| 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 | 92.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | 0 | 130.1 | 0 | 177.5 | -165.8 | -178.3 | 0 | 0 | 107.9 | L3 T37 F48 R424 L425 | M1-L3 HydrophobicContact CE-CD2 3.75Å; M1-L3 HydrophobicContact CG-CD2 4.24Å; M1-L3 HydrophobicContact SD-CD2 3.71Å; M1-T37 HydrophobicContact CE-CG2 3.76Å; M1-T37 HydrophobicContact SD-CG2 3.78Å; M1-F48 HydrophobicContact CB-CB 4.39Å; M1-F48 HydrophobicContact CB-CD2 3.73Å; M1-F48 HydrophobicContact CB-CE2 4.15Å; M1-F48 HydrophobicContact CB-CG 3.98Å; M1-F48 HydrophobicContact CG-CB 4.4Å; M1-F48 HydrophobicContact CG-CG 4.43Å; M1-F48 HydrophobicContact SD-CB 3.58Å; M1-F48 VanDerWaalsContact SD-CB 3.58Å; M1-F48 HydrophobicContact SD-CD1 3.98Å; M1-F48 HydrophobicContact SD-CD2 4.45Å; M1-F48 HydrophobicContact SD-CG 3.75Å; M1-R424 CarbonylContact O-C 3.6Å; M1-R424 VanDerWaalsContact O-CA 3.32Å; M1-R424 WeakPolarHBondContact O-CA 3.09Å; M1-L425 PolarHBondContact N-O 2.83Å; M1-L425 PolarHBondContact O-N 3Å; M1-L425 HydrophobicContact SD-CD1 4.48Å | |||
| 2 | D | 93.8 | Very high | 92.2 | Very high | 122 Ų | 122 | 57.6 Ų | 57.6 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 135.5 | 172.4 | -61.5 | -46.3 | 0 | 0 | 0 | 109.9 | R424 | D2-R424 VanDerWaalsContact OD1-CB 3.27Å; D2-R424 WeakPolarHBondContact OD1-CB 3.39Å |
| 3 | L | 93.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -1.6 | -179.4 | -58 | -176.9 | 0 | 0 | 0 | 112.5 | M1 W28 M401 L423 L425 | M1-L3 HydrophobicContact CE-CD2 3.75Å; M1-L3 HydrophobicContact CG-CD2 4.24Å; M1-L3 HydrophobicContact SD-CD2 3.71Å; L3-W28 HydrophobicContact CB-CE3 4.27Å; L3-W28 HydrophobicContact CB-CH2 3.83Å; L3-W28 HydrophobicContact CB-CZ2 4.09Å; L3-W28 HydrophobicContact CB-CZ3 3.92Å; L3-W28 HydrophobicContact CD1-CD2 3.81Å; L3-W28 HydrophobicContact CD1-CE3 3.98Å; L3-W28 HydrophobicContact CD1-CG 4.1Å; L3-W28 HydrophobicContact CD1-CZ3 4.48Å; L3-W28 HydrophobicContact CD2-CD2 4.39Å; L3-W28 HydrophobicContact CD2-CH2 4.49Å; L3-W28 HydrophobicContact CD2-CZ2 3.88Å; L3-W28 HydrophobicContact CG-CD2 4.49Å; L3-W28 HydrophobicContact CG-CZ2 4.4Å; L3-W28 VanDerWaalsContact O-CH2 3.28Å; L3-W28 WeakPolarHBondContact O-CH2 3.32Å; L3-M401 HydrophobicContact CD1-CE 4.15Å; L3-L423 HydrophobicContact CB-CB 3.9Å; L3-L423 HydrophobicContact CD1-CB 4.41Å; L3-L423 PolarHBondContact N-O 3.29Å; L3-L425 HydrophobicContact CD1-CD1 4.08Å; L3-L425 HydrophobicContact CD1-CD2 4.44Å; L3-L425 HydrophobicContact CD1-CG 3.86Å; L3-L425 HydrophobicContact CD2-CD1 4.04Å; L3-L425 HydrophobicContact CD2-CG 4.38Å; L3-L425 HydrophobicContact CG-CD1 4.39Å; L3-L425 HydrophobicContact CG-CG 4.22Å |
| 4 | G | 92.9 | Very high | 92.5 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 88 | -144 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I422 L423 | G4-I422 CarbonylContact O-C 3.59Å; G4-I422 VanDerWaalsContact O-CA 3.3Å; G4-I422 WeakPolarHBondContact O-CA 3.09Å; G4-L423 PolarHBondContact O-N 2.63Å |
| 5 | K | 94.6 | Very high | 92.7 | Very high | 166 Ų | 166 | 49.1 Ų | 49.1 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.1 | -174.1 | -57.9 | 168.7 | -168.4 | 161.9 | 0 | 109.9 | Y421 | K5-Y421 WeakPolarHBondContact CA-O 3.48Å |
| 6 | A | 94.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L8 D30 K420 Y421 L423 | A6-L8 HydrophobicContact CB-CD2 4.28Å; A6-L8 HydrophobicContact CB-CG 4.08Å; A6-D30 CarbonylContact C-O 3.6Å; A6-D30 VanDerWaalsContact CA-O 3.25Å; A6-D30 WeakPolarHBondContact CA-O 3.4Å; A6-D30 HydrophobicContact CB-CB 4.37Å; A6-K420 CarbonylContact O-C 3.59Å; A6-K420 WeakPolarHBondContact O-CA 3.38Å; A6-Y421 PolarHBondContact N-O 3Å; A6-Y421 PolarHBondContact O-N 2.97Å; A6-L423 HydrophobicContact CB-CD1 3.38Å; A6-L423 HydrophobicContact CB-CG 3.7Å |
| 7 | K | 93.4 | Very high | 92.9 | Very high | 98 Ų | 98 | 46.1 Ų | 46.1 | 43% | 0.426 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 99.2 | 167.1 | -176.9 | -175.3 | 174.6 | -173.5 | 0 | 108.9 | D30 G31 T418 D419 | K7-D30 PolarHBondContact N-O 2.87Å; K7-G31 WeakPolarHBondContact O-CA 3.41Å; K7-T418 WeakPolarHBondContact CE-OG1 3.41Å; K7-D419 WeakPolarHBondContact CA-O 3.23Å |
| 8 | L | 92.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 164.7 | -176.9 | -61.7 | -172.6 | 0 | 0 | 0 | 112.2 | A6 T15 T29 K388 T418 D419 Y421 L423 | A6-L8 HydrophobicContact CB-CD2 4.28Å; A6-L8 HydrophobicContact CB-CG 4.08Å; L8-T15 HydrophobicContact CD1-CG2 4.33Å; L8-T29 HydrophobicContact CD2-CG2 4.16Å; L8-K388 HydrophobicContact CD1-CB 4.31Å; L8-K388 HydrophobicContact CD1-CG 4.32Å; L8-T418 CarbonylContact O-C 3.53Å; L8-T418 WeakPolarHBondContact O-CA 3.37Å; L8-T418 WeakPolarHBondContact O-CB 3.4Å; L8-D419 PolarHBondContact N-O 2.94Å; L8-D419 PolarHBondContact O-N 2.77Å; L8-Y421 HydrophobicContact CB-CD2 4.04Å; L8-Y421 HydrophobicContact CB-CE2 4.13Å; L8-L423 HydrophobicContact CD1-CD1 3.96Å; L8-L423 HydrophobicContact CD1-CD2 3.78Å; L8-L423 HydrophobicContact CD1-CG 4.46Å; L8-L423 HydrophobicContact CG-CD1 4.5Å |
| 9 | L | 91.9 | Very high | 93 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 141.6 | 167.1 | -69.5 | 172.2 | 0 | 0 | 0 | 111.1 | L13 F61 K388 N417 T418 | L9-L13 HydrophobicContact CD1-CD2 4.28Å; L9-F61 HydrophobicContact CD1-CB 4.15Å; L9-F61 HydrophobicContact CD1-CD2 4.3Å; L9-F61 HydrophobicContact CD1-CG 4.31Å; L9-F61 HydrophobicContact CD2-CD2 4.08Å; L9-F61 HydrophobicContact CD2-CE2 4.1Å; L9-F61 HydrophobicContact CD2-CG 4.34Å; L9-F61 HydrophobicContact CD2-CZ 4.37Å; L9-F61 HydrophobicContact CG-CD2 4.46Å; L9-F61 HydrophobicContact CG-CG 4.33Å; L9-K388 WeakPolarHBondContact O-CE 3.26Å; L9-K388 PolarHBondContact O-NZ 2.65Å; L9-N417 CarbonylContact C-O 3.57Å; L9-N417 WeakPolarHBondContact CA-O 3.41Å; L9-N417 WeakPolarHBondContact CD2-ND2 3.34Å; L9-T418 HydrophobicContact CD2-CG2 4.06Å |
