; K1437-E1440 PolarHBondContact O-N 2.98Å; K1437-C1441 VanDerWaalsContact O-CB 3.28Å; K1437-C1441 WeakPolarHBondContact O-CB 3.5Å; K1437-C1441 PolarHBondContact O-N 3.35Å; K1437-C1441 PolarHBondContact O-SG 3.07Å; K1437-C1441 VanDerWaalsContact O-SG 3.36Å |
| 1438 | F | 63.5 | Low | 58.9 | Low | 16 Ų | 16 | 68.1 Ų | 68.1 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 176.5 | 178.4 | -107.8 | 0 | 0 | 0 | 111.2 | V1430 I1433 S1434 A1436 E1440 C1441 F1442 F1484 L1490 | V1430-F1438 HydrophobicContact CB-CE2 4.43Å; V1430-F1438 HydrophobicContact CG1-CD1 3.86Å; V1430-F1438 HydrophobicContact CG1-CD2 4.06Å; V1430-F1438 HydrophobicContact CG1-CE1 3.76Å; V1430-F1438 HydrophobicContact CG1-CE2 3.98Å; V1430-F1438 HydrophobicContact CG1-CG 4.03Å; V1430-F1438 HydrophobicContact CG1-CZ 3.85Å; V1430-F1438 HydrophobicContact CG2-CD2 4.21Å; V1430-F1438 HydrophobicContact CG2-CE2 3.66Å; V1430-F1438 HydrophobicContact CG2-CZ 3.94Å; I1433-F1438 HydrophobicContact CB-CB 4.04Å; I1433-F1438 HydrophobicContact CD1-CD2 4.17Å; I1433-F1438 HydrophobicContact CG2-CB 3.68Å; S1434-F1438 WeakPolarHBondContact O-CB 3.12Å; S1434-F1438 PolarHBondContact O-N 3.11Å; A1436-F1438 VanDerWaalsContact C-N 3.31Å; A1436-F1438 PolarHBondContact O-N 2.7Å; F1438-E1440 VanDerWaalsContact C-N 3.35Å; F1438-E1440 PolarHBondContact O-N 2.86Å; F1438-C1441 PolarHBondContact O-N 3.18Å; F1438-F1442 HydrophobicContact CE1-CB 4.44Å; F1438-F1442 HydrophobicContact CZ-CB 4.21Å; F1438-F1442 HydrophobicContact CZ-CD2 4.11Å; F1438-F1442 WeakPolarHBondContact O-CB 3.25Å; F1438-F1442 PolarHBondContact O-N 3.09Å; F1438-F1484 HydrophobicContact CE1-CD1 4.1Å; F1438-F1484 HydrophobicContact CE2-CD1 4.47Å; F1438-F1484 HydrophobicContact CE2-CE1 4.1Å; F1438-F1484 AromaticContact CZ-CD1 3.49Å; F1438-F1484 HydrophobicContact CZ-CD1 3.49Å; F1438-F1484 VanDerWaalsContact CZ-CD1 3.49Å; F1438-F1484 AromaticContact CZ-CE1 3.51Å; F1438-F1484 HydrophobicContact CZ-CE1 3.51Å; F1438-L1490 HydrophobicContact CE1-CD1 3.75Å; F1438-L1490 HydrophobicContact CZ-CD1 4.46Å |
| 1439 | H | 61.8 | Low | 59.1 | Low | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 174.1 | -176.8 | 77 | 0 | 0 | 0 | 112 | P1435 A1436 F1442 I1443 | P1435-H1439 WeakPolarHBondContact O-CB 3.28Å; P1435-H1439 PolarHBondContact O-N 3.04Å; A1436-H1439 PolarHBondContact O-N 3.15Å; H1439-F1442 PolarHBondContact O-N 3.23Å; H1439-I1443 VanDerWaalsContact NE2-CD1 3.32Å; H1439-I1443 WeakPolarHBondContact NE2-CD1 3.35Å; H1439-I1443 WeakPolarHBondContact O-CB 3.26Å; H1439-I1443 WeakPolarHBondContact O-CG1 3.23Å; H1439-I1443 PolarHBondContact O-N 2.85Å |
| 1440 | E | 63.6 | Low | 59.4 | Low | 127 Ų | 127 | 63.4 Ų | 63.4 | 59% | 0.593 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -44.6 | 176.4 | -165.9 | 168.7 | -141.9 | 0 | 0 | 111.9 | A1436 K1437 F1438 F1442 I1443 N1444 | A1436-E1440 WeakPolarHBondContact O-CB 3.36Å; A1436-E1440 PolarHBondContact O-N 2.68Å; K1437-E1440 PolarHBondContact O-N 2.98Å; F1438-E1440 VanDerWaalsContact C-N 3.35Å; F1438-E1440 PolarHBondContact O-N 2.86Å; E1440-F1442 PolarHBondContact O-N 2.91Å; E1440-I1443 PolarHBondContact O-N 2.91Å; E1440-N1444 VanDerWaalsContact O-CB 3.32Å; E1440-N1444 WeakPolarHBondContact O-CB 3.48Å; E1440-N1444 PolarHBondContact O-N 2.91Å; E1440-N1444 PolarHBondContact O-ND2 3.37Å |
| 1441 | C | 61.4 | Low | 59.5 | Low | 68 Ų | 68 | 68.4 Ų | 68.4 | 46% | 0.459 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 171.8 | -75.9 | 0 | 0 | 0 | 0 | 112.6 | K1437 F1438 N1444 W1445 | K1437-C1441 VanDerWaalsContact O-CB 3.28Å; K1437-C1441 WeakPolarHBondContact O-CB 3.5Å; K1437-C1441 PolarHBondContact O-N 3.35Å; K1437-C1441 PolarHBondContact O-SG 3.07Å; K1437-C1441 VanDerWaalsContact O-SG 3.36Å; F1438-C1441 PolarHBondContact O-N 3.18Å; C1441-N1444 PolarHBondContact O-N 2.96Å; C1441-W1445 WeakPolarHBondContact O-CB 3.33Å; C1441-W1445 PolarHBondContact O-N 3.34Å |
| 1442 | F | 66.1 | Low | 59.5 | Low | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 177.1 | -179.1 | -87.9 | 0 | 0 | 0 | 111.1 | F1438 H1439 E1440 N1444 W1445 M1446 F1484 L1490 I1492 L1510 | F1438-F1442 HydrophobicContact CE1-CB 4.44Å; F1438-F1442 HydrophobicContact CZ-CB 4.21Å; F1438-F1442 HydrophobicContact CZ-CD2 4.11Å; F1438-F1442 WeakPolarHBondContact O-CB 3.25Å; F1438-F1442 PolarHBondContact O-N 3.09Å; H1439-F1442 PolarHBondContact O-N 3.23Å; E1440-F1442 PolarHBondContact O-N 2.91Å; F1442-N1444 VanDerWaalsContact C-N 3.33Å; F1442-N1444 PolarHBondContact O-N 3.34Å; F1442-W1445 HydrophobicContact CD2-CE3 4.01Å; F1442-W1445 HydrophobicContact CD2-CZ3 4.23Å; F1442-W1445 HydrophobicContact CE2-CE3 4.23Å; F1442-W1445 HydrophobicContact CE2-CZ3 4.12Å; F1442-W1445 PolarHBondContact O-N 2.79Å; F1442-M1446 HydrophobicContact CD1-CG 3.92Å; F1442-M1446 HydrophobicContact CE1-CG 3.53Å; F1442-M1446 HydrophobicContact CE1-SD 4.24Å; F1442-M1446 HydrophobicContact CE2-CG 4.35Å; F1442-M1446 HydrophobicContact CG-CG 4.48Å; F1442-M1446 HydrophobicContact CZ-CG 3.77Å; F1442-M1446 HydrophobicContact CZ-SD 3.94Å; F1442-M1446 VanDerWaalsContact O-CB 3.31Å; F1442-M1446 WeakPolarHBondContact O-CB 3.11Å; F1442-M1446 WeakPolarHBondContact O-CG 3.28Å; F1442-M1446 PolarHBondContact O-N 3.05Å; F1442-F1484 HydrophobicContact CD2-CE2 4.5Å; F1442-F1484 AromaticContact CE2-CD2 3.88Å; F1442-F1484 HydrophobicContact CE2-CD2 3.88Å; F1442-F1484 AromaticContact CE2-CE2 3.96Å; F1442-F1484 HydrophobicContact CE2-CE2 3.96Å; F1442-F1484 HydrophobicContact CE2-CG 4.3Å; F1442-F1484 HydrophobicContact CE2-CZ 4.43Å; F1442-L1490 HydrophobicContact CB-CD1 4.42Å; F1442-L1490 HydrophobicContact CD1-CD1 3.86Å; F1442-L1490 HydrophobicContact CD2-CD1 4.03Å; F1442-L1490 HydrophobicContact CE1-CD1 4.11Å; F1442-L1490 HydrophobicContact CE1-CD2 4.28Å; F1442-L1490 HydrophobicContact CE2-CD1 4.26Å; F1442-L1490 HydrophobicContact CG-CD1 3.82Å; F1442-L1490 HydrophobicContact CZ-CD1 4.3Å; F1442-L1490 HydrophobicContact CZ-CD2 4.2Å; F1442-I1492 HydrophobicContact CD1-CD1 3.84Å; F1442-I1492 HydrophobicContact CE1-CD1 3.53Å; F1442-L1510 HydrophobicContact CE1-CD2 3.88Å; F1442-L1510 HydrophobicContact CZ-CD2 3.98Å |
| 1443 | I | 64.9 | Low | 59.7 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 16% | 0.159 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 174.3 | -74.9 | -176.4 | 0 | 0 | 0 | 111.2 | H1439 E1440 R1447 | H1439-I1443 VanDerWaalsContact NE2-CD1 3.32Å; H1439-I1443 WeakPolarHBondContact NE2-CD1 3.35Å; H1439-I1443 WeakPolarHBondContact O-CB 3.26Å; H1439-I1443 WeakPolarHBondContact O-CG1 3.23Å; H1439-I1443 PolarHBondContact O-N 2.85Å; E1440-I1443 PolarHBondContact O-N 2.91Å; I1443-R1447 WeakPolarHBondContact O-CB 3.2Å; I1443-R1447 VanDerWaalsContact O-CG 3.27Å; I1443-R1447 WeakPolarHBondContact O-CG 3.37Å; I1443-R1447 PolarHBondContact O-N 3.39Å |
| 1444 | N | 63.2 | Low | 60 | Low | 74 Ų | 74 | 73.5 Ų | 73.5 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 175.5 | -70.8 | -25.3 | 0 | 0 | 0 | 111.8 | E1440 C1441 F1442 R1447 D1448 | E1440-N1444 VanDerWaalsContact O-CB 3.32Å; E1440-N1444 WeakPolarHBondContact O-CB 3.48Å; E1440-N1444 PolarHBondContact O-N 2.91Å; E1440-N1444 PolarHBondContact O-ND2 3.37Å; C1441-N1444 PolarHBondContact O-N 2.96Å; F1442-N1444 VanDerWaalsContact C-N 3.33Å; F1442-N1444 PolarHBondContact O-N 3.34Å; N1444-R1447 CarbonylContact O-C 3.39Å; N1444-R1447 WeakPolarHBondContact O-CB 3.47Å; N1444-R1447 PolarHBondContact O-N 3.07Å; N1444-D1448 WeakPolarHBondContact O-CB 3.42Å; N1444-D1448 PolarHBondContact O-N 2.82Å |
| 1445 | W | 61.7 | Low | 60.3 | Low | 95 Ų | 95 | 76.2 Ų | 76.2 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.8 | 179 | 44.9 | 0 | 0 | 0 | 111.9 | C1441 F1442 R1447 D1448 C1449 F1484 | C1441-W1445 WeakPolarHBondContact O-CB 3.33Å; C1441-W1445 PolarHBondContact O-N 3.34Å; F1442-W1445 HydrophobicContact CD2-CE3 4.01Å; F1442-W1445 HydrophobicContact CD2-CZ3 4.23Å; F1442-W1445 HydrophobicContact CE2-CE3 4.23Å; F1442-W1445 HydrophobicContact CE2-CZ3 4.12Å; F1442-W1445 PolarHBondContact O-N 2.79Å; W1445-R1447 VanDerWaalsContact C-N 3.27Å; W1445-R1447 PolarHBondContact O-N 3.33Å; W1445-D1448 PolarHBondContact O-N 2.84Å; W1445-D1448 VanDerWaalsContact O-N 3.12Å; W1445-C1449 PolarHBondContact O-N 2.87Å; W1445-C1449 PolarHBondContact O-SG 3.35Å; W1445-F1484 HydrophobicContact CH2-CE2 4.39Å; W1445-F1484 HydrophobicContact CH2-CZ 4.37Å; W1445-F1484 AromaticContact CZ3-CE2 3.87Å; W1445-F1484 HydrophobicContact CZ3-CE2 3.87Å; W1445-F1484 AromaticContact CZ3-CZ 3.8Å; W1445-F1484 HydrophobicContact CZ3-CZ 3.8Å |
| 1446 | M | 63.6 | Low | 60.8 | Low | 7 Ų | 7 | 73.9 Ų | 73.9 | 3% | 0.034 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -34.7 | 173.5 | -72.5 | -69.9 | -62.9 | 0 | 0 | 112.5 | F1442 H1450 V1480 L1510 M1513 L1514 | F1442-M1446 HydrophobicContact CD1-CG 3.92Å; F1442-M1446 HydrophobicContact CE1-CG 3.53Å; F1442-M1446 HydrophobicContact CE1-SD 4.24Å; F1442-M1446 HydrophobicContact CE2-CG 4.35Å; F1442-M1446 HydrophobicContact CG-CG 4.48Å; F1442-M1446 HydrophobicContact CZ-CG 3.77Å; F1442-M1446 HydrophobicContact CZ-SD 3.94Å; F1442-M1446 VanDerWaalsContact O-CB 3.31Å; F1442-M1446 WeakPolarHBondContact O-CB 3.11Å; F1442-M1446 WeakPolarHBondContact O-CG 3.28Å; F1442-M1446 PolarHBondContact O-N 3.05Å; M1446-H1450 PolarHBondContact O-ND1 3.35Å; M1446-V1480 HydrophobicContact CE-CG1 3.94Å; M1446-V1480 HydrophobicContact SD-CG1 3.85Å; M1446-L1510 HydrophobicContact CE-CD2 3.57Å; M1446-L1510 HydrophobicContact SD-CD2 4.37Å; M1446-M1513 HydrophobicContact CE-CB 4.43Å; M1446-L1514 HydrophobicContact CE-CD1 3.9Å; M1446-L1514 HydrophobicContact CE-CD2 3.44Å; M1446-L1514 VanDerWaalsContact CE-CD2 3.44Å; M1446-L1514 HydrophobicContact CE-CG 3.45Å; M1446-L1514 VanDerWaalsContact CE-CG 3.45Å; M1446-L1514 HydrophobicContact SD-CD2 4.33Å |
| 1447 | R | 63.1 | Low | 61.2 | Low | 156 Ų | 156 | 71.1 Ų | 71.1 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.5 | -38.9 | 171.3 | -75 | 173 | -179 | 166.7 | 2.8 | 112.6 | I1443 N1444 W1445 H1450 | I1443-R1447 WeakPolarHBondContact O-CB 3.2Å; I1443-R1447 VanDerWaalsContact O-CG 3.27Å; I1443-R1447 WeakPolarHBondContact O-CG 3.37Å; I1443-R1447 PolarHBondContact O-N 3.39Å; N1444-R1447 CarbonylContact O-C 3.39Å; N1444-R1447 WeakPolarHBondContact O-CB 3.47Å; N1444-R1447 PolarHBondContact O-N 3.07Å; W1445-R1447 VanDerWaalsContact C-N 3.27Å; W1445-R1447 PolarHBondContact O-N 3.33Å; R1447-H1450 VanDerWaalsContact O-CB 3.23Å; R1447-H1450 WeakPolarHBondContact O-CB 3.4Å; R1447-H1450 VanDerWaalsContact O-CG 3.3Å; R1447-H1450 PolarHBondContact O-N 2.98Å; R1447-H1450 PolarHBondContact O-ND1 3.32Å |
| 1448 | D | 61.4 | Low | 61.7 | Low | 124 Ų | 124 | 67.8 Ų | 67.8 | 66% | 0.663 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -74.5 | -25.5 | 180 | -81.8 | -1.9 | 0 | 0 | 0 | 113.3 | N1444 W1445 H1450 S1451 | N1444-D1448 WeakPolarHBondContact O-CB 3.42Å; N1444-D1448 PolarHBondContact O-N 2.82Å; W1445-D1448 PolarHBondContact O-N 2.84Å; W1445-D1448 VanDerWaalsContact O-N 3.12Å; D1448-H1450 PolarHBondContact O-N 3.3Å; D1448-S1451 PolarHBondContact O-N 3.38Å; D1448-S1451 PolarHBondContact O-OG 3.24Å |
| 1449 | C | 54.8 | Low | 61.8 | Low | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -60 | -3.1 | 168.4 | -74.4 | 0 | 0 | 0 | 0 | 114.2 | W1445 S1451 | W1445-C1449 PolarHBondContact O-N 2.87Å; W1445-C1449 PolarHBondContact O-SG 3.35Å; C1449-S1451 VanDerWaalsContact C-N 3.27Å; C1449-S1451 PolarHBondContact O-N 3.03Å |
| 1450 | H | 57.2 | Low | 62 | Low | 88 Ų | 88 | 64.4 Ų | 64.4 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -71.5 | -9.8 | 174.4 | -79.6 | 63.8 | 0 | 0 | 0 | 115.1 | M1446 R1447 D1448 S1452 M1513 D1515 | M1446-H1450 PolarHBondContact O-ND1 3.35Å; R1447-H1450 VanDerWaalsContact O-CB 3.23Å; R1447-H1450 WeakPolarHBondContact O-CB 3.4Å; R1447-H1450 VanDerWaalsContact O-CG 3.3Å; R1447-H1450 PolarHBondContact O-N 2.98Å; R1447-H1450 PolarHBondContact O-ND1 3.32Å; D1448-H1450 PolarHBondContact O-N 3.3Å; H1450-S1452 PolarHBondContact O-N 3.08Å; H1450-M1513 PolarHBondContact CE1-O 2.83Å; H1450-M1513 VanDerWaalsContact CE1-O 3.27Å; H1450-D1515 PolarHBondContact NE2-N 2.76Å |
| 1451 | S | 55.5 | Low | 61.8 | Low | 116 Ų | 116 | 59.1 Ų | 59.1 | 81% | 0.811 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -86.8 | 7.2 | -173.2 | 61.8 | 0 | 0 | 0 | 0 | 116 | D1448 C1449 | D1448-S1451 PolarHBondContact O-N 3.38Å; D1448-S1451 PolarHBondContact O-OG 3.24Å; C1449-S1451 VanDerWaalsContact C-N 3.27Å; C1449-S1451 PolarHBondContact O-N 3.03Å |
| 1452 | S | 52.9 | Low | 61.4 | Low | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -98.2 | 148.6 | -173.1 | 97.4 | 0 | 0 | 0 | 0 | 114.2 | H1450 D1456 K1519 | H1450-S1452 PolarHBondContact O-N 3.08Å; S1452-D1456 WeakPolarHBondContact CB-OD2 3.45Å; S1452-D1456 PolarHBondContact OG-OD2 2.79Å; S1452-K1519 PolarHBondContact O-NZ 2.94Å; S1452-K1519 PolarHBondContact OG-NZ 2.88Å |