| 10 | R | 90.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -72.3 | -38.2 | -177.2 | -64 | -169.5 | 92.7 | -121.7 | 5.1 | 112.9 | N358 K388 S416 N417 D419 | R10-N358 WeakPolarHBondContact O-CB 3.36Å; R10-K388 PolarHBondContact O-NZ 3.5Å; R10-K388 VanDerWaalsContact O-NZ 3.13Å; R10-S416 WeakPolarHBondContact CD-O 3.27Å; R10-N417 PolarHBondContact N-O 3.39Å; R10-D419 HydrophobicContact CG-CB 3.62Å; R10-D419 IonicContact CZ-OD2 3.55Å; R10-D419 VanDerWaalsContact CZ-OD2 3.3Å; R10-D419 IonicContact NE-OD2 3.55Å; R10-D419 PolarHBondContact NE-OD2 3.14Å; R10-D419 IonicContact NH2-OD2 3.44Å; R10-D419 PolarHBondContact NH2-OD2 3.36Å |
| 11 | S | 89.8 | Confident | 93 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 43% | 0.434 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -146 | 172 | -178 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | D342 | S11-D342 WeakPolarHBondContact CA-OD2 3.39Å; S11-D342 VanDerWaalsContact CB-OD2 3.23Å; S11-D342 WeakPolarHBondContact CB-OD2 3.48Å |
| 12 | G | 87.2 | Confident | 92.9 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 82.3 | 12 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S116 Q117 D342 | G12-S116 VanDerWaalsContact C-OG 3.28Å; G12-S116 WeakPolarHBondContact CA-OG 3.48Å; G12-S116 CarbonylContact O-C 3.55Å; G12-S116 WeakPolarHBondContact O-CB 3.42Å; G12-S116 PolarHBondContact O-OG 3.18Å; G12-Q117 WeakPolarHBondContact O-CG 3.45Å; G12-D342 PolarHBondContact N-OD2 2.77Å |
| 13 | L | 91.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | trans | -139.2 | 139.2 | 178.5 | 172.6 | 61.1 | 0 | 0 | 0 | 110.9 | L9 T15 F61 F64 S116 N358 | L9-L13 HydrophobicContact CD1-CD2 4.28Å; L13-T15 HydrophobicContact CD2-CG2 3.81Å; L13-T15 HydrophobicContact CG-CG2 3.99Å; L13-F61 WeakPolarHBondContact CD2-O 3.41Å; L13-F64 HydrophobicContact CD1-CE1 4.14Å; L13-F64 HydrophobicContact CD1-CZ 3.94Å; L13-S116 WeakPolarHBondContact CD1-O 3.3Å; L13-N358 PolarHBondContact O-ND2 3.02Å; L13-N358 PolarHBondContact O-OD1 3.1Å | ||
| 14 | N | 96.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | trans | -95.8 | 100.2 | 161 | 178.2 | -6.1 | 0 | 0 | 0 | 108.6 | L16 H17 I343 V344 G389 V390 | N14-L16 PolarHBondContact O-N 3.18Å; N14-L16 PolarHBondContact OD1-N 3.24Å; N14-H17 HydrophobicContact CB-CB 4.02Å; N14-H17 PolarHBondContact O-N 2.6Å; N14-H17 VanDerWaalsContact O-N 3.1Å; N14-H17 PolarHBondContact OD1-N 3.33Å; N14-I343 HydrophobicContact CB-CG1 4.27Å; N14-I343 HydrophobicContact CB-CG2 4.03Å; N14-V344 PolarHBondContact ND2-O 3.27Å; N14-G389 WeakPolarHBondContact OD1-CA 3.27Å; N14-V390 PolarHBondContact ND2-O 3.35Å; N14-V390 PolarHBondContact OD1-N 3.44Å; N14-V390 PolarHBondContact OD1-O 3.23Å | ||
| 15 | T | 95.2 | Very high | 92.4 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -0.6 | -178 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | L8 L13 K388 G389 M401 | L8-T15 HydrophobicContact CD1-CG2 4.33Å; L13-T15 HydrophobicContact CD2-CG2 3.81Å; L13-T15 HydrophobicContact CG-CG2 3.99Å; T15-K388 HydrophobicContact CG2-CB 4.47Å; T15-K388 WeakPolarHBondContact CG2-O 3.43Å; T15-K388 PolarHBondContact N-O 3.11Å; T15-K388 PolarHBondContact OG1-O 2.82Å; T15-G389 PolarHBondContact OG1-N 3.23Å; T15-M401 PolarHBondContact OG1-SD 2.85Å |
| 16 | L | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -3.8 | 171.8 | -65.7 | -178.9 | 0 | 0 | 0 | 113.5 | N14 Q18 A19 I26 C391 L399 M401 L425 | N14-L16 PolarHBondContact O-N 3.18Å; N14-L16 PolarHBondContact OD1-N 3.24Å; L16-Q18 PolarHBondContact O-N 3.32Å; L16-A19 HydrophobicContact CD2-CB 4.2Å; L16-A19 PolarHBondContact O-N 2.97Å; L16-I26 HydrophobicContact CD2-CG2 4.34Å; L16-C391 HydrophobicContact CB-CB 3.71Å; L16-C391 HydrophobicContact CD1-CB 4.39Å; L16-L399 HydrophobicContact CD1-CB 4.33Å; L16-L399 HydrophobicContact CD1-CD2 3.99Å; L16-L399 HydrophobicContact CD1-CG 3.82Å; L16-L399 HydrophobicContact CD2-CD2 4.44Å; L16-M401 HydrophobicContact CD1-CB 3.98Å; L16-M401 HydrophobicContact CD2-CB 4.33Å; L16-M401 HydrophobicContact CD2-CE 3.94Å; L16-M401 HydrophobicContact CG-CB 3.97Å; L16-L425 HydrophobicContact CD1-CD2 4.49Å; L16-L425 HydrophobicContact CD2-CD2 4.28Å |
| 17 | H | 94 | Very high | 92.6 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 21% | 0.213 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 123.9 | 172.1 | 179.1 | 97.1 | 0 | 0 | 0 | 109.1 | N14 A19 E210 | N14-H17 HydrophobicContact CB-CB 4.02Å; N14-H17 PolarHBondContact O-N 2.6Å; N14-H17 VanDerWaalsContact O-N 3.1Å; N14-H17 PolarHBondContact OD1-N 3.33Å; H17-A19 PolarHBondContact O-N 3.14Å; H17-A19 VanDerWaalsContact O-N 3.09Å; H17-E210 IonicContact CE1-OE1 2.73Å; H17-E210 IonicContact CE1-OE2 3.28Å; H17-E210 PolarHBondContact CE1-OE2 2.89Å; H17-E210 IonicContact ND1-OE2 2.71Å; H17-E210 PolarHBondContact ND1-OE2 1.94Å |
| 18 | Q | 92.4 | Very high | 92.8 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 22 | -174.6 | -67.1 | 174.1 | -14.3 | 0 | 0 | 114.8 | L16 F64 W65 | L16-Q18 PolarHBondContact O-N 3.32Å; Q18-F64 HydrophobicContact CB-CB 4.24Å; Q18-W65 WeakPolarHBondContact O-CB 3.4Å; Q18-W65 VanDerWaalsContact O-CD1 3.23Å; Q18-W65 PolarHBondContact O-N 3.2Å |
| 19 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -86.3 | -6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L16 H17 I26 A27 W65 | L16-A19 HydrophobicContact CD2-CB 4.2Å; L16-A19 PolarHBondContact O-N 2.97Å; H17-A19 PolarHBondContact O-N 3.14Å; H17-A19 VanDerWaalsContact O-N 3.09Å; A19-I26 CarbonylContact O-C 3.51Å; A19-I26 WeakPolarHBondContact O-CA 3.41Å; A19-A27 PolarHBondContact O-N 3.3Å; A19-W65 PolarHBondContact O-NE1 3.08Å; A19-W65 VanDerWaalsContact O-NE1 3.13Å | ||
| 20 | I | 94.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.5 | -172.5 | -43.8 | -172.6 | 0 | 0 | 0 | 111 | I26 L39 C391 L393 L399 | I20-I26 HydrophobicContact CG1-CG1 4.26Å; I20-L39 HydrophobicContact CD1-CD2 4.31Å; I20-L39 HydrophobicContact CG2-CD2 3.79Å; I20-C391 HydrophobicContact CD1-CB 4.46Å; I20-L393 HydrophobicContact CD1-CD2 3.46Å; I20-L393 VanDerWaalsContact CD1-CD2 3.46Å; I20-L399 HydrophobicContact CD1-CD2 3.99Å |
| 21 | H | 92.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 6% | 0.06 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.3 | 174.9 | -175.7 | -100.4 | 0 | 0 | 0 | 110.2 | V23 H24 G25 W65 L68 A75 | H21-V23 PolarHBondContact ND1-N 2.98Å; H21-V23 PolarHBondContact O-N 3.39Å; H21-V23 VanDerWaalsContact O-N 3.1Å; H21-H24 HydrophobicContact CB-CB 4.1Å; H21-H24 AromaticContact CE1-CD2 3.33Å; H21-H24 PolarHBondContact CE1-CD2 2.99Å; H21-H24 AromaticContact CE1-CG 3.94Å; H21-H24 AromaticContact CE1-NE2 3.72Å; H21-H24 AromaticContact CG-CD2 3.96Å; H21-H24 AromaticContact ND1-CD2 3.13Å; H21-H24 PolarHBondContact ND1-CD2 3.05Å; H21-H24 AromaticContact ND1-CG 3.36Å; H21-H24 PolarHBondContact ND1-N 3.22Å; H21-H24 AromaticContact ND1-NE2 3.94Å; H21-H24 PolarHBondContact O-N 2.77Å; H21-G25 PolarHBondContact N-O 3.3Å; H21-G25 PolarHBondContact O-N 2.89Å; H21-W65 HydrophobicContact CB-CD2 3.66Å; H21-W65 VanDerWaalsContact CB-CE2 3.48Å; H21-W65 HydrophobicContact CB-CE3 4.19Å; H21-W65 HydrophobicContact CB-CG 3.92Å; H21-W65 HydrophobicContact CB-CH2 4.39Å; H21-W65 HydrophobicContact CB-CZ2 3.87Å; H21-L68 VanDerWaalsContact NE2-CD2 3.34Å; H21-L68 WeakPolarHBondContact NE2-CD2 3.41Å; H21-A75 WeakPolarHBondContact NE2-CB 3.37Å |
| 22 | P | 88.4 | Confident | 93.5 | Very high | 85 Ų | 85 | 30.5 Ų | 30.5 | 55% | 0.552 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.8 | -170.3 | 25.2 | -35.3 | 0 | 0 | 0 | 114.3 | L68 | P22-L68 HydrophobicContact CG-CD1 3.65Å; P22-L68 HydrophobicContact CG-CD2 4.27Å |
| 23 | V | 87.9 | Confident | 93.9 | Very high | 99 Ų | 99 | 32.9 Ų | 32.9 | 60% | 0.6 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -22 | 179 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | H21 L92 | H21-V23 PolarHBondContact ND1-N 2.98Å; H21-V23 PolarHBondContact O-N 3.39Å; H21-V23 VanDerWaalsContact O-N 3.1Å; V23-L92 HydrophobicContact CG1-CD1 4Å |
| 24 | H | 89.8 | Confident | 94.1 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 11% | 0.111 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -5.8 | -172.2 | -61 | -36.4 | 0 | 0 | 0 | 114 | H21 L36 W65 | H21-H24 HydrophobicContact CB-CB 4.1Å; H21-H24 AromaticContact CE1-CD2 3.33Å; H21-H24 PolarHBondContact CE1-CD2 2.99Å; H21-H24 AromaticContact CE1-CG 3.94Å; H21-H24 AromaticContact CE1-NE2 3.72Å; H21-H24 AromaticContact CG-CD2 3.96Å; H21-H24 AromaticContact ND1-CD2 3.13Å; H21-H24 PolarHBondContact ND1-CD2 3.05Å; H21-H24 AromaticContact ND1-CG 3.36Å; H21-H24 PolarHBondContact ND1-N 3.22Å; H21-H24 AromaticContact ND1-NE2 3.94Å; H21-H24 PolarHBondContact O-N 2.77Å; H24-L36 HydrophobicContact CB-CD1 4.32Å; H24-W65 HydrophobicContact CB-CH2 3.63Å; H24-W65 HydrophobicContact CB-CZ2 3.74Å; H24-W65 AromaticContact CD2-CH2 3.55Å; H24-W65 AromaticContact CD2-CZ3 3.74Å; H24-W65 AromaticContact CG-CH2 3.92Å |
| 25 | G | 93 | Very high | 94.1 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.5 | -145.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | H21 T37 | H21-G25 PolarHBondContact N-O 3.3Å; H21-G25 PolarHBondContact O-N 2.89Å; G25-T37 CarbonylContact C-O 3.54Å; G25-T37 WeakPolarHBondContact CA-O 3.32Å |
| 26 | I | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.3 | -176 | -59 | 167.6 | 0 | 0 | 0 | 109.6 | L16 A19 I20 L36 T37 L39 F48 L399 L425 | L16-I26 HydrophobicContact CD2-CG2 4.34Å; A19-I26 CarbonylContact O-C 3.51Å; A19-I26 WeakPolarHBondContact O-CA 3.41Å; I20-I26 HydrophobicContact CG1-CG1 4.26Å; I26-L36 WeakPolarHBondContact O-CA 3.16Å; I26-T37 PolarHBondContact N-O 2.92Å; I26-T37 PolarHBondContact O-N 3.36Å; I26-L39 HydrophobicContact CD1-CB 4.44Å; I26-L39 HydrophobicContact CD1-CD1 3.89Å; I26-L39 HydrophobicContact CD1-CD2 4.04Å; I26-L39 HydrophobicContact CD1-CG 4.35Å; I26-L39 HydrophobicContact CG1-CB 4.2Å; I26-L39 HydrophobicContact CG1-CD1 4.5Å; I26-L39 HydrophobicContact CG1-CD2 3.92Å; I26-L39 HydrophobicContact CG1-CG 4.43Å; I26-F48 HydrophobicContact CD1-CD1 4.24Å; I26-F48 HydrophobicContact CD1-CE1 3.8Å; I26-L399 HydrophobicContact CD1-CD2 3.74Å; I26-L425 HydrophobicContact CD1-CD1 3.8Å |
| 27 | A | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A19 C35 L36 L63 W65 L77 | A19-A27 PolarHBondContact O-N 3.3Å; A27-C35 WeakPolarHBondContact CA-O 3.34Å; A27-L36 HydrophobicContact CB-CD2 3.73Å; A27-L63 HydrophobicContact CB-CB 4.45Å; A27-L63 HydrophobicContact CB-CD1 4.41Å; A27-W65 HydrophobicContact CB-CZ2 4.03Å; A27-L77 HydrophobicContact CB-CD1 4.05Å |