| 1453 | D | 57.7 | Low | 60.7 | Low | 99 Ų | 99 | 59.8 Ų | 59.8 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | trans | -59.4 | 161.9 | -168.3 | -55.3 | -70.8 | 0 | 0 | 0 | 115.5 | K1455 D1456 R1475 | D1453-K1455 PolarHBondContact O-N 3.09Å; D1453-D1456 PolarHBondContact N-OD2 3.41Å; D1453-R1475 IonicContact OD2-CZ 3Å; D1453-R1475 IonicContact OD2-NH1 3.82Å; D1453-R1475 PolarHBondContact OD2-NH1 3.32Å; D1453-R1475 VanDerWaalsContact OD2-NH1 3.08Å; D1453-R1475 IonicContact OD2-NH2 3.57Å; D1453-R1475 PolarHBondContact OD2-NH2 3.15Å | ||
| 1454 | D | 58.4 | Low | 60 | Low | 138 Ų | 138 | 60.2 Ų | 60.2 | 74% | 0.738 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 18.2 | -178.5 | -79.6 | -20.9 | 0 | 0 | 0 | 116.8 | G1518 | D1454-G1518 CarbonylContact C-O 3.53Š|
| 1455 | K | 63.5 | Low | 59.5 | Low | 112 Ų | 112 | 57 Ų | 57 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.6 | 16.1 | -178.1 | -73.6 | -159.9 | 172.4 | -164 | 0 | 116.4 | D1453 E1598 L1599 | D1453-K1455 PolarHBondContact O-N 3.09Å; K1455-E1598 IonicContact NZ-OE1 2.75Å; K1455-L1599 HydrophobicContact CD-CD1 4.41Å |
| 1456 | D | 65.1 | Low | 59 | Low | 24 Ų | 24 | 61 Ų | 61 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | trans | -79.9 | 153.3 | -177.2 | -70.2 | -39.6 | 0 | 0 | 0 | 114.3 | S1452 D1453 R1475 K1519 I1520 | S1452-D1456 WeakPolarHBondContact CB-OD2 3.45Å; S1452-D1456 PolarHBondContact OG-OD2 2.79Å; D1453-D1456 PolarHBondContact N-OD2 3.41Å; D1456-R1475 WeakPolarHBondContact OD1-CD 3.42Å; D1456-R1475 IonicContact OD1-CZ 2.65Å; D1456-R1475 IonicContact OD1-NE 3.55Å; D1456-R1475 IonicContact OD1-NH1 3.13Å; D1456-R1475 PolarHBondContact OD1-NH1 2.72Å; D1456-R1475 IonicContact OD2-NH1 3.7Å; D1456-R1475 PolarHBondContact OD2-NH1 2.89Å; D1456-K1519 WeakPolarHBondContact O-CA 3.41Å; D1456-K1519 WeakPolarHBondContact O-CB 3.45Å; D1456-I1520 PolarHBondContact O-N 3.4Å | ||
| 1457 | V | 66.3 | Low | 58.4 | Low | 14 Ų | 14 | 68.2 Ų | 68.2 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.8 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | A1477 I1478 I1520 T1522 F1602 | V1457-A1477 HydrophobicContact CG1-CB 4.38Å; V1457-I1478 PolarHBondContact O-N 3.04Å; V1457-I1520 WeakPolarHBondContact CA-O 3.32Å; V1457-I1520 HydrophobicContact CG2-CB 4.25Å; V1457-I1520 HydrophobicContact CG2-CD1 4.27Å; V1457-T1522 HydrophobicContact CG1-CG2 3.83Å; V1457-F1602 HydrophobicContact CG2-CD1 4.33Å; V1457-F1602 HydrophobicContact CG2-CE1 4.5Å |
| 1458 | I | 69.8 | Low | 57.7 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.9 | 177.6 | -53.3 | 180 | 0 | 0 | 0 | 109.4 | I1460 V1480 L1514 K1519 I1520 I1521 T1522 | I1458-I1460 HydrophobicContact CG2-CD1 4.41Å; I1458-I1460 HydrophobicContact CG2-CG1 3.89Å; I1458-V1480 HydrophobicContact CG2-CG2 3.48Å; I1458-V1480 VanDerWaalsContact CG2-CG2 3.48Å; I1458-L1514 HydrophobicContact CD1-CD1 4.37Å; I1458-L1514 HydrophobicContact CD1-CD2 4.46Å; I1458-L1514 HydrophobicContact CG2-CD1 4.21Å; I1458-K1519 HydrophobicContact CD1-CB 4.35Å; I1458-K1519 HydrophobicContact CD1-CD 3.96Å; I1458-I1520 PolarHBondContact N-O 2.62Å; I1458-I1521 HydrophobicContact CB-CD1 3.78Å; I1458-I1521 HydrophobicContact CD1-CD1 3.97Å; I1458-I1521 HydrophobicContact CG1-CD1 4.17Å; I1458-I1521 HydrophobicContact CG2-CD1 4.49Å; I1458-I1521 WeakPolarHBondContact O-CA 3.2Å; I1458-T1522 PolarHBondContact O-N 2.73Å |
| 1459 | A | 65.5 | Low | 56.9 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 99.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | D1461 L1465 A1477 I1478 H1479 V1480 T1522 | A1459-D1461 PolarHBondContact O-N 3.22Å; A1459-L1465 HydrophobicContact CB-CD1 4.15Å; A1459-A1477 HydrophobicContact CB-CB 4.11Å; A1459-I1478 CarbonylContact C-O 3.54Å; A1459-I1478 PolarHBondContact N-O 2.95Å; A1459-H1479 WeakPolarHBondContact O-CA 3.27Å; A1459-V1480 PolarHBondContact O-N 3.25Å; A1459-T1522 WeakPolarHBondContact CA-OG1 3.17Å |
| 1460 | I | 66 | Low | 56.6 | Low | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -94.3 | 93.1 | 179.2 | -54.8 | -171.5 | 0 | 0 | 0 | 108.4 | I1458 V1480 I1481 I1507 L1511 L1514 I1521 T1522 T1523 | I1458-I1460 HydrophobicContact CG2-CD1 4.41Å; I1458-I1460 HydrophobicContact CG2-CG1 3.89Å; I1460-V1480 HydrophobicContact CG1-CG2 4.36Å; I1460-I1481 HydrophobicContact CG2-CD1 3.34Å; I1460-I1481 HydrophobicContact CG2-CG1 3.86Å; I1460-I1507 HydrophobicContact CG2-CB 4.42Å; I1460-I1507 HydrophobicContact CG2-CG1 3.8Å; I1460-I1507 HydrophobicContact CG2-CG2 4.15Å; I1460-L1511 HydrophobicContact CD1-CD2 3.73Å; I1460-L1511 HydrophobicContact CD1-CG 4.34Å; I1460-L1514 HydrophobicContact CD1-CD1 4.25Å; I1460-I1521 HydrophobicContact CD1-CG2 3.59Å; I1460-I1521 HydrophobicContact CG1-CG2 3.97Å; I1460-T1522 PolarHBondContact N-O 3.17Å; I1460-T1523 VanDerWaalsContact O-CA 3.24Å; I1460-T1523 WeakPolarHBondContact O-CA 3.47Å; I1460-T1523 WeakPolarHBondContact O-CB 3.36Å; I1460-T1523 PolarHBondContact O-OG1 2.79Å |
| 1461 | D | 60.5 | Low | 55.7 | Low | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 61.2 | 60.3 | -169 | -170.6 | 32.6 | 0 | 0 | 0 | 112.8 | A1459 I1481 D1524 M1526 | A1459-D1461 PolarHBondContact O-N 3.22Å; D1461-I1481 HydrophobicContact CB-CB 4.34Å; D1461-D1524 VanDerWaalsContact O-CB 3.25Å; D1461-D1524 WeakPolarHBondContact O-CB 3.5Å; D1461-D1524 PolarHBondContact O-N 2.98Å; D1461-M1526 WeakPolarHBondContact OD2-CE 3.18Å |
| 1462 | G | 52.7 | Low | 55.1 | Low | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | trans | -91.9 | 109.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1479 | G1462-H1479 PolarHBondContact O-CE1 2.8Š| ||
| 1463 | K | 50.5 | Low | 54.9 | Low | 82 Ų | 82 | 68.9 Ų | 68.9 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -78.1 | -35.4 | 159.2 | -72.4 | -166.9 | 176.3 | -169.5 | 0 | 112.2 | R1466 D1524 H1582 | K1463-R1466 WeakPolarHBondContact O-CG 3.44Å; K1463-D1524 WeakPolarHBondContact CB-OD2 3.46Å; K1463-H1582 PolarHBondContact NZ-NE2 3.18Å; K1463-H1582 VanDerWaalsContact NZ-NE2 3.13Å |
| 1464 | T | 50.8 | Low | 54.2 | Low | 41 Ų | 41 | 72 Ų | 72 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -29.3 | -172.5 | 26.1 | 0 | 0 | 0 | 0 | 114.6 | R1466 | T1464-R1466 VanDerWaalsContact C-N 3.33Å; T1464-R1466 PolarHBondContact O-N 3.01Å |
| 1465 | L | 53.1 | Low | 53.8 | Low | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 20.3 | -176.4 | -71.3 | 171.5 | 0 | 0 | 0 | 115 | A1459 H1467 S1468 T1522 T1603 | A1459-L1465 HydrophobicContact CB-CD1 4.15Å; L1465-H1467 PolarHBondContact O-N 3.1Å; L1465-S1468 PolarHBondContact O-N 2.89Å; L1465-S1468 VanDerWaalsContact O-N 3.17Å; L1465-S1468 PolarHBondContact O-OG 2.96Å; L1465-T1522 HydrophobicContact CD1-CG2 3.81Å; L1465-T1522 WeakPolarHBondContact CD1-OG1 3.38Å; L1465-T1603 HydrophobicContact CD2-CG2 4.06Å |
| 1466 | R | 50.1 | Low | 53.3 | Low | 181 Ų | 181 | 67.6 Ų | 67.6 | 68% | 0.683 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -5.7 | -180 | -78.9 | -177.8 | 176.1 | -152.2 | -0.8 | 115 | K1463 T1464 | K1463-R1466 WeakPolarHBondContact O-CG 3.44Å; T1464-R1466 VanDerWaalsContact C-N 3.33Å; T1464-R1466 PolarHBondContact O-N 3.01Å |
| 1467 | H | 52 | Low | 52.9 | Low | 157 Ų | 157 | 67 Ų | 67 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | -1.1 | 177.5 | -61.6 | -52.4 | 0 | 0 | 0 | 115 | L1465 Y1469 | L1465-H1467 PolarHBondContact O-N 3.1Å; H1467-Y1469 PolarHBondContact O-N 3.24Å |
| 1468 | S | 48.7 | Very low | 52.4 | Low | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | trans | -74.9 | 83.9 | -177.4 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | L1465 | L1465-S1468 PolarHBondContact O-N 2.89Å; L1465-S1468 VanDerWaalsContact O-N 3.17Å; L1465-S1468 PolarHBondContact O-OG 2.96Å | ||
| 1469 | Y | 44.2 | Very low | 51.8 | Low | 84 Ų | 84 | 70.5 Ų | 70.5 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -121.1 | 115.3 | 175.7 | 171.9 | -110.5 | 0 | 0 | 0 | 109.9 | E1417 H1467 K1471 | E1417-Y1469 PolarHBondContact O-OH 3Å; H1467-Y1469 PolarHBondContact O-N 3.24Å; Y1469-K1471 HydrophobicContact CD1-CG 3.61Å; Y1469-K1471 HydrophobicContact CE1-CB 4.33Å; Y1469-K1471 HydrophobicContact CE1-CG 3.66Å; Y1469-K1471 PolarHBondContact O-N 3.45Å |
| 1470 | D | 47.5 | Very low | 51.5 | Low | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -71.6 | 92.2 | 175.4 | -164.9 | -25.8 | 0 | 0 | 0 | 109.9 | S1472 R1473 R1474 R1475 F1602 | D1470-S1472 PolarHBondContact O-N 2.84Å; D1470-S1472 VanDerWaalsContact O-N 3.09Å; D1470-S1472 VanDerWaalsContact OD1-CA 3.25Å; D1470-S1472 WeakPolarHBondContact OD1-CA 3.21Å; D1470-S1472 VanDerWaalsContact OD1-CB 3.26Å; D1470-S1472 WeakPolarHBondContact OD1-CB 3.34Å; D1470-S1472 PolarHBondContact OD1-N 2.79Å; D1470-S1472 PolarHBondContact OD1-OG 3.29Å; D1470-R1473 HydrophobicContact CB-CB 4.16Å; D1470-R1473 VanDerWaalsContact CG-N 3.33Å; D1470-R1473 PolarHBondContact O-N 3.38Å; D1470-R1473 PolarHBondContact OD1-N 3.35Å; D1470-R1473 WeakPolarHBondContact OD2-CB 3.49Å; D1470-R1473 WeakPolarHBondContact OD2-CD 3.1Å; D1470-R1473 WeakPolarHBondContact OD2-CG 3.46Å; D1470-R1473 IonicContact OD2-NE 3.66Å; D1470-R1474 WeakPolarHBondContact O-CA 3.35Å; D1470-R1474 PolarHBondContact O-N 3.07Å; D1470-R1475 WeakPolarHBondContact CB-O 3.31Å; D1470-R1475 PolarHBondContact N-O 3.05Å; D1470-F1602 HydrophobicContact CB-CD2 4.46Å; D1470-F1602 HydrophobicContact CB-CE2 3.44Å; D1470-F1602 VanDerWaalsContact CB-CE2 3.44Å; D1470-F1602 HydrophobicContact CB-CZ 3.79Å | ||
| 1471 | K | 39.8 | Very low | 51.1 | Low | 183 Ų | 183 | 70.8 Ų | 70.8 | 80% | 0.796 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -22.2 | 172.8 | -74.5 | 177.1 | 179.6 | 162.2 | 0 | 112.9 | Y1469 | Y1469-K1471 HydrophobicContact CD1-CG 3.61Å; Y1469-K1471 HydrophobicContact CE1-CB 4.33Å; Y1469-K1471 HydrophobicContact CE1-CG 3.66Å; Y1469-K1471 PolarHBondContact O-N 3.45Å |
| 1472 | S | 41.2 | Very low | 50.6 | Low | 102 Ų | 102 | 71.9 Ų | 71.9 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -34.1 | 180 | 83.5 | 0 | 0 | 0 | 0 | 113.6 | D1470 | D1470-S1472 PolarHBondContact O-N 2.84Å; D1470-S1472 VanDerWaalsContact O-N 3.09Å; D1470-S1472 VanDerWaalsContact OD1-CA 3.25Å; D1470-S1472 WeakPolarHBondContact OD1-CA 3.21Å; D1470-S1472 VanDerWaalsContact OD1-CB 3.26Å; D1470-S1472 WeakPolarHBondContact OD1-CB 3.34Å; D1470-S1472 PolarHBondContact OD1-N 2.79Å; D1470-S1472 PolarHBondContact OD1-OG 3.29Å |
| 1473 | R | 50.2 | Low | 50.4 | Low | 168 Ų | 168 | 72.3 Ų | 72.3 | 63% | 0.634 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -5.4 | -178 | -59.3 | -178.9 | 180 | 164.1 | 1.9 | 115.5 | D1470 R1475 | D1470-R1473 HydrophobicContact CB-CB 4.16Å; D1470-R1473 VanDerWaalsContact CG-N 3.33Å; D1470-R1473 PolarHBondContact O-N 3.38Å; D1470-R1473 PolarHBondContact OD1-N 3.35Å; D1470-R1473 WeakPolarHBondContact OD2-CB 3.49Å; D1470-R1473 WeakPolarHBondContact OD2-CD 3.1Å; D1470-R1473 WeakPolarHBondContact OD2-CG 3.46Å; D1470-R1473 IonicContact OD2-NE 3.66Å; R1473-R1475 PolarHBondContact O-N 2.91Å |
| 1474 | R | 42 | Very low | 50.6 | Low | 165 Ų | 165 | 69.1 Ų | 69.1 | 62% | 0.623 | 33% | 0.326 | S | S | * | . | trans | 57.4 | 27.9 | -176.5 | -57.2 | 172.1 | 163.4 | -134.2 | -16.7 | 114 | E1417 D1470 | E1417-R1474 IonicContact OE1-CZ 2.75Å; E1417-R1474 IonicContact OE1-NH1 2.81Å; E1417-R1474 PolarHBondContact OE1-NH1 3.03Å; E1417-R1474 IonicContact OE1-NH2 3.32Å; E1417-R1474 PolarHBondContact OE1-NH2 3.11Å; D1470-R1474 WeakPolarHBondContact O-CA 3.35Å; D1470-R1474 PolarHBondContact O-N 3.07Å | ||
| 1475 | R | 51.4 | Low | 50.7 | Low | 116 Ų | 116 | 68.1 Ų | 68.1 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | trans | -108.9 | 130.7 | 173.1 | -69.4 | -168.1 | 179.6 | 178.6 | 3.8 | 109.5 | D1453 D1456 D1470 R1473 | D1453-R1475 IonicContact OD2-CZ 3Å; D1453-R1475 IonicContact OD2-NH1 3.82Å; D1453-R1475 PolarHBondContact OD2-NH1 3.32Å; D1453-R1475 VanDerWaalsContact OD2-NH1 3.08Å; D1453-R1475 IonicContact OD2-NH2 3.57Å; D1453-R1475 PolarHBondContact OD2-NH2 3.15Å; D1456-R1475 WeakPolarHBondContact OD1-CD 3.42Å; D1456-R1475 IonicContact OD1-CZ 2.65Å; D1456-R1475 IonicContact OD1-NE 3.55Å; D1456-R1475 IonicContact OD1-NH1 3.13Å; D1456-R1475 PolarHBondContact OD1-NH1 2.72Å; D1456-R1475 IonicContact OD2-NH1 3.7Å; D1456-R1475 PolarHBondContact OD2-NH1 2.89Å; D1470-R1475 WeakPolarHBondContact CB-O 3.31Å; D1470-R1475 PolarHBondContact N-O 3.05Å; R1473-R1475 PolarHBondContact O-N 2.91Å | ||
| 1476 | G | 51.9 | Low | 50.6 | Low | 40 Ų | 40 | 71.3 Ų | 71.3 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -113.9 | 159.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1477 | A | 56.1 | Low | 50.5 | Low | 13 Ų | 13 | 65.3 Ų | 65.3 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | trans | -64.6 | 138.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1457 A1459 H1479 | V1457-A1477 HydrophobicContact CG1-CB 4.38Å; A1459-A1477 HydrophobicContact CB-CB 4.11Å; A1477-H1479 PolarHBondContact O-N 3.01Å | ||
| 1478 | I | 56.3 | Low | 50.4 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 104.4 | 178 | -55.8 | 178.5 | 0 | 0 | 0 | 108.9 | V1457 A1459 V1480 | V1457-I1478 PolarHBondContact O-N 3.04Å; A1459-I1478 CarbonylContact C-O 3.54Å; A1459-I1478 PolarHBondContact N-O 2.95Å; I1478-V1480 HydrophobicContact CG2-CG2 4.1Å; I1478-V1480 PolarHBondContact O-N 3.19Å |