| 28 | W | 96.6 | Very high | 94 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.3 | 176.3 | 67.3 | -86 | 0 | 0 | 0 | 111.6 | L3 C35 T37 T51 L63 M401 | L3-W28 HydrophobicContact CB-CE3 4.27Å; L3-W28 HydrophobicContact CB-CH2 3.83Å; L3-W28 HydrophobicContact CB-CZ2 4.09Å; L3-W28 HydrophobicContact CB-CZ3 3.92Å; L3-W28 HydrophobicContact CD1-CD2 3.81Å; L3-W28 HydrophobicContact CD1-CE3 3.98Å; L3-W28 HydrophobicContact CD1-CG 4.1Å; L3-W28 HydrophobicContact CD1-CZ3 4.48Å; L3-W28 HydrophobicContact CD2-CD2 4.39Å; L3-W28 HydrophobicContact CD2-CH2 4.49Å; L3-W28 HydrophobicContact CD2-CZ2 3.88Å; L3-W28 HydrophobicContact CG-CD2 4.49Å; L3-W28 HydrophobicContact CG-CZ2 4.4Å; L3-W28 VanDerWaalsContact O-CH2 3.28Å; L3-W28 WeakPolarHBondContact O-CH2 3.32Å; W28-C35 HydrophobicContact CD2-CB 3.89Å; W28-C35 VanDerWaalsContact CE2-CB 3.49Å; W28-C35 HydrophobicContact CE3-CB 4.48Å; W28-C35 HydrophobicContact CG-CB 4.27Å; W28-C35 HydrophobicContact CH2-CB 4.36Å; W28-C35 HydrophobicContact CZ2-CB 3.79Å; W28-C35 PolarHBondContact N-O 2.78Å; W28-C35 PolarHBondContact O-N 2.7Å; W28-T37 PolarHBondContact NE1-OG1 2.9Å; W28-T51 HydrophobicContact CZ2-CG2 3.98Å; W28-L63 VanDerWaalsContact O-CD1 3.26Å; W28-L63 WeakPolarHBondContact O-CD1 3.48Å; W28-M401 HydrophobicContact CB-CE 3.94Å |
| 29 | T | 96.6 | Very high | 94 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.1 | -176.3 | -175.3 | 0 | 0 | 0 | 0 | 113 | L8 G31 Q33 V60 L63 | L8-T29 HydrophobicContact CD2-CG2 4.16Å; T29-G31 VanDerWaalsContact C-N 3.3Å; T29-G31 PolarHBondContact OG1-N 2.85Å; T29-Q33 VanDerWaalsContact CA-O 3.3Å; T29-Q33 WeakPolarHBondContact CA-O 3.47Å; T29-Q33 VanDerWaalsContact CB-O 3.22Å; T29-Q33 WeakPolarHBondContact CB-O 3.11Å; T29-Q33 PolarHBondContact OG1-O 2.74Å; T29-V60 HydrophobicContact CG2-CB 4.3Å; T29-V60 HydrophobicContact CG2-CG1 3.92Å; T29-V60 WeakPolarHBondContact OG1-CB 3.45Å; T29-L63 HydrophobicContact CG2-CD1 4.28Å |
| 30 | D | 94.8 | Very high | 93.8 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.9 | 0.1 | 165.4 | 70.3 | -0.7 | 0 | 0 | 0 | 113.1 | A6 K7 K32 Q33 | A6-D30 CarbonylContact C-O 3.6Å; A6-D30 VanDerWaalsContact CA-O 3.25Å; A6-D30 WeakPolarHBondContact CA-O 3.4Å; A6-D30 HydrophobicContact CB-CB 4.37Å; K7-D30 PolarHBondContact N-O 2.87Å; D30-K32 WeakPolarHBondContact OD1-CA 3.06Å; D30-K32 PolarHBondContact OD1-N 3.01Å; D30-Q33 PolarHBondContact OD1-N 2.79Å; D30-Q33 PolarHBondContact OD2-NE2 3.44Å |
| 31 | G | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 100.7 | -7.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K7 T29 V60 | K7-G31 WeakPolarHBondContact O-CA 3.41Å; T29-G31 VanDerWaalsContact C-N 3.3Å; T29-G31 PolarHBondContact OG1-N 2.85Å; G31-V60 PolarHBondContact O-N 3.08Å |
| 32 | K | 94.6 | Very high | 92.8 | Very high | 123 Ų | 123 | 39.1 Ų | 39.1 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -133.3 | -48.2 | 175.8 | -68.7 | -169 | 171.6 | -166.5 | 0 | 112.8 | D30 F57 V60 | D30-K32 WeakPolarHBondContact OD1-CA 3.06Å; D30-K32 PolarHBondContact OD1-N 3.01Å; K32-F57 WeakPolarHBondContact CA-O 3.33Å; K32-F57 WeakPolarHBondContact CB-O 3.48Å; K32-F57 PolarHBondContact O-N 2.84Å; K32-V60 WeakPolarHBondContact O-CG2 3.45Å |
| 33 | Q | 95.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 149.9 | -179.3 | -62.9 | 178.1 | 102.2 | 0 | 0 | 110.4 | T29 D30 V53 G55 Q56 | T29-Q33 VanDerWaalsContact CA-O 3.3Å; T29-Q33 WeakPolarHBondContact CA-O 3.47Å; T29-Q33 VanDerWaalsContact CB-O 3.22Å; T29-Q33 WeakPolarHBondContact CB-O 3.11Å; T29-Q33 PolarHBondContact OG1-O 2.74Å; D30-Q33 PolarHBondContact OD1-N 2.79Å; D30-Q33 PolarHBondContact OD2-NE2 3.44Å; Q33-V53 HydrophobicContact CB-CG1 4.16Å; Q33-V53 HydrophobicContact CG-CG1 4.4Å; Q33-G55 WeakPolarHBondContact CA-O 3.37Å; Q33-Q56 HydrophobicContact CG-CG 4.23Å |
| 34 | V | 96.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.1 | 169.3 | -180 | 0 | 0 | 0 | 0 | 108 | V53 I54 G55 F57 V60 L63 L77 V79 | V34-V53 WeakPolarHBondContact O-CA 3.48Å; V34-I54 HydrophobicContact CB-CG1 4.04Å; V34-I54 HydrophobicContact CG1-CD1 3.75Å; V34-I54 HydrophobicContact CG1-CG1 3.71Å; V34-I54 WeakPolarHBondContact O-CG1 3.19Å; V34-I54 PolarHBondContact O-N 3.31Å; V34-G55 PolarHBondContact N-O 3.08Å; V34-F57 HydrophobicContact CB-CE2 4.23Å; V34-F57 HydrophobicContact CG2-CD2 3.77Å; V34-F57 HydrophobicContact CG2-CE2 3.5Å; V34-V60 HydrophobicContact CG2-CG1 4.34Å; V34-V60 HydrophobicContact CG2-CG2 4.1Å; V34-L63 HydrophobicContact CB-CD2 4.45Å; V34-L63 HydrophobicContact CG1-CD1 3.9Å; V34-L63 HydrophobicContact CG1-CD2 3.73Å; V34-L63 HydrophobicContact CG1-CG 4.5Å; V34-L63 HydrophobicContact CG2-CD1 4.44Å; V34-L63 HydrophobicContact CG2-CD2 3.82Å; V34-L77 HydrophobicContact CG1-CD2 4.07Å; V34-V79 HydrophobicContact CG2-CG1 4.11Å; V34-V79 HydrophobicContact CG2-CG2 4.4Å |
| 35 | C | 95.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.4 | -173.1 | -60.6 | 0 | 0 | 0 | 0 | 110 | A27 W28 T51 N52 | A27-C35 WeakPolarHBondContact CA-O 3.34Å; W28-C35 HydrophobicContact CD2-CB 3.89Å; W28-C35 VanDerWaalsContact CE2-CB 3.49Å; W28-C35 HydrophobicContact CE3-CB 4.48Å; W28-C35 HydrophobicContact CG-CB 4.27Å; W28-C35 HydrophobicContact CH2-CB 4.36Å; W28-C35 HydrophobicContact CZ2-CB 3.79Å; W28-C35 PolarHBondContact N-O 2.78Å; W28-C35 PolarHBondContact O-N 2.7Å; C35-T51 HydrophobicContact CB-CG2 4.01Å; C35-N52 CarbonylContact C-O 3.49Å; C35-N52 WeakPolarHBondContact CA-O 3.46Å |