| 1479 | H | 57.2 | Low | 50.7 | Low | 42 Ų | 42 | 66.3 Ų | 66.3 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 105.8 | 177.2 | -82 | -98.3 | 0 | 0 | 0 | 111.9 | A1459 G1462 A1477 | A1459-H1479 WeakPolarHBondContact O-CA 3.27Å; G1462-H1479 PolarHBondContact O-CE1 2.8Å; A1477-H1479 PolarHBondContact O-N 3.01Å |
| 1480 | V | 58.8 | Low | 51.2 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | trans | -91.3 | -32.5 | -167.3 | -171.7 | 0 | 0 | 0 | 0 | 114.7 | M1446 I1458 A1459 I1460 I1478 L1510 | M1446-V1480 HydrophobicContact CE-CG1 3.94Å; M1446-V1480 HydrophobicContact SD-CG1 3.85Å; I1458-V1480 HydrophobicContact CG2-CG2 3.48Å; I1458-V1480 VanDerWaalsContact CG2-CG2 3.48Å; A1459-V1480 PolarHBondContact O-N 3.25Å; I1460-V1480 HydrophobicContact CG1-CG2 4.36Å; I1478-V1480 HydrophobicContact CG2-CG2 4.1Å; I1478-V1480 PolarHBondContact O-N 3.19Å; V1480-L1510 HydrophobicContact CG1-CD1 4.08Å; V1480-L1510 HydrophobicContact CG1-CD2 3.93Å; V1480-L1510 HydrophobicContact CG1-CG 4.45Å | ||
| 1481 | I | 58.2 | Low | 51.5 | Low | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -113.9 | -46.7 | -167.3 | -62.7 | -169.9 | 0 | 0 | 0 | 114.5 | I1460 D1461 A1483 F1484 S1485 E1503 A1506 I1507 L1510 | I1460-I1481 HydrophobicContact CG2-CD1 3.34Å; I1460-I1481 HydrophobicContact CG2-CG1 3.86Å; D1461-I1481 HydrophobicContact CB-CB 4.34Å; I1481-A1483 PolarHBondContact O-N 2.96Å; I1481-F1484 PolarHBondContact O-N 2.82Å; I1481-S1485 PolarHBondContact O-N 2.91Å; I1481-E1503 HydrophobicContact CG2-CB 3.79Å; I1481-E1503 HydrophobicContact CG2-CG 3.54Å; I1481-A1506 HydrophobicContact CD1-CB 4.36Å; I1481-I1507 HydrophobicContact CD1-CB 4.34Å; I1481-I1507 HydrophobicContact CD1-CD1 4.5Å; I1481-I1507 HydrophobicContact CD1-CG1 3.4Å; I1481-I1507 VanDerWaalsContact CD1-CG1 3.4Å; I1481-L1510 HydrophobicContact CD1-CD1 3.42Å; I1481-L1510 VanDerWaalsContact CD1-CD1 3.42Å; I1481-L1510 HydrophobicContact CG1-CD1 3.36Å |
| 1482 | S | 51 | Low | 52.2 | Low | 38 Ų | 38 | 58 Ų | 58 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.3 | -164.6 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1483 | A | 47.7 | Very low | 52.7 | Low | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -14.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1426 I1481 | I1426-A1483 HydrophobicContact CD1-CB 3.62Å; I1426-A1483 HydrophobicContact CG2-CB 4.47Å; I1481-A1483 PolarHBondContact O-N 2.96Å |
| 1484 | F | 54.2 | Low | 52.6 | Low | 16 Ų | 16 | 50.3 Ų | 50.3 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -15.1 | -170.2 | -59.4 | -71.5 | 0 | 0 | 0 | 113.6 | I1426 V1430 F1438 F1442 W1445 I1481 L1490 | I1426-F1484 HydrophobicContact CG2-CD1 4.32Å; I1426-F1484 HydrophobicContact CG2-CE1 3.62Å; I1426-F1484 HydrophobicContact CG2-CZ 4.03Å; V1430-F1484 HydrophobicContact CG2-CD1 4.29Å; V1430-F1484 HydrophobicContact CG2-CE1 3.91Å; F1438-F1484 HydrophobicContact CE1-CD1 4.1Å; F1438-F1484 HydrophobicContact CE2-CD1 4.47Å; F1438-F1484 HydrophobicContact CE2-CE1 4.1Å; F1438-F1484 AromaticContact CZ-CD1 3.49Å; F1438-F1484 HydrophobicContact CZ-CD1 3.49Å; F1438-F1484 VanDerWaalsContact CZ-CD1 3.49Å; F1438-F1484 AromaticContact CZ-CE1 3.51Å; F1438-F1484 HydrophobicContact CZ-CE1 3.51Å; F1442-F1484 HydrophobicContact CD2-CE2 4.5Å; F1442-F1484 AromaticContact CE2-CD2 3.88Å; F1442-F1484 HydrophobicContact CE2-CD2 3.88Å; F1442-F1484 AromaticContact CE2-CE2 3.96Å; F1442-F1484 HydrophobicContact CE2-CE2 3.96Å; F1442-F1484 HydrophobicContact CE2-CG 4.3Å; F1442-F1484 HydrophobicContact CE2-CZ 4.43Å; W1445-F1484 HydrophobicContact CH2-CE2 4.39Å; W1445-F1484 HydrophobicContact CH2-CZ 4.37Å; W1445-F1484 AromaticContact CZ3-CE2 3.87Å; W1445-F1484 HydrophobicContact CZ3-CE2 3.87Å; W1445-F1484 AromaticContact CZ3-CZ 3.8Å; W1445-F1484 HydrophobicContact CZ3-CZ 3.8Å; I1481-F1484 PolarHBondContact O-N 2.82Å; F1484-L1490 HydrophobicContact CB-CD1 4.41Å; F1484-L1490 HydrophobicContact CB-CD2 4.08Å |
| 1485 | S | 53 | Low | 52.9 | Low | 19 Ų | 19 | 49.8 Ų | 49.8 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -68.5 | -34.9 | 179.3 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | I1481 M1487 N1502 E1503 | I1481-S1485 PolarHBondContact O-N 2.91Å; S1485-M1487 VanDerWaalsContact C-N 3.26Å; S1485-M1487 PolarHBondContact O-N 3.46Å; S1485-M1487 VanDerWaalsContact O-N 3.15Å; S1485-N1502 WeakPolarHBondContact CB-ND2 3.48Å; S1485-N1502 PolarHBondContact O-ND2 3.31Å; S1485-E1503 WeakPolarHBondContact CB-OE1 3.37Å; S1485-E1503 PolarHBondContact OG-OE1 3.05Å |
| 1486 | T | 50.2 | Low | 52.5 | Low | 73 Ų | 73 | 53.2 Ų | 53.2 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -71.8 | -5.3 | -168.8 | 42.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1487 | M | 48.1 | Very low | 51.8 | Low | 54 Ų | 54 | 53.3 Ų | 53.3 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -119.2 | 7.5 | -163.1 | -71 | -87.5 | -91.9 | 0 | 0 | 115 | A1427 S1485 S1489 | A1427-M1487 HydrophobicContact CB-CE 3.73Å; A1427-M1487 HydrophobicContact CB-SD 4.23Å; A1427-M1487 WeakPolarHBondContact O-CE 3.2Å; S1485-M1487 VanDerWaalsContact C-N 3.26Å; S1485-M1487 PolarHBondContact O-N 3.46Å; S1485-M1487 VanDerWaalsContact O-N 3.15Å; M1487-S1489 PolarHBondContact O-N 2.88Å; M1487-S1489 PolarHBondContact O-OG 2.68Å |
| 1488 | H | 51.6 | Low | 51.2 | Low | 161 Ų | 161 | 61 Ų | 61 | 75% | 0.745 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 56.6 | -5 | -175.2 | -63.4 | -84.1 | 0 | 0 | 0 | 116.7 | Q1494 | H1488-Q1494 PolarHBondContact O-NE2 2.85Š|
| 1489 | S | 55 | Low | 50.8 | Low | 28 Ų | 28 | 67.4 Ų | 67.4 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | trans | -87.5 | -4.4 | -173.7 | -56.5 | 0 | 0 | 0 | 0 | 115.7 | M1487 | M1487-S1489 PolarHBondContact O-N 2.88Å; M1487-S1489 PolarHBondContact O-OG 2.68Å | ||
| 1490 | L | 53.8 | Low | 50.4 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | trans | -104.8 | 99.8 | 177.8 | -151.3 | 83.9 | 0 | 0 | 0 | 110.8 | F1438 F1442 F1484 I1492 | F1438-L1490 HydrophobicContact CE1-CD1 3.75Å; F1438-L1490 HydrophobicContact CZ-CD1 4.46Å; F1442-L1490 HydrophobicContact CB-CD1 4.42Å; F1442-L1490 HydrophobicContact CD1-CD1 3.86Å; F1442-L1490 HydrophobicContact CD2-CD1 4.03Å; F1442-L1490 HydrophobicContact CE1-CD1 4.11Å; F1442-L1490 HydrophobicContact CE1-CD2 4.28Å; F1442-L1490 HydrophobicContact CE2-CD1 4.26Å; F1442-L1490 HydrophobicContact CG-CD1 3.82Å; F1442-L1490 HydrophobicContact CZ-CD1 4.3Å; F1442-L1490 HydrophobicContact CZ-CD2 4.2Å; F1484-L1490 HydrophobicContact CB-CD1 4.41Å; F1484-L1490 HydrophobicContact CB-CD2 4.08Å; L1490-I1492 HydrophobicContact CD2-CD1 4.2Å; L1490-I1492 HydrophobicContact CG-CD1 4.22Å; L1490-I1492 HydrophobicContact CG-CG1 4.35Å; L1490-I1492 PolarHBondContact O-N 2.89Å; L1490-I1492 VanDerWaalsContact O-N 3.16Å | ||
| 1491 | V | 53.7 | Low | 50 | Low | 72 Ų | 72 | 73.6 Ų | 73.6 | 44% | 0.436 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -69.2 | -12.8 | -172.6 | -173.7 | 0 | 0 | 0 | 0 | 113.7 | G1493 Q1494 | V1491-G1493 PolarHBondContact O-N 2.89Å; V1491-Q1494 PolarHBondContact O-N 2.88Å; V1491-Q1494 VanDerWaalsContact O-N 3.14Å |
| 1492 | I | 55 | Low | 49.8 | Very low | 21 Ų | 21 | 76.9 Ų | 76.9 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.7 | -166.6 | -61.9 | 176.3 | 0 | 0 | 0 | 114.2 | F1442 L1490 E1509 L1510 M1513 | F1442-I1492 HydrophobicContact CD1-CD1 3.84Å; F1442-I1492 HydrophobicContact CE1-CD1 3.53Å; L1490-I1492 HydrophobicContact CD2-CD1 4.2Å; L1490-I1492 HydrophobicContact CG-CD1 4.22Å; L1490-I1492 HydrophobicContact CG-CG1 4.35Å; L1490-I1492 PolarHBondContact O-N 2.89Å; L1490-I1492 VanDerWaalsContact O-N 3.16Å; I1492-E1509 HydrophobicContact CG2-CB 3.75Å; I1492-L1510 HydrophobicContact CD1-CD2 4.31Å; I1492-L1510 HydrophobicContact CG2-CG 4.41Å; I1492-M1513 HydrophobicContact CD1-CE 4.27Å; I1492-M1513 HydrophobicContact CD1-SD 4.1Å; I1492-M1513 HydrophobicContact CG1-CE 4.45Å; I1492-M1513 HydrophobicContact CG2-CE 4.42Å |
| 1493 | G | 51.5 | Low | 50.1 | Low | 13 Ų | 13 | 76.8 Ų | 76.8 | 13% | 0.134 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -113.6 | -7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1491 I1495 T1505 | V1491-G1493 PolarHBondContact O-N 2.89Å; G1493-I1495 VanDerWaalsContact C-N 3.33Å; G1493-I1495 PolarHBondContact O-N 2.93Å; G1493-T1505 WeakPolarHBondContact O-CB 3.5Å; G1493-T1505 PolarHBondContact O-OG1 2.95Å |
| 1494 | Q | 48.6 | Very low | 50.7 | Low | 96 Ų | 96 | 77.8 Ų | 77.8 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.1 | -162.8 | -80.5 | 178.7 | -16.7 | 0 | 0 | 115.9 | H1488 V1491 K1496 | H1488-Q1494 PolarHBondContact O-NE2 2.85Å; V1491-Q1494 PolarHBondContact O-N 2.88Å; V1491-Q1494 VanDerWaalsContact O-N 3.14Å; Q1494-K1496 PolarHBondContact O-N 2.76Å; Q1494-K1496 VanDerWaalsContact O-N 3.1Å |
| 1495 | I | 47 | Very low | 51 | Low | 154 Ų | 154 | 78.9 Ų | 78.9 | 79% | 0.79 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -5.5 | -167.8 | -62.2 | 177 | 0 | 0 | 0 | 113.4 | G1493 | G1493-I1495 VanDerWaalsContact C-N 3.33Å; G1493-I1495 PolarHBondContact O-N 2.93Å |
| 1496 | K | 43.8 | Very low | 51.5 | Low | 187 Ų | 187 | 78.2 Ų | 78.2 | 81% | 0.813 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -157.1 | 16.8 | -167.1 | -126 | 177.1 | -166.9 | -179.2 | 0 | 121.5 | Q1494 | Q1494-K1496 PolarHBondContact O-N 2.76Å; Q1494-K1496 VanDerWaalsContact O-N 3.1Å |
| 1497 | T | 36.8 | Very low | 52.6 | Low | 42 Ų | 42 | 74.9 Ų | 74.9 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | trans | -135.4 | 95.5 | -174.1 | 43.3 | 0 | 0 | 0 | 0 | 115.6 | E1499 K1500 T1505 | T1497-E1499 VanDerWaalsContact C-N 3.31Å; T1497-K1500 HydrophobicContact CG2-CB 3.86Å; T1497-T1505 HydrophobicContact CG2-CG2 3.41Å; T1497-T1505 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 1498 | D | 42.6 | Very low | 53.7 | Low | 176 Ų | 176 | 74.8 Ų | 74.8 | 94% | 0.941 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -82.8 | -10.9 | 159.1 | -50.8 | -44.7 | 0 | 0 | 0 | 111.9 | ||
| 1499 | E | 49.7 | Very low | 54.7 | Low | 183 Ų | 183 | 71.3 Ų | 71.3 | 86% | 0.855 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -119.7 | -4.2 | -169 | -61.9 | -173.4 | 159.5 | 0 | 0 | 116 | T1497 | T1497-E1499 VanDerWaalsContact C-N 3.31Š|
| 1500 | K | 47.3 | Very low | 55.5 | Low | 141 Ų | 141 | 70 Ų | 70 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -144.5 | 157.9 | -172.3 | -64.4 | -174.1 | -179.2 | 178.6 | 0 | 112.9 | T1497 | T1497-K1500 HydrophobicContact CG2-CB 3.86Š|
| 1501 | S | 51.7 | Low | 56.7 | Low | 34 Ų | 34 | 69 Ų | 69 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | trans | -61.6 | 144 | 179.9 | 108.7 | 0 | 0 | 0 | 0 | 112.2 | E1503 I1504 T1505 | S1501-E1503 WeakPolarHBondContact CB-OE2 3.31Å; S1501-E1503 PolarHBondContact O-N 2.89Å; S1501-E1503 PolarHBondContact OG-N 3.16Å; S1501-E1503 PolarHBondContact OG-OE2 2.8Å; S1501-I1504 WeakPolarHBondContact O-CB 3.44Å; S1501-I1504 PolarHBondContact O-N 2.8Å; S1501-I1504 PolarHBondContact OG-N 2.87Å; S1501-T1505 PolarHBondContact O-OG1 3Å | ||
| 1502 | N | 53.9 | Low | 57.8 | Low | 75 Ų | 75 | 69.6 Ų | 69.6 | 40% | 0.401 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.5 | -25.8 | 173.9 | 42.6 | -28 | 0 | 0 | 0 | 113.5 | S1485 | S1485-N1502 WeakPolarHBondContact CB-ND2 3.48Å; S1485-N1502 PolarHBondContact O-ND2 3.31Å |
| 1503 | E | 57.4 | Low | 58.6 | Low | 35 Ų | 35 | 71.2 Ų | 71.2 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.9 | -46.9 | 170.7 | -62.9 | 87.6 | -160.3 | 0 | 0 | 111.8 | I1481 S1485 S1501 T1505 A1506 I1507 M1526 | I1481-E1503 HydrophobicContact CG2-CB 3.79Å; I1481-E1503 HydrophobicContact CG2-CG 3.54Å; S1485-E1503 WeakPolarHBondContact CB-OE1 3.37Å; S1485-E1503 PolarHBondContact OG-OE1 3.05Å; S1501-E1503 WeakPolarHBondContact CB-OE2 3.31Å; S1501-E1503 PolarHBondContact O-N 2.89Å; S1501-E1503 PolarHBondContact OG-N 3.16Å; S1501-E1503 PolarHBondContact OG-OE2 2.8Å; E1503-T1505 VanDerWaalsContact C-N 3.3Å; E1503-T1505 PolarHBondContact O-N 3.26Å; E1503-A1506 PolarHBondContact O-N 3.08Å; E1503-A1506 VanDerWaalsContact O-N 3.11Å; E1503-I1507 WeakPolarHBondContact O-CG1 3.01Å; E1503-I1507 PolarHBondContact O-N 2.84Å; E1503-M1526 HydrophobicContact CB-CE 3.9Å |
| 1504 | I | 59.6 | Low | 59.6 | Low | 32 Ų | 32 | 71.4 Ų | 71.4 | 16% | 0.164 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.1 | -45.8 | -175.8 | -68.5 | 174.1 | 0 | 0 | 0 | 111.8 | S1501 P1508 M1526 C1528 | S1501-I1504 WeakPolarHBondContact O-CB 3.44Å; S1501-I1504 PolarHBondContact O-N 2.8Å; S1501-I1504 PolarHBondContact OG-N 2.87Å; I1504-P1508 WeakPolarHBondContact O-CD 3.39Å; I1504-M1526 HydrophobicContact CD1-CB 3.86Å; I1504-M1526 HydrophobicContact CD1-CE 4.5Å; I1504-M1526 HydrophobicContact CD1-CG 4.24Å; I1504-M1526 HydrophobicContact CD1-SD 3.66Å; I1504-M1526 HydrophobicContact CG1-CB 3.86Å; I1504-M1526 HydrophobicContact CG1-CE 3.63Å; I1504-M1526 HydrophobicContact CG1-CG 4.25Å; I1504-M1526 HydrophobicContact CG1-SD 3.44Å; I1504-M1526 WeakPolarHBondContact CG1-SD 3.44Å; I1504-C1528 VanDerWaalsContact CG2-SG 3.57Å |