| 36 | L | 95.7 | Very high | 91.2 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.2 | 168 | -60 | -171.3 | 0 | 0 | 0 | 109.3 | H24 I26 A27 T51 N52 I54 W65 L90 L100 | H24-L36 HydrophobicContact CB-CD1 4.32Å; I26-L36 WeakPolarHBondContact O-CA 3.16Å; A27-L36 HydrophobicContact CB-CD2 3.73Å; L36-T51 CarbonylContact O-C 3.51Å; L36-T51 VanDerWaalsContact O-CA 3.28Å; L36-T51 WeakPolarHBondContact O-CA 3.49Å; L36-N52 PolarHBondContact N-O 2.94Å; L36-N52 PolarHBondContact O-N 2.81Å; L36-I54 HydrophobicContact CB-CG2 4.49Å; L36-I54 HydrophobicContact CD1-CD1 4.09Å; L36-I54 HydrophobicContact CD1-CG2 3.76Å; L36-I54 HydrophobicContact CD2-CD1 4.01Å; L36-I54 HydrophobicContact CG-CD1 3.88Å; L36-I54 HydrophobicContact CG-CG1 4.22Å; L36-I54 HydrophobicContact CG-CG2 3.77Å; L36-W65 HydrophobicContact CD1-CH2 4.25Å; L36-W65 HydrophobicContact CD1-CZ2 4.48Å; L36-W65 HydrophobicContact CD2-CH2 4.05Å; L36-W65 HydrophobicContact CD2-CZ2 3.62Å; L36-L90 HydrophobicContact CD1-CD2 3.84Å; L36-L100 HydrophobicContact CD1-CD2 3.84Å |
| 37 | T | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.3 | 173.2 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | M1 G25 I26 W28 L39 F48 D50 T51 | M1-T37 HydrophobicContact CE-CG2 3.76Å; M1-T37 HydrophobicContact SD-CG2 3.78Å; G25-T37 CarbonylContact C-O 3.54Å; G25-T37 WeakPolarHBondContact CA-O 3.32Å; I26-T37 PolarHBondContact N-O 2.92Å; I26-T37 PolarHBondContact O-N 3.36Å; W28-T37 PolarHBondContact NE1-OG1 2.9Å; T37-L39 PolarHBondContact O-N 2.85Å; T37-F48 HydrophobicContact CG2-CB 4.19Å; T37-F48 HydrophobicContact CG2-CD1 4.36Å; T37-D50 WeakPolarHBondContact CA-O 3.12Å; T37-T51 WeakPolarHBondContact OG1-CG2 3.48Å; T37-T51 PolarHBondContact OG1-OG1 3.42Å |
| 38 | A | 92.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 21% | 0.207 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 131.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y40 F48 G49 D50 | A38-Y40 HydrophobicContact CB-CE2 4.02Å; A38-F48 WeakPolarHBondContact O-CA 3.28Å; A38-G49 PolarHBondContact O-N 2.86Å; A38-D50 PolarHBondContact N-O 2.87Å |
| 39 | L | 92.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.9 | -179.1 | -175.5 | 68.5 | 0 | 0 | 0 | 109.9 | I20 I26 T37 V46 F48 L393 | I20-L39 HydrophobicContact CD1-CD2 4.31Å; I20-L39 HydrophobicContact CG2-CD2 3.79Å; I26-L39 HydrophobicContact CD1-CB 4.44Å; I26-L39 HydrophobicContact CD1-CD1 3.89Å; I26-L39 HydrophobicContact CD1-CD2 4.04Å; I26-L39 HydrophobicContact CD1-CG 4.35Å; I26-L39 HydrophobicContact CG1-CB 4.2Å; I26-L39 HydrophobicContact CG1-CD1 4.5Å; I26-L39 HydrophobicContact CG1-CD2 3.92Å; I26-L39 HydrophobicContact CG1-CG 4.43Å; T37-L39 PolarHBondContact O-N 2.85Å; L39-V46 HydrophobicContact CD1-CG1 3.61Å; L39-F48 HydrophobicContact CD1-CD1 3.78Å; L39-F48 HydrophobicContact CD1-CE1 3.61Å; L39-F48 HydrophobicContact CD1-CZ 4.4Å; L39-L393 HydrophobicContact CD2-CD2 3.97Å |
| 40 | Y | 88.9 | Confident | 90 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.1 | 175.6 | -51.8 | -69.1 | 0 | 0 | 0 | 109.6 | A38 K47 | A38-Y40 HydrophobicContact CB-CE2 4.02Å; Y40-K47 PolarHBondContact N-O 2.83Å; Y40-K47 PolarHBondContact O-N 2.93Å |
| 41 | F | 84.8 | Confident | 90 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.4 | 170.5 | -168.4 | -114.3 | 0 | 0 | 0 | 108.1 | G44 E45 V46 V397 | F41-G44 VanDerWaalsContact CE2-O 3.24Å; F41-G44 WeakPolarHBondContact CE2-O 3.37Å; F41-E45 WeakPolarHBondContact CA-O 3.44Å; F41-V46 HydrophobicContact CD2-CG2 4.05Å; F41-V46 HydrophobicContact CE2-CG2 4.16Å; F41-V397 HydrophobicContact CE2-CB 4.28Å; F41-V397 HydrophobicContact CE2-CG1 4.44Å; F41-V397 HydrophobicContact CE2-CG2 4.11Å; F41-V397 HydrophobicContact CZ-CG2 4.21Å |
| 42 | V | 81.1 | Confident | 89.9 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 42% | 0.418 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 122.1 | -170.2 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | G44 E45 | V42-G44 PolarHBondContact O-N 2.77Å; V42-G44 VanDerWaalsContact O-N 3.16Å; V42-E45 PolarHBondContact N-O 2.85Å; V42-E45 WeakPolarHBondContact O-CB 3.34Å; V42-E45 PolarHBondContact O-N 2.85Å |
| 43 | N | 76.5 | Confident | 89.9 | Confident | 164 Ų | 164 | 61.9 Ų | 61.9 | 88% | 0.877 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 30.8 | -180 | -56.2 | -3 | 0 | 0 | 0 | 114 | E45 | N43-E45 VanDerWaalsContact C-N 3.27Å; N43-E45 PolarHBondContact O-N 2.84Å |
| 44 | G | 76.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -14.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F41 V42 | F41-G44 VanDerWaalsContact CE2-O 3.24Å; F41-G44 WeakPolarHBondContact CE2-O 3.37Å; V42-G44 PolarHBondContact O-N 2.77Å; V42-G44 VanDerWaalsContact O-N 3.16Å |
| 45 | E | 83.9 | Confident | 89.5 | Confident | 109 Ų | 109 | 61.7 Ų | 61.7 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 143.8 | 176.3 | -61.6 | -171.8 | 130.3 | 0 | 0 | 112.2 | F41 V42 N43 K47 | F41-E45 WeakPolarHBondContact CA-O 3.44Å; V42-E45 PolarHBondContact N-O 2.85Å; V42-E45 WeakPolarHBondContact O-CB 3.34Å; V42-E45 PolarHBondContact O-N 2.85Å; N43-E45 VanDerWaalsContact C-N 3.27Å; N43-E45 PolarHBondContact O-N 2.84Å; E45-K47 WeakPolarHBondContact OE2-CE 3.34Å; E45-K47 IonicContact OE2-NZ 2.62Å; E45-K47 PolarHBondContact OE2-NZ 2.9Å |