| 1505 | T | 60.8 | Low | 60.9 | Low | 38 Ų | 38 | 71.1 Ų | 71.1 | 23% | 0.233 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.4 | -21.5 | -176.4 | 23.8 | 0 | 0 | 0 | 0 | 114.1 | G1493 T1497 S1501 E1503 | G1493-T1505 WeakPolarHBondContact O-CB 3.5Å; G1493-T1505 PolarHBondContact O-OG1 2.95Å; T1497-T1505 HydrophobicContact CG2-CG2 3.41Å; T1497-T1505 VanDerWaalsContact CG2-CG2 3.41Å; S1501-T1505 PolarHBondContact O-OG1 3Å; E1503-T1505 VanDerWaalsContact C-N 3.3Å; E1503-T1505 PolarHBondContact O-N 3.26Å |
| 1506 | A | 64 | Low | 62.4 | Low | 6 Ų | 6 | 63.8 Ų | 63.8 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -81.3 | -32.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | I1481 E1503 E1509 L1510 | I1481-A1506 HydrophobicContact CD1-CB 4.36Å; E1503-A1506 PolarHBondContact O-N 3.08Å; E1503-A1506 VanDerWaalsContact O-N 3.11Å; A1506-E1509 PolarHBondContact O-N 3.16Å; A1506-L1510 HydrophobicContact CB-CD1 4.03Å; A1506-L1510 WeakPolarHBondContact O-CG 3.22Å; A1506-L1510 PolarHBondContact O-N 2.57Å |
| 1507 | I | 72.5 | Confident | 64.1 | Low | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -51.7 | -48.4 | -176 | -63.3 | 164.8 | 0 | 0 | 0 | 113 | I1460 I1481 E1503 E1509 L1510 L1511 I1532 | I1460-I1507 HydrophobicContact CG2-CB 4.42Å; I1460-I1507 HydrophobicContact CG2-CG1 3.8Å; I1460-I1507 HydrophobicContact CG2-CG2 4.15Å; I1481-I1507 HydrophobicContact CD1-CB 4.34Å; I1481-I1507 HydrophobicContact CD1-CD1 4.5Å; I1481-I1507 HydrophobicContact CD1-CG1 3.4Å; I1481-I1507 VanDerWaalsContact CD1-CG1 3.4Å; E1503-I1507 WeakPolarHBondContact O-CG1 3.01Å; E1503-I1507 PolarHBondContact O-N 2.84Å; I1507-E1509 VanDerWaalsContact C-N 3.34Å; I1507-E1509 PolarHBondContact O-N 3.12Å; I1507-L1510 PolarHBondContact O-N 2.75Å; I1507-L1511 HydrophobicContact CG2-CD1 3.98Å; I1507-L1511 HydrophobicContact CG2-CG 4.33Å; I1507-L1511 WeakPolarHBondContact O-CG 3.26Å; I1507-L1511 PolarHBondContact O-N 3.13Å; I1507-I1532 HydrophobicContact CB-CD1 4.25Å; I1507-I1532 HydrophobicContact CD1-CD1 3.95Å; I1507-I1532 HydrophobicContact CG2-CD1 3.84Å; I1507-I1532 HydrophobicContact CG2-CG1 3.96Å; I1507-I1532 HydrophobicContact CG2-CG2 3.82Å |
| 1508 | P | 72.1 | Confident | 65.9 | Low | 51 Ų | 51 | 60.7 Ų | 60.7 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.3 | -34.3 | -176.1 | -23.4 | 35.8 | 0 | 0 | 0 | 113.7 | I1504 N1512 K1535 | I1504-P1508 WeakPolarHBondContact O-CD 3.39Å; P1508-N1512 PolarHBondContact O-N 2.87Å; P1508-K1535 PolarHBondContact O-NZ 2.81Å |
| 1509 | E | 71.2 | Confident | 67.5 | Low | 89 Ų | 89 | 52.9 Ų | 52.9 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -80.8 | -33.2 | 176.6 | -78 | -58.3 | 161.3 | 0 | 0 | 112.4 | I1492 A1506 I1507 L1511 N1512 M1513 | I1492-E1509 HydrophobicContact CG2-CB 3.75Å; A1506-E1509 PolarHBondContact O-N 3.16Å; I1507-E1509 VanDerWaalsContact C-N 3.34Å; I1507-E1509 PolarHBondContact O-N 3.12Å; E1509-L1511 VanDerWaalsContact C-N 3.27Å; E1509-L1511 PolarHBondContact O-N 3.43Å; E1509-N1512 VanDerWaalsContact CD-ND2 3.28Å; E1509-N1512 CarbonylContact O-C 3.42Å; E1509-N1512 WeakPolarHBondContact O-CA 3.43Å; E1509-N1512 WeakPolarHBondContact O-CB 3.38Å; E1509-N1512 PolarHBondContact O-N 2.76Å; E1509-N1512 PolarHBondContact OE1-ND2 2.93Å; E1509-N1512 WeakPolarHBondContact OE2-CB 3.36Å; E1509-N1512 PolarHBondContact OE2-ND2 3.15Å; E1509-M1513 WeakPolarHBondContact O-CG 3.12Å; E1509-M1513 PolarHBondContact O-N 2.82Å |
| 1510 | L | 72.8 | Confident | 68.7 | Low | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 172.3 | -71.9 | 163.6 | 0 | 0 | 0 | 111.7 | F1442 M1446 V1480 I1481 I1492 A1506 I1507 N1512 M1513 L1514 | F1442-L1510 HydrophobicContact CE1-CD2 3.88Å; F1442-L1510 HydrophobicContact CZ-CD2 3.98Å; M1446-L1510 HydrophobicContact CE-CD2 3.57Å; M1446-L1510 HydrophobicContact SD-CD2 4.37Å; V1480-L1510 HydrophobicContact CG1-CD1 4.08Å; V1480-L1510 HydrophobicContact CG1-CD2 3.93Å; V1480-L1510 HydrophobicContact CG1-CG 4.45Å; I1481-L1510 HydrophobicContact CD1-CD1 3.42Å; I1481-L1510 VanDerWaalsContact CD1-CD1 3.42Å; I1481-L1510 HydrophobicContact CG1-CD1 3.36Å; I1492-L1510 HydrophobicContact CD1-CD2 4.31Å; I1492-L1510 HydrophobicContact CG2-CG 4.41Å; A1506-L1510 HydrophobicContact CB-CD1 4.03Å; A1506-L1510 WeakPolarHBondContact O-CG 3.22Å; A1506-L1510 PolarHBondContact O-N 2.57Å; I1507-L1510 PolarHBondContact O-N 2.75Å; L1510-N1512 VanDerWaalsContact C-N 3.28Å; L1510-N1512 PolarHBondContact O-N 3.35Å; L1510-M1513 PolarHBondContact O-N 3.3Å; L1510-M1513 VanDerWaalsContact O-N 3.09Å; L1510-L1514 WeakPolarHBondContact O-CG 3.34Å; L1510-L1514 PolarHBondContact O-N 3.08Å; L1510-L1514 VanDerWaalsContact O-N 3.13Å |
| 1511 | L | 78 | Confident | 70.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.2 | -22.8 | 169.2 | -70.2 | 175.5 | 0 | 0 | 0 | 113.9 | I1460 I1507 E1509 I1516 I1521 I1532 K1535 I1536 Q1539 | I1460-L1511 HydrophobicContact CD1-CD2 3.73Å; I1460-L1511 HydrophobicContact CD1-CG 4.34Å; I1507-L1511 HydrophobicContact CG2-CD1 3.98Å; I1507-L1511 HydrophobicContact CG2-CG 4.33Å; I1507-L1511 WeakPolarHBondContact O-CG 3.26Å; I1507-L1511 PolarHBondContact O-N 3.13Å; E1509-L1511 VanDerWaalsContact C-N 3.27Å; E1509-L1511 PolarHBondContact O-N 3.43Å; L1511-I1516 HydrophobicContact CD2-CD1 4.01Å; L1511-I1516 HydrophobicContact CD2-CG2 4.18Å; L1511-I1521 HydrophobicContact CD2-CG2 4.35Å; L1511-I1532 HydrophobicContact CD1-CG2 4.05Å; L1511-K1535 HydrophobicContact CB-CD 4.21Å; L1511-K1535 HydrophobicContact CD1-CB 4.47Å; L1511-K1535 HydrophobicContact CD1-CD 4.22Å; L1511-K1535 HydrophobicContact CD1-CG 4.42Å; L1511-I1536 HydrophobicContact CD1-CD1 4.39Å; L1511-I1536 HydrophobicContact CD1-CG1 3.86Å; L1511-I1536 HydrophobicContact CD2-CG1 3.8Å; L1511-Q1539 PolarHBondContact O-NE2 2.88Å; L1511-Q1539 PolarHBondContact O-OE1 3.17Å |
| 1512 | N | 77.6 | Confident | 71.3 | Confident | 84 Ų | 84 | 36.1 Ų | 36.1 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -79.3 | -24.9 | 169.3 | -73.3 | -28.2 | 0 | 0 | 0 | 112.4 | P1508 E1509 L1510 K1535 | P1508-N1512 PolarHBondContact O-N 2.87Å; E1509-N1512 VanDerWaalsContact CD-ND2 3.28Å; E1509-N1512 CarbonylContact O-C 3.42Å; E1509-N1512 WeakPolarHBondContact O-CA 3.43Å; E1509-N1512 WeakPolarHBondContact O-CB 3.38Å; E1509-N1512 PolarHBondContact O-N 2.76Å; E1509-N1512 PolarHBondContact OE1-ND2 2.93Å; E1509-N1512 WeakPolarHBondContact OE2-CB 3.36Å; E1509-N1512 PolarHBondContact OE2-ND2 3.15Å; L1510-N1512 VanDerWaalsContact C-N 3.28Å; L1510-N1512 PolarHBondContact O-N 3.35Å; N1512-K1535 PolarHBondContact ND2-NZ 2.82Å; N1512-K1535 VanDerWaalsContact OD1-CE 3.29Å; N1512-K1535 WeakPolarHBondContact OD1-CE 3.28Å; N1512-K1535 PolarHBondContact OD1-NZ 2.94Å |
| 1513 | M | 72.2 | Confident | 72 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -92.2 | -7.4 | -176.2 | -67.2 | -178.7 | -171 | 0 | 0 | 114.1 | M1446 H1450 I1492 E1509 L1510 | M1446-M1513 HydrophobicContact CE-CB 4.43Å; H1450-M1513 PolarHBondContact CE1-O 2.83Å; H1450-M1513 VanDerWaalsContact CE1-O 3.27Å; I1492-M1513 HydrophobicContact CD1-CE 4.27Å; I1492-M1513 HydrophobicContact CD1-SD 4.1Å; I1492-M1513 HydrophobicContact CG1-CE 4.45Å; I1492-M1513 HydrophobicContact CG2-CE 4.42Å; E1509-M1513 WeakPolarHBondContact O-CG 3.12Å; E1509-M1513 PolarHBondContact O-N 2.82Å; L1510-M1513 PolarHBondContact O-N 3.3Å; L1510-M1513 VanDerWaalsContact O-N 3.09Å |
| 1514 | L | 72.4 | Confident | 72.4 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -112.7 | 133.5 | -179.9 | -71.6 | 167.7 | 0 | 0 | 0 | 110.9 | M1446 I1458 I1460 L1510 I1516 | M1446-L1514 HydrophobicContact CE-CD1 3.9Å; M1446-L1514 HydrophobicContact CE-CD2 3.44Å; M1446-L1514 VanDerWaalsContact CE-CD2 3.44Å; M1446-L1514 HydrophobicContact CE-CG 3.45Å; M1446-L1514 VanDerWaalsContact CE-CG 3.45Å; M1446-L1514 HydrophobicContact SD-CD2 4.33Å; I1458-L1514 HydrophobicContact CD1-CD1 4.37Å; I1458-L1514 HydrophobicContact CD1-CD2 4.46Å; I1458-L1514 HydrophobicContact CG2-CD1 4.21Å; I1460-L1514 HydrophobicContact CD1-CD1 4.25Å; L1510-L1514 WeakPolarHBondContact O-CG 3.34Å; L1510-L1514 PolarHBondContact O-N 3.08Å; L1510-L1514 VanDerWaalsContact O-N 3.13Å; L1514-I1516 HydrophobicContact CB-CG2 3.57Å; L1514-I1516 HydrophobicContact CD1-CG2 4.33Å; L1514-I1516 PolarHBondContact O-N 2.8Å; L1514-I1516 VanDerWaalsContact O-N 3.1Å |
| 1515 | D | 75.3 | Confident | 72.1 | Confident | 89 Ų | 89 | 30.5 Ų | 30.5 | 48% | 0.476 | 16% | 0.164 | S | C | . | . | trans | -75.6 | 94.1 | 158 | -167.4 | -2.2 | 0 | 0 | 0 | 109.2 | H1450 K1517 | H1450-D1515 PolarHBondContact NE2-N 2.76Å; D1515-K1517 VanDerWaalsContact C-N 3.33Å; D1515-K1517 VanDerWaalsContact OD1-CB 3.27Å; D1515-K1517 WeakPolarHBondContact OD1-CB 3.47Å; D1515-K1517 PolarHBondContact OD1-N 2.84Å | ||
| 1516 | I | 79.3 | Confident | 71.9 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -89.4 | 2.7 | 179.7 | 60.8 | 154.9 | 0 | 0 | 0 | 113.2 | L1511 L1514 G1518 K1519 I1521 I1536 Q1539 G1541 | L1511-I1516 HydrophobicContact CD2-CD1 4.01Å; L1511-I1516 HydrophobicContact CD2-CG2 4.18Å; L1514-I1516 HydrophobicContact CB-CG2 3.57Å; L1514-I1516 HydrophobicContact CD1-CG2 4.33Å; L1514-I1516 PolarHBondContact O-N 2.8Å; L1514-I1516 VanDerWaalsContact O-N 3.1Å; I1516-G1518 PolarHBondContact O-N 2.92Å; I1516-K1519 PolarHBondContact O-N 2.8Å; I1516-I1521 HydrophobicContact CB-CD1 3.81Å; I1516-I1521 HydrophobicContact CB-CG1 4.1Å; I1516-I1521 HydrophobicContact CD1-CG1 4.23Å; I1516-I1521 HydrophobicContact CG2-CD1 3.55Å; I1516-I1521 HydrophobicContact CG2-CG1 4.14Å; I1516-I1536 HydrophobicContact CD1-CB 4.06Å; I1516-I1536 HydrophobicContact CD1-CG1 4.1Å; I1516-I1536 HydrophobicContact CD1-CG2 3.93Å; I1516-Q1539 HydrophobicContact CD1-CB 3.66Å; I1516-Q1539 HydrophobicContact CG1-CB 3.67Å; I1516-G1541 WeakPolarHBondContact O-CA 3.46Å | ||
| 1517 | K | 79.4 | Confident | 71.6 | Confident | 140 Ų | 140 | 33.3 Ų | 33.3 | 61% | 0.609 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 124.6 | -175.3 | -169.3 | -177.5 | 176.4 | -167.7 | 0 | 110.5 | D1515 K1519 G1540 | D1515-K1517 VanDerWaalsContact C-N 3.33Å; D1515-K1517 VanDerWaalsContact OD1-CB 3.27Å; D1515-K1517 WeakPolarHBondContact OD1-CB 3.47Å; D1515-K1517 PolarHBondContact OD1-N 2.84Å; K1517-K1519 PolarHBondContact O-N 2.73Å; K1517-G1540 CarbonylContact C-O 3.57Å; K1517-G1540 WeakPolarHBondContact CA-O 3.14Å |
| 1518 | G | 74.8 | Confident | 71.2 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 5.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1454 I1516 G1540 | D1454-G1518 CarbonylContact C-O 3.53Å; I1516-G1518 PolarHBondContact O-N 2.92Å; G1518-G1540 PolarHBondContact N-O 2.77Å |
| 1519 | K | 75.8 | Confident | 71 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -102 | 147.8 | 178.8 | -55.3 | -163.3 | -179 | -166.7 | 0 | 110.4 | S1452 D1456 I1458 I1516 K1517 I1521 G1541 D1542 | S1452-K1519 PolarHBondContact O-NZ 2.94Å; S1452-K1519 PolarHBondContact OG-NZ 2.88Å; D1456-K1519 WeakPolarHBondContact O-CA 3.41Å; D1456-K1519 WeakPolarHBondContact O-CB 3.45Å; I1458-K1519 HydrophobicContact CD1-CB 4.35Å; I1458-K1519 HydrophobicContact CD1-CD 3.96Å; I1516-K1519 PolarHBondContact O-N 2.8Å; K1517-K1519 PolarHBondContact O-N 2.73Å; K1519-I1521 HydrophobicContact CB-CD1 4.45Å; K1519-G1541 WeakPolarHBondContact O-CA 3.49Å; K1519-D1542 PolarHBondContact O-N 2.87Å |
| 1520 | I | 74.6 | Confident | 71 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118 | 179.4 | -61.5 | 164.6 | 0 | 0 | 0 | 108.7 | D1456 V1457 I1458 T1522 D1542 V1595 L1599 | D1456-I1520 PolarHBondContact O-N 3.4Å; V1457-I1520 WeakPolarHBondContact CA-O 3.32Å; V1457-I1520 HydrophobicContact CG2-CB 4.25Å; V1457-I1520 HydrophobicContact CG2-CD1 4.27Å; I1458-I1520 PolarHBondContact N-O 2.62Å; I1520-T1522 HydrophobicContact CG2-CG2 4.17Å; I1520-D1542 WeakPolarHBondContact CA-O 3.27Å; I1520-D1542 HydrophobicContact CG1-CB 4.11Å; I1520-V1595 HydrophobicContact CD1-CG1 3.74Å; I1520-V1595 HydrophobicContact CD1-CG2 4.41Å; I1520-V1595 HydrophobicContact CG1-CG1 4.45Å; I1520-V1595 HydrophobicContact CG1-CG2 4.27Å; I1520-V1595 HydrophobicContact CG2-CG2 4.03Å; I1520-L1599 HydrophobicContact CD1-CB 3.83Å; I1520-L1599 HydrophobicContact CD1-CD1 3.68Å; I1520-L1599 HydrophobicContact CD1-CD2 4.46Å; I1520-L1599 HydrophobicContact CD1-CG 4.18Å |
| 1521 | I | 78.4 | Confident | 71.1 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.2 | -179.6 | -49.9 | -53.5 | 0 | 0 | 0 | 110.4 | I1458 I1460 L1511 I1516 K1519 I1536 D1542 Y1543 L1544 | I1458-I1521 HydrophobicContact CB-CD1 3.78Å; I1458-I1521 HydrophobicContact CD1-CD1 3.97Å; I1458-I1521 HydrophobicContact CG1-CD1 4.17Å; I1458-I1521 HydrophobicContact CG2-CD1 4.49Å; I1458-I1521 WeakPolarHBondContact O-CA 3.2Å; I1460-I1521 HydrophobicContact CD1-CG2 3.59Å; I1460-I1521 HydrophobicContact CG1-CG2 3.97Å; L1511-I1521 HydrophobicContact CD2-CG2 4.35Å; I1516-I1521 HydrophobicContact CB-CD1 3.81Å; I1516-I1521 HydrophobicContact CB-CG1 4.1Å; I1516-I1521 HydrophobicContact CD1-CG1 4.23Å; I1516-I1521 HydrophobicContact CG2-CD1 3.55Å; I1516-I1521 HydrophobicContact CG2-CG1 4.14Å; K1519-I1521 HydrophobicContact CB-CD1 4.45Å; I1521-I1536 HydrophobicContact CB-CD1 3.86Å; I1521-I1536 HydrophobicContact CB-CG1 4.2Å; I1521-I1536 HydrophobicContact CB-CG2 4.07Å; I1521-I1536 HydrophobicContact CG1-CD1 4.48Å; I1521-I1536 HydrophobicContact CG1-CG1 4.26Å; I1521-I1536 HydrophobicContact CG1-CG2 3.83Å; I1521-I1536 HydrophobicContact CG2-CD1 3.61Å; I1521-I1536 HydrophobicContact CG2-CG1 4.13Å; I1521-D1542 PolarHBondContact N-O 3.45Å; I1521-Y1543 VanDerWaalsContact O-CA 3.26Å; I1521-Y1543 WeakPolarHBondContact O-CA 3.4Å; I1521-L1544 PolarHBondContact O-N 3.48Å |