| 46 | V | 89.2 | Confident | 89.5 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.5 | 173.5 | -171.2 | 0 | 0 | 0 | 0 | 109 | L39 F41 F48 L393 V397 | L39-V46 HydrophobicContact CD1-CG1 3.61Å; F41-V46 HydrophobicContact CD2-CG2 4.05Å; F41-V46 HydrophobicContact CE2-CG2 4.16Å; V46-F48 HydrophobicContact CG1-CE1 4.11Å; V46-F48 HydrophobicContact CG1-CE2 3.95Å; V46-F48 HydrophobicContact CG1-CZ 3.62Å; V46-L393 HydrophobicContact CB-CD1 4.36Å; V46-L393 HydrophobicContact CG1-CD1 3.85Å; V46-L393 HydrophobicContact CG2-CD1 3.5Å; V46-V397 HydrophobicContact CG2-CG1 3.75Å |
| 47 | K | 90.6 | Very high | 89.4 | Confident | 103 Ų | 103 | 70 Ų | 70 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.3 | 178.6 | -69 | 176.1 | -177.7 | 167.3 | 0 | 109.8 | Y40 E45 | Y40-K47 PolarHBondContact N-O 2.83Å; Y40-K47 PolarHBondContact O-N 2.93Å; E45-K47 WeakPolarHBondContact OE2-CE 3.34Å; E45-K47 IonicContact OE2-NZ 2.62Å; E45-K47 PolarHBondContact OE2-NZ 2.9Å |
| 48 | F | 92.1 | Very high | 89.2 | Confident | 52 Ų | 52 | 77.2 Ų | 77.2 | 23% | 0.228 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.2 | 178.7 | -53.1 | -87.2 | 0 | 0 | 0 | 108.3 | M1 I26 T37 A38 L39 V46 L399 L425 | M1-F48 HydrophobicContact CB-CB 4.39Å; M1-F48 HydrophobicContact CB-CD2 3.73Å; M1-F48 HydrophobicContact CB-CE2 4.15Å; M1-F48 HydrophobicContact CB-CG 3.98Å; M1-F48 HydrophobicContact CG-CB 4.4Å; M1-F48 HydrophobicContact CG-CG 4.43Å; M1-F48 HydrophobicContact SD-CB 3.58Å; M1-F48 VanDerWaalsContact SD-CB 3.58Å; M1-F48 HydrophobicContact SD-CD1 3.98Å; M1-F48 HydrophobicContact SD-CD2 4.45Å; M1-F48 HydrophobicContact SD-CG 3.75Å; I26-F48 HydrophobicContact CD1-CD1 4.24Å; I26-F48 HydrophobicContact CD1-CE1 3.8Å; T37-F48 HydrophobicContact CG2-CB 4.19Å; T37-F48 HydrophobicContact CG2-CD1 4.36Å; A38-F48 WeakPolarHBondContact O-CA 3.28Å; L39-F48 HydrophobicContact CD1-CD1 3.78Å; L39-F48 HydrophobicContact CD1-CE1 3.61Å; L39-F48 HydrophobicContact CD1-CZ 4.4Å; V46-F48 HydrophobicContact CG1-CE1 4.11Å; V46-F48 HydrophobicContact CG1-CE2 3.95Å; V46-F48 HydrophobicContact CG1-CZ 3.62Å; F48-L399 HydrophobicContact CE1-CD1 4.33Å; F48-L399 HydrophobicContact CZ-CD1 3.95Å; F48-L425 HydrophobicContact CD1-CD1 4.08Å; F48-L425 HydrophobicContact CE1-CB 4.07Å; F48-L425 HydrophobicContact CE1-CD1 3.65Å; F48-L425 HydrophobicContact CE1-CG 4.48Å; F48-L425 HydrophobicContact CZ-CB 3.9Å; F48-L425 HydrophobicContact CZ-CD1 4.34Å |
| 49 | G | 89.5 | Confident | 89.2 | Confident | 25 Ų | 25 | 79 Ų | 79 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -153.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A38 | A38-G49 PolarHBondContact O-N 2.86Å |
| 50 | D | 89.8 | Confident | 89.3 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 157.2 | -177.9 | -57 | -57.3 | 0 | 0 | 0 | 113.1 | T37 A38 | T37-D50 WeakPolarHBondContact CA-O 3.12Å; A38-D50 PolarHBondContact N-O 2.87Å |
| 51 | T | 93.3 | Very high | 89.5 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 34% | 0.344 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.9 | -179.5 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | W28 C35 L36 T37 | W28-T51 HydrophobicContact CZ2-CG2 3.98Å; C35-T51 HydrophobicContact CB-CG2 4.01Å; L36-T51 CarbonylContact O-C 3.51Å; L36-T51 VanDerWaalsContact O-CA 3.28Å; L36-T51 WeakPolarHBondContact O-CA 3.49Å; T37-T51 WeakPolarHBondContact OG1-CG2 3.48Å; T37-T51 PolarHBondContact OG1-OG1 3.42Å |
| 52 | N | 92.2 | Very high | 90 | Very high | 107 Ų | 107 | 69.5 Ų | 69.5 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.1 | -179.1 | -66.2 | -57.5 | 0 | 0 | 0 | 110.4 | C35 L36 | C35-N52 CarbonylContact C-O 3.49Å; C35-N52 WeakPolarHBondContact CA-O 3.46Å; L36-N52 PolarHBondContact N-O 2.94Å; L36-N52 PolarHBondContact O-N 2.81Å |
| 53 | V | 94.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 49% | 0.485 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.3 | 169.2 | -179 | 0 | 0 | 0 | 0 | 108.2 | Q33 V34 | Q33-V53 HydrophobicContact CB-CG1 4.16Å; Q33-V53 HydrophobicContact CG-CG1 4.4Å; V34-V53 WeakPolarHBondContact O-CA 3.48Å |
| 54 | I | 93.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.205 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -11.6 | -177.8 | 61.6 | 161.9 | 0 | 0 | 0 | 113.6 | V34 L36 L77 L90 L100 | V34-I54 HydrophobicContact CB-CG1 4.04Å; V34-I54 HydrophobicContact CG1-CD1 3.75Å; V34-I54 HydrophobicContact CG1-CG1 3.71Å; V34-I54 WeakPolarHBondContact O-CG1 3.19Å; V34-I54 PolarHBondContact O-N 3.31Å; L36-I54 HydrophobicContact CB-CG2 4.49Å; L36-I54 HydrophobicContact CD1-CD1 4.09Å; L36-I54 HydrophobicContact CD1-CG2 3.76Å; L36-I54 HydrophobicContact CD2-CD1 4.01Å; L36-I54 HydrophobicContact CG-CD1 3.88Å; L36-I54 HydrophobicContact CG-CG1 4.22Å; L36-I54 HydrophobicContact CG-CG2 3.77Å; I54-L77 HydrophobicContact CD1-CD2 3.76Å; I54-L90 HydrophobicContact CD1-CD2 3.84Å; I54-L100 HydrophobicContact CG2-CD2 3.67Å |
| 55 | G | 92.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 156.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q33 V34 | Q33-G55 WeakPolarHBondContact CA-O 3.37Å; V34-G55 PolarHBondContact N-O 3.08Å |
| 56 | Q | 94.6 | Very high | 93.1 | Very high | 148 Ų | 148 | 53 Ų | 53 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132.6 | 176.3 | -173.2 | 177.7 | 42.4 | 0 | 0 | 109.6 | Q33 | Q33-Q56 HydrophobicContact CG-CG 4.23Å |