| 1522 | T | 74.4 | Confident | 71.1 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.4 | -179.4 | 85.9 | 0 | 0 | 0 | 0 | 111.4 | V1457 I1458 A1459 I1460 L1465 I1520 L1544 | V1457-T1522 HydrophobicContact CG1-CG2 3.83Å; I1458-T1522 PolarHBondContact O-N 2.73Å; A1459-T1522 WeakPolarHBondContact CA-OG1 3.17Å; I1460-T1522 PolarHBondContact N-O 3.17Å; L1465-T1522 HydrophobicContact CD1-CG2 3.81Å; L1465-T1522 WeakPolarHBondContact CD1-OG1 3.38Å; I1520-T1522 HydrophobicContact CG2-CG2 4.17Å; T1522-L1544 VanDerWaalsContact CA-O 3.31Å; T1522-L1544 WeakPolarHBondContact CA-O 3.19Å; T1522-L1544 HydrophobicContact CG2-CB 3.94Å; T1522-L1544 HydrophobicContact CG2-CD2 4.4Å |
| 1523 | T | 70 | Confident | 71.1 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 145 | -176.4 | -175.1 | 0 | 0 | 0 | 0 | 113.3 | I1460 F1545 | I1460-T1523 VanDerWaalsContact O-CA 3.24Å; I1460-T1523 WeakPolarHBondContact O-CA 3.47Å; I1460-T1523 WeakPolarHBondContact O-CB 3.36Å; I1460-T1523 PolarHBondContact O-OG1 2.79Å; T1523-F1545 HydrophobicContact CG2-CD1 3.41Å; T1523-F1545 VanDerWaalsContact CG2-CD1 3.41Å; T1523-F1545 HydrophobicContact CG2-CE1 3.16Å; T1523-F1545 HydrophobicContact CG2-CZ 4.18Å |
| 1524 | D | 64.7 | Low | 71.4 | Confident | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | trans | -77.8 | 163.3 | -177.7 | -158.1 | -4.7 | 0 | 0 | 0 | 113.5 | D1461 K1463 M1526 Q1529 R1588 | D1461-D1524 VanDerWaalsContact O-CB 3.25Å; D1461-D1524 WeakPolarHBondContact O-CB 3.5Å; D1461-D1524 PolarHBondContact O-N 2.98Å; K1463-D1524 WeakPolarHBondContact CB-OD2 3.46Å; D1524-M1526 PolarHBondContact O-N 3.37Å; D1524-M1526 VanDerWaalsContact O-N 3.08Å; D1524-Q1529 PolarHBondContact O-NE2 2.8Å; D1524-R1588 IonicContact OD1-CZ 2.72Å; D1524-R1588 VanDerWaalsContact OD1-CZ 3.3Å; D1524-R1588 IonicContact OD1-NH1 3.85Å; D1524-R1588 PolarHBondContact OD1-NH1 2.88Å; D1524-R1588 IonicContact OD1-NH2 3.08Å; D1524-R1588 PolarHBondContact OD1-NH2 3.14Å; D1524-R1588 IonicContact OD2-CZ 2.82Å; D1524-R1588 IonicContact OD2-NH1 3.38Å; D1524-R1588 PolarHBondContact OD2-NH1 3.01Å; D1524-R1588 IonicContact OD2-NH2 2.83Å; D1524-R1588 PolarHBondContact OD2-NH2 3.05Å | ||
| 1525 | A | 53.3 | Low | 72 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | trans | -73.2 | 95.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1546 K1548 | A1525-A1546 WeakPolarHBondContact CB-O 3.08Å; A1525-A1546 PolarHBondContact N-O 3.07Å; A1525-K1548 HydrophobicContact CB-CB 4.37Å; A1525-K1548 HydrophobicContact CB-CD 4.25Å; A1525-K1548 HydrophobicContact CB-CG 3.79Å | ||
| 1526 | M | 56.8 | Low | 72.3 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 20% | 0.197 | 17% | 0.171 | C | C | . | . | trans | -126.7 | 149.4 | 162.8 | -66.8 | -173.3 | -73.7 | 0 | 0 | 111.3 | D1461 E1503 I1504 D1524 C1528 Q1529 | D1461-M1526 WeakPolarHBondContact OD2-CE 3.18Å; E1503-M1526 HydrophobicContact CB-CE 3.9Å; I1504-M1526 HydrophobicContact CD1-CB 3.86Å; I1504-M1526 HydrophobicContact CD1-CE 4.5Å; I1504-M1526 HydrophobicContact CD1-CG 4.24Å; I1504-M1526 HydrophobicContact CD1-SD 3.66Å; I1504-M1526 HydrophobicContact CG1-CB 3.86Å; I1504-M1526 HydrophobicContact CG1-CE 3.63Å; I1504-M1526 HydrophobicContact CG1-CG 4.25Å; I1504-M1526 HydrophobicContact CG1-SD 3.44Å; I1504-M1526 WeakPolarHBondContact CG1-SD 3.44Å; D1524-M1526 PolarHBondContact O-N 3.37Å; D1524-M1526 VanDerWaalsContact O-N 3.08Å; M1526-C1528 PolarHBondContact O-N 3.01Å; M1526-Q1529 PolarHBondContact O-N 3.2Å | ||
| 1527 | G | 59.1 | Low | 72.3 | Confident | 62 Ų | 62 | 34.8 Ų | 34.8 | 64% | 0.639 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 21.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1528 | C | 63.5 | Low | 72.5 | Confident | 31 Ų | 31 | 35.4 Ų | 35.4 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 2.5 | 178.2 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | I1504 M1526 K1530 D1531 I1532 | I1504-C1528 VanDerWaalsContact CG2-SG 3.57Å; M1526-C1528 PolarHBondContact O-N 3.01Å; C1528-K1530 PolarHBondContact O-N 2.82Å; C1528-D1531 PolarHBondContact O-N 3.05Å; C1528-D1531 VanDerWaalsContact O-N 3.08Å; C1528-I1532 HydrophobicContact CB-CD1 4.34Å; C1528-I1532 PolarHBondContact O-N 2.91Å |
| 1529 | Q | 67.4 | Low | 73 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -47.3 | -35.5 | -179.6 | -82.3 | 179.4 | -28.7 | 0 | 0 | 114.3 | D1524 M1526 D1531 I1532 A1533 F1545 A1546 F1558 | D1524-Q1529 PolarHBondContact O-NE2 2.8Å; M1526-Q1529 PolarHBondContact O-N 3.2Å; Q1529-D1531 PolarHBondContact O-N 2.9Å; Q1529-I1532 PolarHBondContact O-N 2.93Å; Q1529-A1533 VanDerWaalsContact O-CB 3.24Å; Q1529-A1533 WeakPolarHBondContact O-CB 3.37Å; Q1529-A1533 PolarHBondContact O-N 3.4Å; Q1529-F1545 HydrophobicContact CB-CD1 4.12Å; Q1529-F1545 HydrophobicContact CB-CE1 4.1Å; Q1529-F1545 HydrophobicContact CG-CD1 3.66Å; Q1529-F1545 HydrophobicContact CG-CE1 3.87Å; Q1529-A1546 PolarHBondContact NE2-O 2.94Å; Q1529-F1558 HydrophobicContact CB-CE2 4Å |
| 1530 | K | 71.2 | Confident | 73.2 | Confident | 78 Ų | 78 | 38.5 Ų | 38.5 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.6 | -44.5 | 179.1 | -176.9 | 179.6 | -176.2 | 170.6 | 0 | 113.6 | C1528 E1534 K1561 | C1528-K1530 PolarHBondContact O-N 2.82Å; K1530-E1534 WeakPolarHBondContact O-CB 3.46Å; K1530-E1534 PolarHBondContact O-N 2.83Å; K1530-E1534 VanDerWaalsContact O-N 3.17Å; K1530-K1561 HydrophobicContact CD-CD 4.46Å; K1530-K1561 HydrophobicContact CG-CD 4.3Å |
| 1531 | D | 76 | Confident | 73.3 | Confident | 108 Ų | 108 | 38.6 Ų | 38.6 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -80.8 | -30 | -176.6 | -58.4 | -28.1 | 0 | 0 | 0 | 110.8 | C1528 Q1529 K1535 | C1528-D1531 PolarHBondContact O-N 3.05Å; C1528-D1531 VanDerWaalsContact O-N 3.08Å; Q1529-D1531 PolarHBondContact O-N 2.9Å; D1531-K1535 WeakPolarHBondContact O-CB 3.23Å; D1531-K1535 PolarHBondContact O-N 3.49Å; D1531-K1535 VanDerWaalsContact O-N 3.07Å |
| 1532 | I | 77.4 | Confident | 73.2 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -49.2 | 172.9 | -66.6 | 166.7 | 0 | 0 | 0 | 110.3 | I1507 L1511 C1528 Q1529 E1534 K1535 I1536 F1545 | I1507-I1532 HydrophobicContact CB-CD1 4.25Å; I1507-I1532 HydrophobicContact CD1-CD1 3.95Å; I1507-I1532 HydrophobicContact CG2-CD1 3.84Å; I1507-I1532 HydrophobicContact CG2-CG1 3.96Å; I1507-I1532 HydrophobicContact CG2-CG2 3.82Å; L1511-I1532 HydrophobicContact CD1-CG2 4.05Å; C1528-I1532 HydrophobicContact CB-CD1 4.34Å; C1528-I1532 PolarHBondContact O-N 2.91Å; Q1529-I1532 PolarHBondContact O-N 2.93Å; I1532-E1534 PolarHBondContact O-N 2.87Å; I1532-K1535 WeakPolarHBondContact O-CB 3.37Å; I1532-K1535 PolarHBondContact O-N 2.68Å; I1532-K1535 VanDerWaalsContact O-N 3.11Å; I1532-I1536 HydrophobicContact CG2-CD1 3.79Å; I1532-I1536 WeakPolarHBondContact O-CG1 3.14Å; I1532-I1536 PolarHBondContact O-N 3.39Å; I1532-F1545 HydrophobicContact CG2-CE1 4.19Å; I1532-F1545 HydrophobicContact CG2-CZ 4.2Å |
| 1533 | A | 76.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q1529 K1535 I1536 Q1537 F1545 F1558 F1562 | Q1529-A1533 VanDerWaalsContact O-CB 3.24Å; Q1529-A1533 WeakPolarHBondContact O-CB 3.37Å; Q1529-A1533 PolarHBondContact O-N 3.4Å; A1533-K1535 PolarHBondContact O-N 2.84Å; A1533-I1536 PolarHBondContact O-N 2.71Å; A1533-Q1537 WeakPolarHBondContact O-CB 3.33Å; A1533-Q1537 PolarHBondContact O-N 3.3Å; A1533-F1545 HydrophobicContact CB-CD2 4.35Å; A1533-F1545 HydrophobicContact CB-CE2 3.35Å; A1533-F1545 HydrophobicContact CB-CZ 3.5Å; A1533-F1545 VanDerWaalsContact CB-CZ 3.5Å; A1533-F1558 HydrophobicContact CB-CE2 3.99Å; A1533-F1558 HydrophobicContact CB-CZ 3.73Å; A1533-F1562 HydrophobicContact CB-CE1 4.48Å; A1533-F1562 HydrophobicContact CB-CE2 3.75Å; A1533-F1562 HydrophobicContact CB-CZ 3.66Å |
| 1534 | E | 80.2 | Confident | 73.3 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 23% | 0.229 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -25.6 | 178.4 | -174.1 | 172.4 | -156.1 | 0 | 0 | 112.4 | K1530 I1532 K1538 K1561 F1562 | K1530-E1534 WeakPolarHBondContact O-CB 3.46Å; K1530-E1534 PolarHBondContact O-N 2.83Å; K1530-E1534 VanDerWaalsContact O-N 3.17Å; I1532-E1534 PolarHBondContact O-N 2.87Å; E1534-K1538 VanDerWaalsContact CD-NZ 3.31Å; E1534-K1538 HydrophobicContact CG-CD 4.25Å; E1534-K1538 VanDerWaalsContact CG-NZ 3.3Å; E1534-K1538 VanDerWaalsContact O-CB 3.31Å; E1534-K1538 WeakPolarHBondContact O-CB 3.29Å; E1534-K1538 VanDerWaalsContact O-CD 3.29Å; E1534-K1538 WeakPolarHBondContact O-CD 3.48Å; E1534-K1538 WeakPolarHBondContact O-CG 3.5Å; E1534-K1538 PolarHBondContact O-N 2.66Å; E1534-K1538 IonicContact OE1-NZ 3.97Å; E1534-K1538 PolarHBondContact OE1-NZ 2.83Å; E1534-K1538 VanDerWaalsContact OE1-NZ 3.1Å; E1534-K1561 IonicContact OE1-NZ 3.24Å; E1534-K1561 PolarHBondContact OE1-NZ 3.29Å; E1534-K1561 IonicContact OE2-NZ 2.89Å; E1534-K1561 PolarHBondContact OE2-NZ 2.87Å; E1534-F1562 HydrophobicContact CB-CZ 4.23Å |
| 1535 | K | 84.4 | Confident | 73.7 | Confident | 51 Ų | 51 | 40 Ų | 40 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.3 | -45.7 | 172.2 | -171.3 | 172.5 | -175.9 | 174.1 | 0 | 112.1 | P1508 L1511 N1512 D1531 I1532 A1533 Q1537 K1538 Q1539 | P1508-K1535 PolarHBondContact O-NZ 2.81Å; L1511-K1535 HydrophobicContact CB-CD 4.21Å; L1511-K1535 HydrophobicContact CD1-CB 4.47Å; L1511-K1535 HydrophobicContact CD1-CD 4.22Å; L1511-K1535 HydrophobicContact CD1-CG 4.42Å; N1512-K1535 PolarHBondContact ND2-NZ 2.82Å; N1512-K1535 VanDerWaalsContact OD1-CE 3.29Å; N1512-K1535 WeakPolarHBondContact OD1-CE 3.28Å; N1512-K1535 PolarHBondContact OD1-NZ 2.94Å; D1531-K1535 WeakPolarHBondContact O-CB 3.23Å; D1531-K1535 PolarHBondContact O-N 3.49Å; D1531-K1535 VanDerWaalsContact O-N 3.07Å; I1532-K1535 WeakPolarHBondContact O-CB 3.37Å; I1532-K1535 PolarHBondContact O-N 2.68Å; I1532-K1535 VanDerWaalsContact O-N 3.11Å; A1533-K1535 PolarHBondContact O-N 2.84Å; K1535-Q1537 PolarHBondContact O-N 3.44Å; K1535-K1538 PolarHBondContact O-N 2.8Å; K1535-Q1539 WeakPolarHBondContact O-CG 3.27Å; K1535-Q1539 PolarHBondContact O-N 2.73Å |
| 1536 | I | 81.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 176.5 | -67.7 | 157.5 | 0 | 0 | 0 | 110.2 | L1511 I1516 I1521 I1532 A1533 K1538 Q1539 G1540 G1541 Y1543 F1545 | L1511-I1536 HydrophobicContact CD1-CD1 4.39Å; L1511-I1536 HydrophobicContact CD1-CG1 3.86Å; L1511-I1536 HydrophobicContact CD2-CG1 3.8Å; I1516-I1536 HydrophobicContact CD1-CB 4.06Å; I1516-I1536 HydrophobicContact CD1-CG1 4.1Å; I1516-I1536 HydrophobicContact CD1-CG2 3.93Å; I1521-I1536 HydrophobicContact CB-CD1 3.86Å; I1521-I1536 HydrophobicContact CB-CG1 4.2Å; I1521-I1536 HydrophobicContact CB-CG2 4.07Å; I1521-I1536 HydrophobicContact CG1-CD1 4.48Å; I1521-I1536 HydrophobicContact CG1-CG1 4.26Å; I1521-I1536 HydrophobicContact CG1-CG2 3.83Å; I1521-I1536 HydrophobicContact CG2-CD1 3.61Å; I1521-I1536 HydrophobicContact CG2-CG1 4.13Å; I1532-I1536 HydrophobicContact CG2-CD1 3.79Å; I1532-I1536 WeakPolarHBondContact O-CG1 3.14Å; I1532-I1536 PolarHBondContact O-N 3.39Å; A1533-I1536 PolarHBondContact O-N 2.71Å; I1536-K1538 VanDerWaalsContact C-N 3.34Å; I1536-K1538 PolarHBondContact O-N 3Å; I1536-Q1539 CarbonylContact O-C 3.5Å; I1536-Q1539 PolarHBondContact O-N 2.85Å; I1536-Q1539 VanDerWaalsContact O-N 3.12Å; I1536-G1540 PolarHBondContact O-N 2.97Å; I1536-G1541 WeakPolarHBondContact CG2-O 3.32Å; I1536-G1541 PolarHBondContact O-N 2.91Å; I1536-G1541 VanDerWaalsContact O-N 3.1Å; I1536-Y1543 HydrophobicContact CG2-CD1 4.13Å; I1536-F1545 HydrophobicContact CD1-CZ 3.95Å |
| 1537 | Q | 80.2 | Confident | 74.7 | Confident | 92 Ų | 92 | 37.8 Ų | 37.8 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 177.9 | -164.8 | -178 | 43.5 | 0 | 0 | 112.6 | A1533 K1535 Q1539 G1540 Y1543 | A1533-Q1537 WeakPolarHBondContact O-CB 3.33Å; A1533-Q1537 PolarHBondContact O-N 3.3Å; K1535-Q1537 PolarHBondContact O-N 3.44Å; Q1537-Q1539 VanDerWaalsContact C-N 3.31Å; Q1537-Q1539 PolarHBondContact O-N 2.82Å; Q1537-G1540 PolarHBondContact O-N 3.05Å; Q1537-G1540 VanDerWaalsContact O-N 3.13Å; Q1537-Y1543 HydrophobicContact CB-CE1 4.26Å |
| 1538 | K | 83.3 | Confident | 75 | Confident | 154 Ų | 154 | 36.8 Ų | 36.8 | 67% | 0.67 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -68.9 | -25.8 | 176.9 | -80.8 | 171.1 | -171.7 | 162.6 | 0 | 113.7 | E1534 K1535 I1536 G1540 | E1534-K1538 VanDerWaalsContact CD-NZ 3.31Å; E1534-K1538 HydrophobicContact CG-CD 4.25Å; E1534-K1538 VanDerWaalsContact CG-NZ 3.3Å; E1534-K1538 VanDerWaalsContact O-CB 3.31Å; E1534-K1538 WeakPolarHBondContact O-CB 3.29Å; E1534-K1538 VanDerWaalsContact O-CD 3.29Å; E1534-K1538 WeakPolarHBondContact O-CD 3.48Å; E1534-K1538 WeakPolarHBondContact O-CG 3.5Å; E1534-K1538 PolarHBondContact O-N 2.66Å; E1534-K1538 IonicContact OE1-NZ 3.97Å; E1534-K1538 PolarHBondContact OE1-NZ 2.83Å; E1534-K1538 VanDerWaalsContact OE1-NZ 3.1Å; K1535-K1538 PolarHBondContact O-N 2.8Å; I1536-K1538 VanDerWaalsContact C-N 3.34Å; I1536-K1538 PolarHBondContact O-N 3Å; K1538-G1540 VanDerWaalsContact C-N 3.33Å |
| 1539 | Q | 84 | Confident | 75 | Confident | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -87.3 | -7.1 | 173.2 | -68.6 | 175 | -59.6 | 0 | 0 | 112.2 | L1511 I1516 K1535 I1536 Q1537 | L1511-Q1539 PolarHBondContact O-NE2 2.88Å; L1511-Q1539 PolarHBondContact O-OE1 3.17Å; I1516-Q1539 HydrophobicContact CD1-CB 3.66Å; I1516-Q1539 HydrophobicContact CG1-CB 3.67Å; K1535-Q1539 WeakPolarHBondContact O-CG 3.27Å; K1535-Q1539 PolarHBondContact O-N 2.73Å; I1536-Q1539 CarbonylContact O-C 3.5Å; I1536-Q1539 PolarHBondContact O-N 2.85Å; I1536-Q1539 VanDerWaalsContact O-N 3.12Å; Q1537-Q1539 VanDerWaalsContact C-N 3.31Å; Q1537-Q1539 PolarHBondContact O-N 2.82Å |
| 1540 | G | 81 | Confident | 74.9 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 24 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1517 G1518 I1536 Q1537 K1538 | K1517-G1540 CarbonylContact C-O 3.57Å; K1517-G1540 WeakPolarHBondContact CA-O 3.14Å; G1518-G1540 PolarHBondContact N-O 2.77Å; I1536-G1540 PolarHBondContact O-N 2.97Å; Q1537-G1540 PolarHBondContact O-N 3.05Å; Q1537-G1540 VanDerWaalsContact O-N 3.13Å; K1538-G1540 VanDerWaalsContact C-N 3.33Å |
| 1541 | G | 77.4 | Confident | 74.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | trans | -90.8 | 152.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1516 K1519 I1536 | I1516-G1541 WeakPolarHBondContact O-CA 3.46Å; K1519-G1541 WeakPolarHBondContact O-CA 3.49Å; I1536-G1541 WeakPolarHBondContact CG2-O 3.32Å; I1536-G1541 PolarHBondContact O-N 2.91Å; I1536-G1541 VanDerWaalsContact O-N 3.1Å | ||
| 1542 | D | 76 | Confident | 74.1 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 164.9 | 171.2 | -57.2 | -40.5 | 0 | 0 | 0 | 109.1 | K1519 I1520 I1521 D1594 V1595 | K1519-D1542 PolarHBondContact O-N 2.87Å; I1520-D1542 WeakPolarHBondContact CA-O 3.27Å; I1520-D1542 HydrophobicContact CG1-CB 4.11Å; I1521-D1542 PolarHBondContact N-O 3.45Å; D1542-D1594 WeakPolarHBondContact OD1-CB 3.43Å; D1542-V1595 HydrophobicContact CB-CG2 4.25Å |
| 1543 | Y | 74.9 | Confident | 73.6 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 154 | -175.7 | 60 | -104.3 | 0 | 0 | 0 | 116.5 | I1521 I1536 Q1537 F1545 F1558 F1562 C1593 | I1521-Y1543 VanDerWaalsContact O-CA 3.26Å; I1521-Y1543 WeakPolarHBondContact O-CA 3.4Å; I1536-Y1543 HydrophobicContact CG2-CD1 4.13Å; Q1537-Y1543 HydrophobicContact CB-CE1 4.26Å; Y1543-F1545 HydrophobicContact CD1-CE2 4.34Å; Y1543-F1545 AromaticContact CD2-CD2 3.29Å; Y1543-F1545 HydrophobicContact CD2-CD2 3.29Å; Y1543-F1545 AromaticContact CD2-CE2 3.27Å; Y1543-F1545 HydrophobicContact CD2-CE2 3.27Å; Y1543-F1545 AromaticContact CE2-CD2 3.78Å; Y1543-F1545 HydrophobicContact CE2-CD2 3.78Å; Y1543-F1545 AromaticContact CE2-CE2 3.8Å; Y1543-F1545 HydrophobicContact CE2-CE2 3.8Å; Y1543-F1545 HydrophobicContact CG-CD2 4.03Å; Y1543-F1545 AromaticContact CG-CE2 3.56Å; Y1543-F1545 HydrophobicContact CG-CE2 3.56Å; Y1543-F1558 HydrophobicContact CE2-CE1 4.43Å; Y1543-F1562 WeakPolarHBondContact OH-CD1 3.43Å; Y1543-F1562 WeakPolarHBondContact OH-CG 3.4Å; Y1543-C1593 HydrophobicContact CD2-CB 3.78Å; Y1543-C1593 HydrophobicContact CE1-CB 4.04Å; Y1543-C1593 HydrophobicContact CE2-CB 3.21Å; Y1543-C1593 HydrophobicContact CG-CB 4.43Å; Y1543-C1593 PolarHBondContact N-O 3.24Å; Y1543-C1593 PolarHBondContact O-N 3.44Å; Y1543-C1593 VanDerWaalsContact O-N 3.09Å |
| 1544 | L | 71.4 | Confident | 73.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 110.7 | 175.1 | -168 | 118.4 | 0 | 0 | 0 | 110.1 | I1521 T1522 V1592 T1603 F1604 | I1521-L1544 PolarHBondContact O-N 3.48Å; T1522-L1544 VanDerWaalsContact CA-O 3.31Å; T1522-L1544 WeakPolarHBondContact CA-O 3.19Å; T1522-L1544 HydrophobicContact CG2-CB 3.94Å; T1522-L1544 HydrophobicContact CG2-CD2 4.4Å; L1544-V1592 HydrophobicContact CD1-CB 4.47Å; L1544-V1592 HydrophobicContact CD1-CG1 4.3Å; L1544-V1592 HydrophobicContact CD1-CG2 3.82Å; L1544-T1603 HydrophobicContact CD1-CG2 4.19Å; L1544-T1603 WeakPolarHBondContact CD1-OG1 3.38Å; L1544-T1603 HydrophobicContact CD2-CG2 4.13Å; L1544-F1604 HydrophobicContact CD1-CE2 4.17Å; L1544-F1604 HydrophobicContact CD1-CZ 3.88Å; L1544-F1604 HydrophobicContact CD2-CE1 4.46Å; L1544-F1604 HydrophobicContact CD2-CZ 4.34Å; L1544-F1604 HydrophobicContact CG-CZ 4.47Å |
| 1545 | F | 72.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.2 | 179.6 | -73.1 | -80.7 | 0 | 0 | 0 | 111.2 | T1523 Q1529 I1532 A1533 I1536 Y1543 V1547 F1558 H1590 I1591 | T1523-F1545 HydrophobicContact CG2-CD1 3.41Å; T1523-F1545 VanDerWaalsContact CG2-CD1 3.41Å; T1523-F1545 HydrophobicContact CG2-CE1 3.16Å; T1523-F1545 HydrophobicContact CG2-CZ 4.18Å; Q1529-F1545 HydrophobicContact CB-CD1 4.12Å; Q1529-F1545 HydrophobicContact CB-CE1 4.1Å; Q1529-F1545 HydrophobicContact CG-CD1 3.66Å; Q1529-F1545 HydrophobicContact CG-CE1 3.87Å; I1532-F1545 HydrophobicContact CG2-CE1 4.19Å; I1532-F1545 HydrophobicContact CG2-CZ 4.2Å; A1533-F1545 HydrophobicContact CB-CD2 4.35Å; A1533-F1545 HydrophobicContact CB-CE2 3.35Å; A1533-F1545 HydrophobicContact CB-CZ 3.5Å; A1533-F1545 VanDerWaalsContact CB-CZ 3.5Å; I1536-F1545 HydrophobicContact CD1-CZ 3.95Å; Y1543-F1545 HydrophobicContact CD1-CE2 4.34Å; Y1543-F1545 AromaticContact CD2-CD2 3.29Å; Y1543-F1545 HydrophobicContact CD2-CD2 3.29Å; Y1543-F1545 AromaticContact CD2-CE2 3.27Å; Y1543-F1545 HydrophobicContact CD2-CE2 3.27Å; Y1543-F1545 AromaticContact CE2-CD2 3.78Å; Y1543-F1545 HydrophobicContact CE2-CD2 3.78Å; Y1543-F1545 AromaticContact CE2-CE2 3.8Å; Y1543-F1545 HydrophobicContact CE2-CE2 3.8Å; Y1543-F1545 HydrophobicContact CG-CD2 4.03Å; Y1543-F1545 AromaticContact CG-CE2 3.56Å; Y1543-F1545 HydrophobicContact CG-CE2 3.56Å; F1545-V1547 HydrophobicContact CB-CG2 4.39Å; F1545-F1558 HydrophobicContact CB-CZ 4.45Å; F1545-F1558 HydrophobicContact CD2-CE1 4.1Å; F1545-F1558 HydrophobicContact CD2-CE2 4.42Å; F1545-F1558 AromaticContact CD2-CZ 3.48Å; F1545-F1558 HydrophobicContact CD2-CZ 3.48Å; F1545-F1558 VanDerWaalsContact CD2-CZ 3.48Å; F1545-F1558 AromaticContact CE2-CZ 3.83Å; F1545-F1558 HydrophobicContact CE2-CZ 3.83Å; F1545-F1558 AromaticContact CG-CZ 3.97Å; F1545-F1558 HydrophobicContact CG-CZ 3.97Å; F1545-H1590 WeakPolarHBondContact O-CA 3.27Å; F1545-I1591 PolarHBondContact N-O 2.84Å; F1545-I1591 PolarHBondContact O-N 3.06Å |
| 1546 | A | 66.9 | Low | 71.7 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A1525 Q1529 H1590 | A1525-A1546 WeakPolarHBondContact CB-O 3.08Å; A1525-A1546 PolarHBondContact N-O 3.07Å; Q1529-A1546 PolarHBondContact NE2-O 2.94Å; A1546-H1590 WeakPolarHBondContact CB-NE2 3.45Å |
| 1547 | V | 65 | Low | 71.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.3 | 179 | -158.5 | 0 | 0 | 0 | 0 | 109.5 | F1545 G1549 L1554 N1555 L1589 I1591 | F1545-V1547 HydrophobicContact CB-CG2 4.39Å; V1547-G1549 PolarHBondContact O-N 3.06Å; V1547-L1554 HydrophobicContact CG1-CD2 4.03Å; V1547-N1555 WeakPolarHBondContact CB-OD1 3.33Å; V1547-N1555 WeakPolarHBondContact CG1-OD1 3.23Å; V1547-L1589 PolarHBondContact N-O 2.96Å; V1547-L1589 PolarHBondContact O-N 3.08Å; V1547-I1591 HydrophobicContact CG2-CD1 4.03Å; V1547-I1591 HydrophobicContact CG2-CG1 4.45Å |
| 1548 | K | 65.3 | Low | 70.5 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.6 | -179.4 | -68.8 | 176.3 | -173.9 | -155.1 | 0 | 110.4 | A1525 N1550 Q1551 E1586 R1588 | A1525-K1548 HydrophobicContact CB-CB 4.37Å; A1525-K1548 HydrophobicContact CB-CD 4.25Å; A1525-K1548 HydrophobicContact CB-CG 3.79Å; K1548-N1550 WeakPolarHBondContact CB-OD1 3.43Å; K1548-N1550 PolarHBondContact O-N 3.29Å; K1548-Q1551 HydrophobicContact CB-CG 4.39Å; K1548-Q1551 WeakPolarHBondContact O-CB 3.46Å; K1548-Q1551 PolarHBondContact O-N 3.44Å; K1548-E1586 WeakPolarHBondContact CE-OE2 3.46Å; K1548-E1586 IonicContact NZ-OE1 3.95Å; K1548-E1586 PolarHBondContact NZ-OE1 3.17Å; K1548-E1586 IonicContact NZ-OE2 3.78Å; K1548-E1586 PolarHBondContact NZ-OE2 2.73Å; K1548-R1588 HydrophobicContact CG-CG 4.48Å |
| 1549 | G | 63.7 | Low | 69.7 | Low | 35 Ų | 35 | 48.7 Ų | 48.7 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1547 Q1551 I1587 | V1547-G1549 PolarHBondContact O-N 3.06Å; G1549-Q1551 VanDerWaalsContact C-N 3.3Å; G1549-I1587 PolarHBondContact N-O 3.23Å |
| 1550 | N | 64.4 | Low | 69.1 | Low | 118 Ų | 118 | 52.7 Ų | 52.7 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.2 | 171 | 63.2 | 12.3 | 0 | 0 | 0 | 113.8 | K1548 G1552 | K1548-N1550 WeakPolarHBondContact CB-OD1 3.43Å; K1548-N1550 PolarHBondContact O-N 3.29Å; N1550-G1552 PolarHBondContact O-N 3.43Å |
| 1551 | Q | 63.9 | Low | 68.5 | Low | 66 Ų | 66 | 54.8 Ų | 54.8 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | trans | -95.4 | 58.9 | 178.8 | -60.3 | -158.8 | 18.8 | 0 | 0 | 112.9 | K1548 G1549 R1553 L1554 N1555 | K1548-Q1551 HydrophobicContact CB-CG 4.39Å; K1548-Q1551 WeakPolarHBondContact O-CB 3.46Å; K1548-Q1551 PolarHBondContact O-N 3.44Å; G1549-Q1551 VanDerWaalsContact C-N 3.3Å; Q1551-R1553 PolarHBondContact O-N 2.88Å; Q1551-L1554 HydrophobicContact CB-CB 3.92Å; Q1551-L1554 WeakPolarHBondContact O-CA 3.39Å; Q1551-L1554 PolarHBondContact O-N 2.82Å; Q1551-N1555 PolarHBondContact O-N 2.84Å; Q1551-N1555 VanDerWaalsContact O-N 3.11Å | ||
| 1552 | G | 65.6 | Low | 68 | Low | 50 Ų | 50 | 55.3 Ų | 55.3 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.5 | -27 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1550 K1556 | N1550-G1552 PolarHBondContact O-N 3.43Å; G1552-K1556 PolarHBondContact O-N 2.94Å |
| 1553 | R | 68.7 | Low | 67.3 | Low | 236 Ų | 236 | 58.3 Ų | 58.3 | 89% | 0.891 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73.6 | -33.5 | 171.2 | -88.5 | -173.3 | 177.6 | 170 | 0.7 | 113.4 | Q1551 A1557 | Q1551-R1553 PolarHBondContact O-N 2.88Å; R1553-A1557 WeakPolarHBondContact O-CB 3.46Å; R1553-A1557 PolarHBondContact O-N 3.48Å |
| 1554 | L | 65.1 | Low | 66.4 | Low | 28 Ų | 28 | 62.9 Ų | 62.9 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.6 | -46.7 | 180 | -165.2 | 72.5 | 0 | 0 | 0 | 110.3 | V1547 Q1551 K1556 A1557 F1558 | V1547-L1554 HydrophobicContact CG1-CD2 4.03Å; Q1551-L1554 HydrophobicContact CB-CB 3.92Å; Q1551-L1554 WeakPolarHBondContact O-CA 3.39Å; Q1551-L1554 PolarHBondContact O-N 2.82Å; L1554-K1556 PolarHBondContact O-N 3.48Å; L1554-A1557 PolarHBondContact O-N 3.38Å; L1554-A1557 VanDerWaalsContact O-N 3.16Å; L1554-F1558 PolarHBondContact O-N 2.99Å |
| 1555 | N | 65.3 | Low | 65.5 | Low | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.112 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -49 | -56 | 173.8 | -85 | 9.3 | 0 | 0 | 0 | 111.2 | V1547 Q1551 A1557 F1558 E1559 | V1547-N1555 WeakPolarHBondContact CB-OD1 3.33Å; V1547-N1555 WeakPolarHBondContact CG1-OD1 3.23Å; Q1551-N1555 PolarHBondContact O-N 2.84Å; Q1551-N1555 VanDerWaalsContact O-N 3.11Å; N1555-A1557 VanDerWaalsContact C-N 3.31Å; N1555-A1557 PolarHBondContact O-N 3.34Å; N1555-F1558 WeakPolarHBondContact O-CA 3.36Å; N1555-F1558 WeakPolarHBondContact O-CB 3.47Å; N1555-F1558 PolarHBondContact O-N 3.26Å; N1555-E1559 WeakPolarHBondContact O-CG 3.45Å; N1555-E1559 PolarHBondContact O-N 3.36Å |
| 1556 | K | 69.7 | Low | 64.4 | Low | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.548 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | -177 | -163.1 | 176.5 | -176.6 | -178.3 | 0 | 113.3 | G1552 L1554 F1558 E1560 | G1552-K1556 PolarHBondContact O-N 2.94Å; L1554-K1556 PolarHBondContact O-N 3.48Å; K1556-F1558 VanDerWaalsContact C-N 3.27Å; K1556-F1558 PolarHBondContact O-N 2.99Å; K1556-E1560 WeakPolarHBondContact O-CB 3.26Å; K1556-E1560 WeakPolarHBondContact O-CG 3.41Å; K1556-E1560 PolarHBondContact O-N 2.78Å |
| 1557 | A | 69.2 | Low | 63.6 | Low | 34 Ų | 34 | 79.9 Ų | 79.9 | 28% | 0.281 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -74 | -17.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1553 L1554 N1555 | R1553-A1557 WeakPolarHBondContact O-CB 3.46Å; R1553-A1557 PolarHBondContact O-N 3.48Å; L1554-A1557 PolarHBondContact O-N 3.38Å; L1554-A1557 VanDerWaalsContact O-N 3.16Å; N1555-A1557 VanDerWaalsContact C-N 3.31Å; N1555-A1557 PolarHBondContact O-N 3.34Å |