| 57 | F | 94.2 | Very high | 93.1 | Very high | 42 Ų | 42 | 53 Ų | 53 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | trans | -136 | 165.3 | -173.5 | -53.9 | -93.3 | 0 | 0 | 0 | 110.1 | K32 V34 V60 V79 H81 W88 | K32-F57 WeakPolarHBondContact CA-O 3.33Å; K32-F57 WeakPolarHBondContact CB-O 3.48Å; K32-F57 PolarHBondContact O-N 2.84Å; V34-F57 HydrophobicContact CB-CE2 4.23Å; V34-F57 HydrophobicContact CG2-CD2 3.77Å; V34-F57 HydrophobicContact CG2-CE2 3.5Å; F57-V60 HydrophobicContact CB-CG2 3.81Å; F57-V60 HydrophobicContact CD2-CG2 3.85Å; F57-V60 HydrophobicContact CG-CG2 4.12Å; F57-V79 HydrophobicContact CD2-CG1 4.46Å; F57-V79 HydrophobicContact CE2-CG1 4.29Å; F57-V79 HydrophobicContact CZ-CG1 4.4Å; F57-V79 HydrophobicContact CZ-CG2 4.47Å; F57-H81 WeakPolarHBondContact CB-NE2 3.5Å; F57-H81 AromaticContact CD1-NE2 2.61Å; F57-H81 WeakPolarHBondContact CD1-NE2 3.37Å; F57-H81 AromaticContact CD2-NE2 3.43Å; F57-H81 WeakPolarHBondContact CD2-NE2 3.46Å; F57-H81 AromaticContact CE1-NE2 3.28Å; F57-H81 VanDerWaalsContact CE1-NE2 3.28Å; F57-H81 WeakPolarHBondContact CE1-NE2 3.35Å; F57-H81 AromaticContact CE2-NE2 3.98Å; F57-H81 AromaticContact CG-NE2 2.7Å; F57-H81 WeakPolarHBondContact CG-NE2 3.44Å; F57-H81 AromaticContact CZ-NE2 3.91Å; F57-W88 AromaticContact CE1-CZ2 3.78Å; F57-W88 HydrophobicContact CE1-CZ2 3.78Å; F57-W88 AromaticContact CE1-NE1 3.99Å; F57-W88 AromaticContact CZ-CE2 3.88Å; F57-W88 AromaticContact CZ-CZ2 3.87Å; F57-W88 HydrophobicContact CZ-CZ2 3.87Å; F57-W88 AromaticContact CZ-NE1 3.82Å | ||
| 58 | E | 90.8 | Very high | 92.8 | Very high | 151 Ų | 151 | 53.5 Ų | 53.5 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -67.4 | -45.9 | 178.9 | -164.7 | -150.4 | 136.3 | 0 | 0 | 112.1 | ||
| 59 | H | 91.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | trans | -150.1 | 112 | -175.5 | -73.7 | 107.6 | 0 | 0 | 0 | 110.3 | F61 H81 | H59-F61 HydrophobicContact CB-CE1 4.46Å; H59-H81 PolarHBondContact O-CE1 2.78Å; H59-H81 PolarHBondContact O-ND1 3.28Å | ||
| 60 | V | 95.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | trans | -107.2 | 126.1 | 171.6 | -173.1 | 0 | 0 | 0 | 0 | 109 | T29 G31 K32 V34 F57 L63 V79 | T29-V60 HydrophobicContact CG2-CB 4.3Å; T29-V60 HydrophobicContact CG2-CG1 3.92Å; T29-V60 WeakPolarHBondContact OG1-CB 3.45Å; G31-V60 PolarHBondContact O-N 3.08Å; K32-V60 WeakPolarHBondContact O-CG2 3.45Å; V34-V60 HydrophobicContact CG2-CG1 4.34Å; V34-V60 HydrophobicContact CG2-CG2 4.1Å; F57-V60 HydrophobicContact CB-CG2 3.81Å; F57-V60 HydrophobicContact CD2-CG2 3.85Å; F57-V60 HydrophobicContact CG-CG2 4.12Å; V60-L63 HydrophobicContact CG1-CD2 4.22Å; V60-L63 HydrophobicContact CG1-CG 4.23Å; V60-V79 HydrophobicContact CG1-CG1 3.89Å; V60-V79 HydrophobicContact CG2-CG1 4.25Å | ||
| 61 | F | 93.1 | Very high | 89.1 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 11% | 0.114 | 31% | 0.311 | C | S | . | . | trans | -107.5 | -30.3 | -179.3 | -78.1 | 6.1 | 0 | 0 | 0 | 113 | L9 L13 H59 Q80 K82 T418 | L9-F61 HydrophobicContact CD1-CB 4.15Å; L9-F61 HydrophobicContact CD1-CD2 4.3Å; L9-F61 HydrophobicContact CD1-CG 4.31Å; L9-F61 HydrophobicContact CD2-CD2 4.08Å; L9-F61 HydrophobicContact CD2-CE2 4.1Å; L9-F61 HydrophobicContact CD2-CG 4.34Å; L9-F61 HydrophobicContact CD2-CZ 4.37Å; L9-F61 HydrophobicContact CG-CD2 4.46Å; L9-F61 HydrophobicContact CG-CG 4.33Å; L13-F61 WeakPolarHBondContact CD2-O 3.41Å; H59-F61 HydrophobicContact CB-CE1 4.46Å; F61-Q80 PolarHBondContact N-O 3Å; F61-K82 HydrophobicContact CE2-CB 3.9Å; F61-K82 HydrophobicContact CE2-CG 3.95Å; F61-K82 HydrophobicContact CZ-CB 4.04Å; F61-K82 HydrophobicContact CZ-CD 4.42Å; F61-K82 HydrophobicContact CZ-CG 4.11Å; F61-T418 HydrophobicContact CE1-CG2 4.27Å | ||
| 62 | G | 94.8 | Very high | 88.1 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 159.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q80 | G62-Q80 PolarHBondContact N-O 3.01Å; G62-Q80 PolarHBondContact O-N 3.31Å |
| 63 | L | 96.9 | Very high | 87.7 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 126.4 | -176.9 | -71 | 170.8 | 0 | 0 | 0 | 109.3 | A27 W28 T29 V34 V60 L77 A78 V79 | A27-L63 HydrophobicContact CB-CB 4.45Å; A27-L63 HydrophobicContact CB-CD1 4.41Å; W28-L63 VanDerWaalsContact O-CD1 3.26Å; W28-L63 WeakPolarHBondContact O-CD1 3.48Å; T29-L63 HydrophobicContact CG2-CD1 4.28Å; V34-L63 HydrophobicContact CB-CD2 4.45Å; V34-L63 HydrophobicContact CG1-CD1 3.9Å; V34-L63 HydrophobicContact CG1-CD2 3.73Å; V34-L63 HydrophobicContact CG1-CG 4.5Å; V34-L63 HydrophobicContact CG2-CD1 4.44Å; V34-L63 HydrophobicContact CG2-CD2 3.82Å; V60-L63 HydrophobicContact CG1-CD2 4.22Å; V60-L63 HydrophobicContact CG1-CG 4.23Å; L63-L77 HydrophobicContact CB-CD1 4.45Å; L63-L77 HydrophobicContact CD2-CD1 4.46Å; L63-L77 HydrophobicContact CD2-CD2 4.5Å; L63-A78 WeakPolarHBondContact CA-O 3.25Å; L63-V79 HydrophobicContact CD2-CB 4.18Å; L63-V79 HydrophobicContact CD2-CG1 4Å; L63-V79 HydrophobicContact CD2-CG2 3.79Å |
| 64 | F | 96.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 117.9 | -172.1 | -46.9 | -89.1 | 0 | 0 | 0 | 110.1 | L13 Q18 A78 Q80 C119 W121 | L13-F64 HydrophobicContact CD1-CE1 4.14Å; L13-F64 HydrophobicContact CD1-CZ 3.94Å; Q18-F64 HydrophobicContact CB-CB 4.24Å; F64-A78 HydrophobicContact CB-CB 4.44Å; F64-A78 PolarHBondContact N-O 3.17Å; F64-A78 PolarHBondContact O-N 3.27Å; F64-Q80 HydrophobicContact CE2-CB 4.01Å; F64-C119 HydrophobicContact CD2-CB 3.52Å; F64-C119 HydrophobicContact CE2-CB 3.59Å; F64-C119 HydrophobicContact CG-CB 4.16Å; F64-C119 HydrophobicContact CZ-CB 4.28Å; F64-W121 PolarHBondContact O-NE1 2.93Å |