| 1558 | F | 67.1 | Low | 63 | Low | 2 Ų | 2 | 87 Ų | 87 | 1% | 0.009 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -84.5 | -50.4 | 173.1 | -145.4 | -93.5 | 0 | 0 | 0 | 110.2 | Q1529 A1533 Y1543 F1545 L1554 N1555 K1556 E1560 K1561 F1562 I1591 | Q1529-F1558 HydrophobicContact CB-CE2 4Å; A1533-F1558 HydrophobicContact CB-CE2 3.99Å; A1533-F1558 HydrophobicContact CB-CZ 3.73Å; Y1543-F1558 HydrophobicContact CE2-CE1 4.43Å; F1545-F1558 HydrophobicContact CB-CZ 4.45Å; F1545-F1558 HydrophobicContact CD2-CE1 4.1Å; F1545-F1558 HydrophobicContact CD2-CE2 4.42Å; F1545-F1558 AromaticContact CD2-CZ 3.48Å; F1545-F1558 HydrophobicContact CD2-CZ 3.48Å; F1545-F1558 VanDerWaalsContact CD2-CZ 3.48Å; F1545-F1558 AromaticContact CE2-CZ 3.83Å; F1545-F1558 HydrophobicContact CE2-CZ 3.83Å; F1545-F1558 AromaticContact CG-CZ 3.97Å; F1545-F1558 HydrophobicContact CG-CZ 3.97Å; L1554-F1558 PolarHBondContact O-N 2.99Å; N1555-F1558 WeakPolarHBondContact O-CA 3.36Å; N1555-F1558 WeakPolarHBondContact O-CB 3.47Å; N1555-F1558 PolarHBondContact O-N 3.26Å; K1556-F1558 VanDerWaalsContact C-N 3.27Å; K1556-F1558 PolarHBondContact O-N 2.99Å; F1558-E1560 VanDerWaalsContact C-N 3.34Å; F1558-E1560 PolarHBondContact O-N 2.86Å; F1558-K1561 PolarHBondContact O-N 3.16Å; F1558-K1561 VanDerWaalsContact O-N 3.1Å; F1558-F1562 AromaticContact CD1-CD2 3.95Å; F1558-F1562 HydrophobicContact CD1-CD2 3.95Å; F1558-F1562 HydrophobicContact CD2-CD2 4.33Å; F1558-F1562 HydrophobicContact CD2-CE2 4.48Å; F1558-F1562 HydrophobicContact CE1-CB 4.49Å; F1558-F1562 AromaticContact CE1-CD2 3.78Å; F1558-F1562 HydrophobicContact CE1-CD2 3.78Å; F1558-F1562 HydrophobicContact CE1-CE2 4.42Å; F1558-F1562 HydrophobicContact CE1-CG 4.41Å; F1558-F1562 HydrophobicContact CE2-CD2 4.17Å; F1558-F1562 HydrophobicContact CE2-CE2 4.09Å; F1558-F1562 HydrophobicContact CG-CD2 4.22Å; F1558-F1562 AromaticContact CZ-CD2 3.89Å; F1558-F1562 HydrophobicContact CZ-CD2 3.89Å; F1558-F1562 HydrophobicContact CZ-CE2 4.05Å; F1558-F1562 PolarHBondContact O-N 3.49Å; F1558-I1591 HydrophobicContact CD1-CD1 3.88Å; F1558-I1591 HydrophobicContact CD1-CG2 4.45Å; F1558-I1591 HydrophobicContact CE1-CG2 4.33Å |
| 1559 | E | 66.1 | Low | 62.2 | Low | 111 Ų | 111 | 87.7 Ų | 87.7 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -53.9 | -44.4 | 174.3 | -71.3 | 173 | 166.6 | 0 | 0 | 112.8 | N1555 K1561 | N1555-E1559 WeakPolarHBondContact O-CG 3.45Å; N1555-E1559 PolarHBondContact O-N 3.36Å; E1559-K1561 PolarHBondContact O-N 3.07Å |
| 1560 | E | 72.1 | Confident | 61.4 | Low | 148 Ų | 148 | 90.9 Ų | 90.9 | 69% | 0.692 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19 | -179.7 | -80.7 | 178.6 | -174.1 | 0 | 0 | 114.1 | K1556 F1558 | K1556-E1560 WeakPolarHBondContact O-CB 3.26Å; K1556-E1560 WeakPolarHBondContact O-CG 3.41Å; K1556-E1560 PolarHBondContact O-N 2.78Å; F1558-E1560 VanDerWaalsContact C-N 3.34Å; F1558-E1560 PolarHBondContact O-N 2.86Å |
| 1561 | K | 69.3 | Low | 60.5 | Low | 80 Ų | 80 | 91.6 Ų | 91.6 | 35% | 0.348 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -28.9 | -175.5 | -165.6 | 170.3 | 179.2 | -178.8 | 0 | 113.8 | K1530 E1534 F1558 E1559 P1563 | K1530-K1561 HydrophobicContact CD-CD 4.46Å; K1530-K1561 HydrophobicContact CG-CD 4.3Å; E1534-K1561 IonicContact OE1-NZ 3.24Å; E1534-K1561 PolarHBondContact OE1-NZ 3.29Å; E1534-K1561 IonicContact OE2-NZ 2.89Å; E1534-K1561 PolarHBondContact OE2-NZ 2.87Å; F1558-K1561 PolarHBondContact O-N 3.16Å; F1558-K1561 VanDerWaalsContact O-N 3.1Å; E1559-K1561 PolarHBondContact O-N 3.07Å; K1561-P1563 WeakPolarHBondContact O-CD 3.49Å |
| 1562 | F | 66.8 | Low | 59.9 | Low | 15 Ų | 15 | 89.5 Ų | 89.5 | 7% | 0.066 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -120.7 | 81.2 | 177.4 | -57.1 | -72.2 | 0 | 0 | 0 | 108.7 | A1533 E1534 Y1543 F1558 L1564 | A1533-F1562 HydrophobicContact CB-CE1 4.48Å; A1533-F1562 HydrophobicContact CB-CE2 3.75Å; A1533-F1562 HydrophobicContact CB-CZ 3.66Å; E1534-F1562 HydrophobicContact CB-CZ 4.23Å; Y1543-F1562 WeakPolarHBondContact OH-CD1 3.43Å; Y1543-F1562 WeakPolarHBondContact OH-CG 3.4Å; F1558-F1562 AromaticContact CD1-CD2 3.95Å; F1558-F1562 HydrophobicContact CD1-CD2 3.95Å; F1558-F1562 HydrophobicContact CD2-CD2 4.33Å; F1558-F1562 HydrophobicContact CD2-CE2 4.48Å; F1558-F1562 HydrophobicContact CE1-CB 4.49Å; F1558-F1562 AromaticContact CE1-CD2 3.78Å; F1558-F1562 HydrophobicContact CE1-CD2 3.78Å; F1558-F1562 HydrophobicContact CE1-CE2 4.42Å; F1558-F1562 HydrophobicContact CE1-CG 4.41Å; F1558-F1562 HydrophobicContact CE2-CD2 4.17Å; F1558-F1562 HydrophobicContact CE2-CE2 4.09Å; F1558-F1562 HydrophobicContact CG-CD2 4.22Å; F1558-F1562 AromaticContact CZ-CD2 3.89Å; F1558-F1562 HydrophobicContact CZ-CD2 3.89Å; F1558-F1562 HydrophobicContact CZ-CE2 4.05Å; F1558-F1562 PolarHBondContact O-N 3.49Å; F1562-L1564 PolarHBondContact O-N 3.35Å |
| 1563 | P | 60 | Low | 59.3 | Low | 102 Ų | 102 | 89.6 Ų | 89.6 | 66% | 0.662 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 126 | 178.9 | 25.6 | -33.6 | 0 | 0 | 0 | 109.8 | K1561 K1565 | K1561-P1563 WeakPolarHBondContact O-CD 3.49Å; P1563-K1565 PolarHBondContact O-N 3.39Å |
| 1564 | L | 55.9 | Low | 58.6 | Low | 99 Ų | 99 | 81.9 Ų | 81.9 | 52% | 0.518 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 127 | 175 | -69.5 | 159.2 | 0 | 0 | 0 | 109.6 | F1562 I1591 | F1562-L1564 PolarHBondContact O-N 3.35Å; L1564-I1591 HydrophobicContact CD2-CG2 4.11Å |
| 1565 | K | 53.4 | Low | 58.3 | Low | 131 Ų | 131 | 83.9 Ų | 83.9 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 136.8 | 161.9 | -83.5 | 177 | 175.3 | 170 | 0 | 107.5 | P1563 L1567 D1594 | P1563-K1565 PolarHBondContact O-N 3.39Å; K1565-L1567 PolarHBondContact O-N 2.79Å; K1565-D1594 IonicContact NZ-OD1 3.93Å; K1565-D1594 PolarHBondContact NZ-OD1 2.96Å |
| 1566 | E | 49.3 | Very low | 58.2 | Low | 193 Ų | 193 | 86.4 Ų | 86.4 | 90% | 0.902 | 45% | 0.452 | S | S | * | . | trans | -58.4 | 110 | 162.6 | -69.5 | 177.1 | 140.2 | 0 | 0 | 108 | ||||
| 1567 | L | 49 | Very low | 57.8 | Low | 41 Ų | 41 | 83.4 Ų | 83.4 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | trans | -78.6 | 157.5 | 165.4 | -69.4 | 165 | 0 | 0 | 0 | 108 | K1565 N1569 H1572 D1573 I1600 | K1565-L1567 PolarHBondContact O-N 2.79Å; L1567-N1569 PolarHBondContact O-N 3.5Å; L1567-H1572 HydrophobicContact CD1-CB 4.44Å; L1567-D1573 PolarHBondContact N-OD1 2.94Å; L1567-I1600 HydrophobicContact CD1-CD1 3.66Å; L1567-I1600 HydrophobicContact CD2-CD1 4.36Å | ||
| 1568 | N | 52.4 | Low | 57.6 | Low | 150 Ų | 150 | 84.6 Ų | 84.6 | 80% | 0.802 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -68.2 | -4.8 | -172.3 | -72.3 | -60.7 | 0 | 0 | 0 | 114.3 | ||
| 1569 | N | 49.1 | Very low | 57.1 | Low | 56 Ų | 56 | 86 Ų | 86 | 30% | 0.299 | 45% | 0.454 | S | S | . | . | trans | -134.8 | 110.5 | -177.7 | -175 | 18.2 | 0 | 0 | 0 | 109.8 | L1567 E1571 H1572 | L1567-N1569 PolarHBondContact O-N 3.5Å; N1569-E1571 PolarHBondContact O-N 3.17Å; N1569-E1571 VanDerWaalsContact O-N 3.1Å; N1569-H1572 PolarHBondContact ND2-CD2 3.33Å; N1569-H1572 PolarHBondContact ND2-NE2 2.7Å; N1569-H1572 VanDerWaalsContact ND2-NE2 3.12Å; N1569-H1572 WeakPolarHBondContact O-CB 3.48Å; N1569-H1572 PolarHBondContact O-N 3.38Å | ||
| 1570 | P | 46.9 | Very low | 56.6 | Low | 101 Ų | 101 | 88 Ų | 88 | 66% | 0.656 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -9.5 | -174.4 | 28.5 | -36 | 0 | 0 | 0 | 114.1 | H1572 D1573 | P1570-H1572 VanDerWaalsContact C-N 3.28Å; P1570-D1573 WeakPolarHBondContact CA-OD2 3.17Å |
| 1571 | E | 46.4 | Very low | 55.5 | Low | 134 Ų | 134 | 83.3 Ų | 83.3 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.3 | 166.7 | -66.9 | -172 | 149.7 | 0 | 0 | 111.5 | N1569 Y1575 | N1569-E1571 PolarHBondContact O-N 3.17Å; N1569-E1571 VanDerWaalsContact O-N 3.1Å; E1571-Y1575 WeakPolarHBondContact O-CE1 3.45Å; E1571-Y1575 WeakPolarHBondContact O-CE2 3.34Å; E1571-Y1575 PolarHBondContact O-OH 2.84Å |
| 1572 | H | 51.5 | Low | 54.6 | Low | 21 Ų | 21 | 86.8 Ų | 86.8 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.5 | -179.1 | -58.8 | -36.4 | 0 | 0 | 0 | 114.6 | L1567 N1569 P1570 S1574 Y1575 I1600 D1601 | L1567-H1572 HydrophobicContact CD1-CB 4.44Å; N1569-H1572 PolarHBondContact ND2-CD2 3.33Å; N1569-H1572 PolarHBondContact ND2-NE2 2.7Å; N1569-H1572 VanDerWaalsContact ND2-NE2 3.12Å; N1569-H1572 WeakPolarHBondContact O-CB 3.48Å; N1569-H1572 PolarHBondContact O-N 3.38Å; P1570-H1572 VanDerWaalsContact C-N 3.28Å; H1572-S1574 VanDerWaalsContact C-N 3.3Å; H1572-S1574 PolarHBondContact O-N 2.71Å; H1572-Y1575 HydrophobicContact CB-CE2 4.43Å; H1572-Y1575 AromaticContact ND1-CE2 3.78Å; H1572-Y1575 AromaticContact ND1-CZ 3.77Å; H1572-Y1575 PolarHBondContact ND1-OH 3.43Å; H1572-I1600 HydrophobicContact CB-CD1 4.48Å; H1572-I1600 HydrophobicContact CB-CG2 4.22Å; H1572-D1601 IonicContact CE1-OD1 3.54Å; H1572-D1601 PolarHBondContact CE1-OD1 3.12Å |
| 1573 | D | 51.6 | Low | 53.7 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 28% | 0.283 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.8 | -174.7 | -74.1 | -25.2 | 0 | 0 | 0 | 113.1 | L1567 P1570 | L1567-D1573 PolarHBondContact N-OD1 2.94Å; P1570-D1573 WeakPolarHBondContact CA-OD2 3.17Å |
| 1574 | S | 54.9 | Low | 53.3 | Low | 73 Ų | 73 | 93.4 Ų | 93.4 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | trans | -163.4 | 119.1 | 171.7 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | H1572 | H1572-S1574 VanDerWaalsContact C-N 3.3Å; H1572-S1574 PolarHBondContact O-N 2.71Å | ||
| 1575 | Y | 58.1 | Low | 53.5 | Low | 71 Ų | 71 | 94.8 Ų | 94.8 | 28% | 0.278 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.4 | 170.3 | -68.4 | -70.5 | 0 | 0 | 0 | 112.3 | E1571 H1572 R1588 H1590 F1604 | E1571-Y1575 WeakPolarHBondContact O-CE1 3.45Å; E1571-Y1575 WeakPolarHBondContact O-CE2 3.34Å; E1571-Y1575 PolarHBondContact O-OH 2.84Å; H1572-Y1575 HydrophobicContact CB-CE2 4.43Å; H1572-Y1575 AromaticContact ND1-CE2 3.78Å; H1572-Y1575 AromaticContact ND1-CZ 3.77Å; H1572-Y1575 PolarHBondContact ND1-OH 3.43Å; Y1575-R1588 VanDerWaalsContact O-O 3.12Å; Y1575-H1590 PolarHBondContact O-N 2.82Å; Y1575-H1590 PolarHBondContact O-ND1 2.73Å; Y1575-F1604 AromaticContact CD2-CD2 3.84Å; Y1575-F1604 HydrophobicContact CD2-CD2 3.84Å; Y1575-F1604 AromaticContact CD2-CE2 3.85Å; Y1575-F1604 HydrophobicContact CD2-CE2 3.85Å; Y1575-F1604 HydrophobicContact CD2-CG 4.29Å; Y1575-F1604 HydrophobicContact CD2-CZ 4.31Å; Y1575-F1604 HydrophobicContact CE2-CD2 4.06Å; Y1575-F1604 HydrophobicContact CE2-CE2 4.3Å |
| 1576 | A | 62.6 | Low | 54 | Low | 74 Ų | 74 | 90 Ų | 90 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 105.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1587 R1588 | A1576-I1587 HydrophobicContact CB-CG2 4.09Å; A1576-R1588 WeakPolarHBondContact CA-O 3.28Å |
| 1577 | I | 62.9 | Low | 54.8 | Low | 63 Ų | 63 | 85.7 Ų | 85.7 | 32% | 0.323 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.5 | 178.3 | -52.4 | -176.8 | 0 | 0 | 0 | 109.2 | I1587 R1588 H1590 F1604 | I1577-I1587 CarbonylContact O-C 3.6Å; I1577-I1587 WeakPolarHBondContact O-CA 3.12Å; I1577-R1588 PolarHBondContact N-O 2.87Å; I1577-R1588 PolarHBondContact O-N 2.78Å; I1577-H1590 VanDerWaalsContact CD1-CE1 3.47Å; I1577-H1590 WeakPolarHBondContact CD1-CE1 3.31Å; I1577-F1604 HydrophobicContact CD1-CD1 4.24Å |
| 1578 | S | 64 | Low | 55.6 | Low | 58 Ų | 58 | 83.9 Ų | 83.9 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 100.7 | 169.5 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | E1585 | S1578-E1585 WeakPolarHBondContact OG-CG 3.47Å; S1578-E1585 PolarHBondContact OG-OE1 3.26Å; S1578-E1585 VanDerWaalsContact OG-OE1 3.09Å |
| 1579 | E | 56.8 | Low | 56.2 | Low | 33 Ų | 33 | 79.1 Ų | 79.1 | 15% | 0.154 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.7 | 166.7 | -82.4 | -168.6 | 170 | 0 | 0 | 109.5 | S1581 E1585 E1586 R1588 | E1579-S1581 VanDerWaalsContact C-N 3.33Å; E1579-S1581 PolarHBondContact OE2-OG 2.71Å; E1579-E1585 WeakPolarHBondContact O-CA 3.46Å; E1579-E1586 PolarHBondContact N-O 2.9Å; E1579-E1586 PolarHBondContact O-N 2.91Å; E1579-R1588 IonicContact OE1-CZ 3.52Å; E1579-R1588 IonicContact OE1-NE 3.3Å; E1579-R1588 IonicContact OE1-NH1 2.74Å; E1579-R1588 IonicContact OE2-CZ 3.46Å; E1579-R1588 IonicContact OE2-NE 2.72Å; E1579-R1588 PolarHBondContact OE2-NE 2.85Å; E1579-R1588 IonicContact OE2-NH2 2.85Å; E1579-R1588 PolarHBondContact OE2-NH2 3.21Å; E1579-R1588 VanDerWaalsContact OE2-NH2 3.17Å |
| 1580 | K | 56.2 | Low | 56.9 | Low | 152 Ų | 152 | 76.6 Ų | 76.6 | 66% | 0.661 | 41% | 0.413 | S | S | * | . | trans | -96.3 | 14.8 | 168.7 | -66.3 | -172 | 174.2 | -172 | 0 | 113 | E1585 | K1580-E1585 WeakPolarHBondContact CE-OE1 3.41Å; K1580-E1585 HydrophobicContact CG-CG 4.37Å; K1580-E1585 IonicContact NZ-OE1 3.18Å; K1580-E1585 PolarHBondContact NZ-OE1 2.89Å; K1580-E1585 VanDerWaalsContact NZ-OE1 3.12Å | ||
| 1581 | S | 48.2 | Very low | 57.6 | Low | 50 Ų | 50 | 72.8 Ų | 72.8 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -68.2 | 146.7 | 178.3 | 73.2 | 0 | 0 | 0 | 0 | 110.3 | E1579 G1583 R1584 | E1579-S1581 VanDerWaalsContact C-N 3.33Å; E1579-S1581 PolarHBondContact OE2-OG 2.71Å; S1581-G1583 PolarHBondContact O-N 2.7Å; S1581-R1584 PolarHBondContact O-N 2.83Å |
| 1582 | H | 49.9 | Very low | 58.4 | Low | 153 Ų | 153 | 67.1 Ų | 67.1 | 71% | 0.708 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | 57.8 | 17.9 | 179.8 | -47.5 | -68.6 | 0 | 0 | 0 | 116.3 | K1463 R1584 | K1463-H1582 PolarHBondContact NZ-NE2 3.18Å; K1463-H1582 VanDerWaalsContact NZ-NE2 3.13Å; H1582-R1584 VanDerWaalsContact C-N 3.3Å; H1582-R1584 PolarHBondContact O-N 3.49Å |
| 1583 | G | 47.9 | Very low | 59.1 | Low | 75 Ų | 75 | 67 Ų | 67 | 77% | 0.773 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | 73.7 | 15.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1581 | S1581-G1583 PolarHBondContact O-N 2.7Š|
| 1584 | R | 51.7 | Low | 59.7 | Low | 180 Ų | 180 | 68.1 Ų | 68.1 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | trans | -117.2 | 130.4 | 169.8 | -65.1 | -179.7 | 179.9 | 172.4 | 0.7 | 107.9 | S1581 H1582 E1586 | S1581-R1584 PolarHBondContact O-N 2.83Å; H1582-R1584 VanDerWaalsContact C-N 3.3Å; H1582-R1584 PolarHBondContact O-N 3.49Å; R1584-E1586 HydrophobicContact CB-CG 4.21Å; R1584-E1586 PolarHBondContact O-N 3.29Å; R1584-E1586 VanDerWaalsContact O-N 3.15Å | ||
| 1585 | E | 60.4 | Low | 60.1 | Low | 129 Ų | 129 | 64.9 Ų | 64.9 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | trans | -79.8 | 93 | 170.5 | -162.2 | 167.1 | -147 | 0 | 0 | 108 | S1578 E1579 K1580 | S1578-E1585 WeakPolarHBondContact OG-CG 3.47Å; S1578-E1585 PolarHBondContact OG-OE1 3.26Å; S1578-E1585 VanDerWaalsContact OG-OE1 3.09Å; E1579-E1585 WeakPolarHBondContact O-CA 3.46Å; K1580-E1585 WeakPolarHBondContact CE-OE1 3.41Å; K1580-E1585 HydrophobicContact CG-CG 4.37Å; K1580-E1585 IonicContact NZ-OE1 3.18Å; K1580-E1585 PolarHBondContact NZ-OE1 2.89Å; K1580-E1585 VanDerWaalsContact NZ-OE1 3.12Å | ||
| 1586 | E | 63.3 | Low | 60.5 | Low | 31 Ų | 31 | 63.5 Ų | 63.5 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.7 | 179.1 | -74.8 | -167.6 | 151.2 | 0 | 0 | 110.4 | K1548 E1579 R1584 R1588 | K1548-E1586 WeakPolarHBondContact CE-OE2 3.46Å; K1548-E1586 IonicContact NZ-OE1 3.95Å; K1548-E1586 PolarHBondContact NZ-OE1 3.17Å; K1548-E1586 IonicContact NZ-OE2 3.78Å; K1548-E1586 PolarHBondContact NZ-OE2 2.73Å; E1579-E1586 PolarHBondContact N-O 2.9Å; E1579-E1586 PolarHBondContact O-N 2.91Å; R1584-E1586 HydrophobicContact CB-CG 4.21Å; R1584-E1586 PolarHBondContact O-N 3.29Å; R1584-E1586 VanDerWaalsContact O-N 3.15Å; E1586-R1588 PolarHBondContact O-N 2.81Å; E1586-R1588 IonicContact OE2-NH2 2.82Å |
| 1587 | I | 67.9 | Low | 60.5 | Low | 102 Ų | 102 | 63 Ų | 63 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.3 | 166.5 | -59.2 | 177.2 | 0 | 0 | 0 | 108.3 | G1549 A1576 I1577 | G1549-I1587 PolarHBondContact N-O 3.23Å; A1576-I1587 HydrophobicContact CB-CG2 4.09Å; I1577-I1587 CarbonylContact O-C 3.6Å; I1577-I1587 WeakPolarHBondContact O-CA 3.12Å |
| 1588 | R | 64.6 | Low | 60.4 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.4 | 176.6 | -67.6 | 172 | 172.1 | -122 | -6.3 | 110.2 | D1524 K1548 Y1575 A1576 I1577 E1579 E1586 H1590 | D1524-R1588 IonicContact OD1-CZ 2.72Å; D1524-R1588 VanDerWaalsContact OD1-CZ 3.3Å; D1524-R1588 IonicContact OD1-NH1 3.85Å; D1524-R1588 PolarHBondContact OD1-NH1 2.88Å; D1524-R1588 IonicContact OD1-NH2 3.08Å; D1524-R1588 PolarHBondContact OD1-NH2 3.14Å; D1524-R1588 IonicContact OD2-CZ 2.82Å; D1524-R1588 IonicContact OD2-NH1 3.38Å; D1524-R1588 PolarHBondContact OD2-NH1 3.01Å; D1524-R1588 IonicContact OD2-NH2 2.83Å; D1524-R1588 PolarHBondContact OD2-NH2 3.05Å; K1548-R1588 HydrophobicContact CG-CG 4.48Å; Y1575-R1588 VanDerWaalsContact O-O 3.12Å; A1576-R1588 WeakPolarHBondContact CA-O 3.28Å; I1577-R1588 PolarHBondContact N-O 2.87Å; I1577-R1588 PolarHBondContact O-N 2.78Å; E1579-R1588 IonicContact OE1-CZ 3.52Å; E1579-R1588 IonicContact OE1-NE 3.3Å; E1579-R1588 IonicContact OE1-NH1 2.74Å; E1579-R1588 IonicContact OE2-CZ 3.46Å; E1579-R1588 IonicContact OE2-NE 2.72Å; E1579-R1588 PolarHBondContact OE2-NE 2.85Å; E1579-R1588 IonicContact OE2-NH2 2.85Å; E1579-R1588 PolarHBondContact OE2-NH2 3.21Å; E1579-R1588 VanDerWaalsContact OE2-NH2 3.17Å; E1586-R1588 PolarHBondContact O-N 2.81Å; E1586-R1588 IonicContact OE2-NH2 2.82Å; R1588-H1590 PolarHBondContact O-CE1 2.98Å; R1588-H1590 PolarHBondContact O-ND1 2.78Å |
| 1589 | L | 64.4 | Low | 60.3 | Low | 51 Ų | 51 | 64.9 Ų | 64.9 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.1 | 175.4 | -118.2 | 159.1 | 0 | 0 | 0 | 108.3 | V1547 | V1547-L1589 PolarHBondContact N-O 2.96Å; V1547-L1589 PolarHBondContact O-N 3.08Å |
| 1590 | H | 64.6 | Low | 60.5 | Low | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.2 | -178.1 | -60.4 | 80 | 0 | 0 | 0 | 110.6 | F1545 A1546 Y1575 I1577 R1588 F1604 | F1545-H1590 WeakPolarHBondContact O-CA 3.27Å; A1546-H1590 WeakPolarHBondContact CB-NE2 3.45Å; Y1575-H1590 PolarHBondContact O-N 2.82Å; Y1575-H1590 PolarHBondContact O-ND1 2.73Å; I1577-H1590 VanDerWaalsContact CD1-CE1 3.47Å; I1577-H1590 WeakPolarHBondContact CD1-CE1 3.31Å; R1588-H1590 PolarHBondContact O-CE1 2.98Å; R1588-H1590 PolarHBondContact O-ND1 2.78Å; H1590-F1604 HydrophobicContact CB-CE1 3.5Å; H1590-F1604 HydrophobicContact CB-CZ 3.55Å; H1590-F1604 AromaticContact CD2-CE1 3.75Å; H1590-F1604 AromaticContact CG-CE1 3.52Å |
| 1591 | I | 62.1 | Low | 60.5 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.8 | -177.5 | -58.6 | 177.3 | 0 | 0 | 0 | 108.5 | F1545 V1547 F1558 L1564 | F1545-I1591 PolarHBondContact N-O 2.84Å; F1545-I1591 PolarHBondContact O-N 3.06Å; V1547-I1591 HydrophobicContact CG2-CD1 4.03Å; V1547-I1591 HydrophobicContact CG2-CG1 4.45Å; F1558-I1591 HydrophobicContact CD1-CD1 3.88Å; F1558-I1591 HydrophobicContact CD1-CG2 4.45Å; F1558-I1591 HydrophobicContact CE1-CG2 4.33Å; L1564-I1591 HydrophobicContact CD2-CG2 4.11Å |
| 1592 | V | 63.6 | Low | 60.8 | Low | 14 Ų | 14 | 60.3 Ų | 60.3 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.9 | -178.1 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | L1544 V1595 I1600 F1604 | L1544-V1592 HydrophobicContact CD1-CB 4.47Å; L1544-V1592 HydrophobicContact CD1-CG1 4.3Å; L1544-V1592 HydrophobicContact CD1-CG2 3.82Å; V1592-V1595 HydrophobicContact CG1-CB 3.59Å; V1592-V1595 HydrophobicContact CG1-CG1 4.39Å; V1592-V1595 HydrophobicContact CG1-CG2 3.75Å; V1592-I1600 HydrophobicContact CG1-CD1 3.97Å; V1592-I1600 HydrophobicContact CG1-CG1 4.1Å; V1592-F1604 HydrophobicContact CG2-CE2 4.29Å; V1592-F1604 HydrophobicContact CG2-CZ 4.41Å |
| 1593 | C | 64.9 | Low | 61.1 | Low | 18 Ų | 18 | 53.5 Ų | 53.5 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 129 | 173.4 | -144.1 | 0 | 0 | 0 | 0 | 112.4 | Y1543 V1595 | Y1543-C1593 HydrophobicContact CD2-CB 3.78Å; Y1543-C1593 HydrophobicContact CE1-CB 4.04Å; Y1543-C1593 HydrophobicContact CE2-CB 3.21Å; Y1543-C1593 HydrophobicContact CG-CB 4.43Å; Y1543-C1593 PolarHBondContact N-O 3.24Å; Y1543-C1593 PolarHBondContact O-N 3.44Å; Y1543-C1593 VanDerWaalsContact O-N 3.09Å; C1593-V1595 PolarHBondContact O-N 3.14Å |
| 1594 | D | 65.6 | Low | 61.4 | Low | 77 Ų | 77 | 52.4 Ų | 52.4 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 55.8 | 0.7 | -177.8 | -70.4 | -35.5 | 0 | 0 | 0 | 117.2 | D1542 K1565 | D1542-D1594 WeakPolarHBondContact OD1-CB 3.43Å; K1565-D1594 IonicContact NZ-OD1 3.93Å; K1565-D1594 PolarHBondContact NZ-OD1 2.96Å |
| 1595 | V | 63.1 | Low | 60.9 | Low | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | trans | -63.1 | 131.5 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | I1520 D1542 V1592 C1593 L1599 I1600 | I1520-V1595 HydrophobicContact CD1-CG1 3.74Å; I1520-V1595 HydrophobicContact CD1-CG2 4.41Å; I1520-V1595 HydrophobicContact CG1-CG1 4.45Å; I1520-V1595 HydrophobicContact CG1-CG2 4.27Å; I1520-V1595 HydrophobicContact CG2-CG2 4.03Å; D1542-V1595 HydrophobicContact CB-CG2 4.25Å; V1592-V1595 HydrophobicContact CG1-CB 3.59Å; V1592-V1595 HydrophobicContact CG1-CG1 4.39Å; V1592-V1595 HydrophobicContact CG1-CG2 3.75Å; C1593-V1595 PolarHBondContact O-N 3.14Å; V1595-L1599 HydrophobicContact CG1-CB 3.82Å; V1595-I1600 HydrophobicContact CG1-CG1 4.02Å | ||
| 1596 | P | 65.1 | Low | 60.9 | Low | 42 Ų | 42 | 49.2 Ų | 49.2 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | trans | -64.4 | 141.1 | 172.1 | -21 | 32.4 | 0 | 0 | 0 | 112.6 | E1598 L1599 | P1596-E1598 PolarHBondContact O-N 2.91Å; P1596-L1599 HydrophobicContact CG-CD1 4.3Å; P1596-L1599 PolarHBondContact O-N 2.66Å | ||
| 1597 | D | 62.8 | Low | 60.8 | Low | 64 Ų | 64 | 50.2 Ų | 50.2 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -43.9 | -41.7 | 178.2 | -62.3 | -18 | 0 | 0 | 0 | 112.8 | L1599 I1600 | D1597-L1599 PolarHBondContact O-N 3.24Å; D1597-I1600 PolarHBondContact O-N 2.65Å; D1597-I1600 VanDerWaalsContact O-N 3.14Å |
| 1598 | E | 61.4 | Low | 60.4 | Low | 140 Ų | 140 | 47.3 Ų | 47.3 | 65% | 0.654 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -54.3 | -24 | 177.4 | -54.6 | 175.1 | -109.8 | 0 | 0 | 115.5 | K1455 P1596 | K1455-E1598 IonicContact NZ-OE1 2.75Å; P1596-E1598 PolarHBondContact O-N 2.91Å |
| 1599 | L | 61.9 | Low | 60.1 | Low | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -108.6 | -5.8 | -174.7 | -75.7 | 158.2 | 0 | 0 | 0 | 112.5 | K1455 I1520 V1595 P1596 D1597 F1602 T1603 | K1455-L1599 HydrophobicContact CD-CD1 4.41Å; I1520-L1599 HydrophobicContact CD1-CB 3.83Å; I1520-L1599 HydrophobicContact CD1-CD1 3.68Å; I1520-L1599 HydrophobicContact CD1-CD2 4.46Å; I1520-L1599 HydrophobicContact CD1-CG 4.18Å; V1595-L1599 HydrophobicContact CG1-CB 3.82Å; P1596-L1599 HydrophobicContact CG-CD1 4.3Å; P1596-L1599 PolarHBondContact O-N 2.66Å; D1597-L1599 PolarHBondContact O-N 3.24Å; L1599-F1602 WeakPolarHBondContact O-CB 3.37Å; L1599-T1603 PolarHBondContact O-OG1 3.39Å |
| 1600 | I | 60.7 | Low | 59.9 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.7 | -48.8 | 176.8 | -60 | -174.8 | 0 | 0 | 0 | 110 | L1567 H1572 V1592 V1595 D1597 F1602 T1603 F1604 | L1567-I1600 HydrophobicContact CD1-CD1 3.66Å; L1567-I1600 HydrophobicContact CD2-CD1 4.36Å; H1572-I1600 HydrophobicContact CB-CD1 4.48Å; H1572-I1600 HydrophobicContact CB-CG2 4.22Å; V1592-I1600 HydrophobicContact CG1-CD1 3.97Å; V1592-I1600 HydrophobicContact CG1-CG1 4.1Å; V1595-I1600 HydrophobicContact CG1-CG1 4.02Å; D1597-I1600 PolarHBondContact O-N 2.65Å; D1597-I1600 VanDerWaalsContact O-N 3.14Å; I1600-F1602 PolarHBondContact O-N 2.99Å; I1600-T1603 PolarHBondContact O-N 3.14Å; I1600-T1603 PolarHBondContact O-OG1 2.78Å; I1600-F1604 HydrophobicContact CG2-CD2 3.97Å; I1600-F1604 HydrophobicContact CG2-CE2 3.81Å; I1600-F1604 VanDerWaalsContact O-CD2 3.23Å; I1600-F1604 WeakPolarHBondContact O-CD2 3.49Å |
| 1601 | D | 57 | Low | 59.6 | Low | 98 Ų | 98 | 53 Ų | 53 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -54.9 | -36.4 | 174.4 | -72 | -21.5 | 0 | 0 | 0 | 111.5 | H1572 T1603 F1604 E1605 | H1572-D1601 IonicContact CE1-OD1 3.54Å; H1572-D1601 PolarHBondContact CE1-OD1 3.12Å; D1601-T1603 PolarHBondContact O-N 3.02Å; D1601-F1604 PolarHBondContact O-N 3.39Å; D1601-E1605 PolarHBondContact O-N 3.23Å |
| 1602 | F | 54.7 | Low | 59.4 | Low | 42 Ų | 42 | 55.3 Ų | 55.3 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -65 | -23.3 | 179.1 | -168.3 | -105.6 | 0 | 0 | 0 | 114.4 | V1457 D1470 L1599 I1600 | V1457-F1602 HydrophobicContact CG2-CD1 4.33Å; V1457-F1602 HydrophobicContact CG2-CE1 4.5Å; D1470-F1602 HydrophobicContact CB-CD2 4.46Å; D1470-F1602 HydrophobicContact CB-CE2 3.44Å; D1470-F1602 VanDerWaalsContact CB-CE2 3.44Å; D1470-F1602 HydrophobicContact CB-CZ 3.79Å; L1599-F1602 WeakPolarHBondContact O-CB 3.37Å; I1600-F1602 PolarHBondContact O-N 2.99Å |
| 1603 | T | 55.5 | Low | 59.1 | Low | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -93.2 | -4.5 | -179.5 | 36.2 | 0 | 0 | 0 | 0 | 114.7 | L1465 L1544 L1599 I1600 D1601 | L1465-T1603 HydrophobicContact CD2-CG2 4.06Å; L1544-T1603 HydrophobicContact CD1-CG2 4.19Å; L1544-T1603 WeakPolarHBondContact CD1-OG1 3.38Å; L1544-T1603 HydrophobicContact CD2-CG2 4.13Å; L1599-T1603 PolarHBondContact O-OG1 3.39Å; I1600-T1603 PolarHBondContact O-N 3.14Å; I1600-T1603 PolarHBondContact O-OG1 2.78Å; D1601-T1603 PolarHBondContact O-N 3.02Å |
| 1604 | F | 55.3 | Low | 58.6 | Low | 53 Ų | 53 | 61.8 Ų | 61.8 | 23% | 0.232 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 1.3 | -173.6 | -62.6 | -57.4 | 0 | 0 | 0 | 115.8 | L1544 Y1575 I1577 H1590 V1592 I1600 D1601 | L1544-F1604 HydrophobicContact CD1-CE2 4.17Å; L1544-F1604 HydrophobicContact CD1-CZ 3.88Å; L1544-F1604 HydrophobicContact CD2-CE1 4.46Å; L1544-F1604 HydrophobicContact CD2-CZ 4.34Å; L1544-F1604 HydrophobicContact CG-CZ 4.47Å; Y1575-F1604 AromaticContact CD2-CD2 3.84Å; Y1575-F1604 HydrophobicContact CD2-CD2 3.84Å; Y1575-F1604 AromaticContact CD2-CE2 3.85Å; Y1575-F1604 HydrophobicContact CD2-CE2 3.85Å; Y1575-F1604 HydrophobicContact CD2-CG 4.29Å; Y1575-F1604 HydrophobicContact CD2-CZ 4.31Å; Y1575-F1604 HydrophobicContact CE2-CD2 4.06Å; Y1575-F1604 HydrophobicContact CE2-CE2 4.3Å; I1577-F1604 HydrophobicContact CD1-CD1 4.24Å; H1590-F1604 HydrophobicContact CB-CE1 3.5Å; H1590-F1604 HydrophobicContact CB-CZ 3.55Å; H1590-F1604 AromaticContact CD2-CE1 3.75Å; H1590-F1604 AromaticContact CG-CE1 3.52Å; V1592-F1604 HydrophobicContact CG2-CE2 4.29Å; V1592-F1604 HydrophobicContact CG2-CZ 4.41Å; I1600-F1604 HydrophobicContact CG2-CD2 3.97Å; I1600-F1604 HydrophobicContact CG2-CE2 3.81Å; I1600-F1604 VanDerWaalsContact O-CD2 3.23Å; I1600-F1604 WeakPolarHBondContact O-CD2 3.49Å; D1601-F1604 PolarHBondContact O-N 3.39Å |
| 1605 | E | 39.9 | Very low | 57.9 | Low | 192 Ų | 192 | 60.5 Ų | 60.5 | 90% | 0.897 | 30% | 0.3 | S | S | * | . | trans | -80.4 | 0 | 162.4 | -70.7 | -163.6 | 150.5 | 0 | 0 | 113.3 | D1601 | D1601-E1605 PolarHBondContact O-N 3.23Š|
Retrieved 1,605 of 1,605 residues in 3092.7 ms
(Link to these results)