| 65 | W | 96.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.038 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 138.2 | 171.4 | -65.2 | 106.6 | 0 | 0 | 0 | 111 | Q18 A19 H21 H24 A27 L36 A75 L76 L77 L90 | Q18-W65 WeakPolarHBondContact O-CB 3.4Å; Q18-W65 VanDerWaalsContact O-CD1 3.23Å; Q18-W65 PolarHBondContact O-N 3.2Å; A19-W65 PolarHBondContact O-NE1 3.08Å; A19-W65 VanDerWaalsContact O-NE1 3.13Å; H21-W65 HydrophobicContact CB-CD2 3.66Å; H21-W65 VanDerWaalsContact CB-CE2 3.48Å; H21-W65 HydrophobicContact CB-CE3 4.19Å; H21-W65 HydrophobicContact CB-CG 3.92Å; H21-W65 HydrophobicContact CB-CH2 4.39Å; H21-W65 HydrophobicContact CB-CZ2 3.87Å; H24-W65 HydrophobicContact CB-CH2 3.63Å; H24-W65 HydrophobicContact CB-CZ2 3.74Å; H24-W65 AromaticContact CD2-CH2 3.55Å; H24-W65 AromaticContact CD2-CZ3 3.74Å; H24-W65 AromaticContact CG-CH2 3.92Å; A27-W65 HydrophobicContact CB-CZ2 4.03Å; L36-W65 HydrophobicContact CD1-CH2 4.25Å; L36-W65 HydrophobicContact CD1-CZ2 4.48Å; L36-W65 HydrophobicContact CD2-CH2 4.05Å; L36-W65 HydrophobicContact CD2-CZ2 3.62Å; W65-A75 HydrophobicContact CE3-CB 4.13Å; W65-A75 HydrophobicContact CZ3-CB 3.81Å; W65-L76 CarbonylContact C-O 3.5Å; W65-L76 WeakPolarHBondContact CA-O 3.44Å; W65-L77 HydrophobicContact CD2-CD1 3.96Å; W65-L77 HydrophobicContact CE3-CB 3.93Å; W65-L77 HydrophobicContact CE3-CD1 4.18Å; W65-L77 HydrophobicContact CG-CD1 4.31Å; W65-L77 HydrophobicContact CZ3-CB 3.97Å; W65-L90 HydrophobicContact CH2-CD2 3.6Å; W65-L90 HydrophobicContact CZ3-CB 4.44Å; W65-L90 HydrophobicContact CZ3-CD2 3.87Å |
| 66 | G | 94 | Very high | 87.5 | Confident | 11 Ų | 11 | 51 Ų | 51 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 170.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L76 W121 | G66-L76 PolarHBondContact N-O 2.84Å; G66-W121 VanDerWaalsContact CA-CD2 3.43Å; G66-W121 VanDerWaalsContact CA-CE2 3.5Å |
| 67 | P | 89.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 44 Ų | 44 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 152.2 | -177.9 | 28.8 | -36.8 | 0 | 0 | 0 | 113.1 | C69 H122 L125 | P67-C69 VanDerWaalsContact C-N 3.28Å; P67-C69 PolarHBondContact O-N 3.47Å; P67-H122 WeakPolarHBondContact CG-O 3.41Å; P67-L125 VanDerWaalsContact CG-O 3.25Å; P67-L125 WeakPolarHBondContact CG-O 3.01Å |
| 68 | L | 82.6 | Confident | 87.8 | Confident | 113 Ų | 113 | 42 Ų | 42 | 59% | 0.592 | 24% | 0.243 | S | C | * | . | trans | -83.3 | 69.2 | 175.2 | -64.3 | 165 | 0 | 0 | 0 | 110.1 | H21 P22 C70 | H21-L68 VanDerWaalsContact NE2-CD2 3.34Å; H21-L68 WeakPolarHBondContact NE2-CD2 3.41Å; P22-L68 HydrophobicContact CG-CD1 3.65Å; P22-L68 HydrophobicContact CG-CD2 4.27Å; L68-C70 PolarHBondContact O-N 3.19Å | ||
| 69 | C | 66.6 | Low | 88.1 | Confident | 46 Ų | 46 | 34.9 Ų | 34.9 | 31% | 0.311 | 21% | 0.21 | S | C | . | . | trans | -62.6 | -40 | -173.6 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | P67 D126 | P67-C69 VanDerWaalsContact C-N 3.28Å; P67-C69 PolarHBondContact O-N 3.47Å; C69-D126 PolarHBondContact SG-OD1 3.39Å | ||
| 70 | C | 64.5 | Low | 88.3 | Confident | 84 Ų | 84 | 32 Ų | 32 | 57% | 0.568 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -138 | 157.6 | -179.9 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | L68 D72 S73 | L68-C70 PolarHBondContact O-N 3.19Å; C70-D72 PolarHBondContact O-N 2.98Å; C70-S73 PolarHBondContact N-OG 2.85Å; C70-S73 PolarHBondContact O-OG 2.78Å; C70-S73 VanDerWaalsContact O-OG 3.05Å |
| 71 | S | 63.9 | Low | 88.2 | Confident | 116 Ų | 116 | 32.2 Ų | 32.2 | 81% | 0.811 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.8 | 177.3 | 41.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 72 | D | 71.3 | Confident | 88.1 | Confident | 138 Ų | 138 | 36.6 Ų | 36.6 | 74% | 0.738 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 4.4 | -170.1 | -53.1 | -90.9 | 0 | 0 | 0 | 112.6 | C70 | C70-D72 PolarHBondContact O-N 2.98Š|
| 73 | S | 83.5 | Confident | 87.9 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -75.8 | 128 | 174 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | C70 | C70-S73 PolarHBondContact N-OG 2.85Å; C70-S73 PolarHBondContact O-OG 2.78Å; C70-S73 VanDerWaalsContact O-OG 3.05Å |
| 74 | P | 89.7 | Confident | 87.7 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -51.4 | 141.9 | 172.4 | -33 | 40.3 | 0 | 0 | 0 | 113.3 | Q89 L90 Q91 R143 | P74-Q89 HydrophobicContact CB-CG 3.32Å; P74-Q89 HydrophobicContact CG-CG 4.27Å; P74-L90 CarbonylContact C-O 3.57Å; P74-Q91 HydrophobicContact CB-CB 4.15Å; P74-Q91 HydrophobicContact CG-CB 4.23Å; P74-Q91 HydrophobicContact CG-CG 4.16Å; P74-R143 PolarHBondContact O-NH1 3Å; P74-R143 PolarHBondContact O-NH2 2.87Å; P74-R143 VanDerWaalsContact O-NH2 3.15Å |
| 75 | A | 93.4 | Very high | 87.7 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 145.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H21 W65 Q89 L90 | H21-A75 WeakPolarHBondContact NE2-CB 3.37Å; W65-A75 HydrophobicContact CE3-CB 4.13Å; W65-A75 HydrophobicContact CZ3-CB 3.81Å; A75-Q89 CarbonylContact O-C 3.56Å; A75-Q89 WeakPolarHBondContact O-CA 3.33Å; A75-L90 HydrophobicContact CB-CB 4.32Å; A75-L90 PolarHBondContact N-O 2.88Å; A75-L90 PolarHBondContact O-N 2.91Å |
| 76 | L | 95.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.8 | 173.4 | -64.3 | 178.4 | 0 | 0 | 0 | 110.3 | W65 G66 V87 W88 Q89 W121 D126 R143 | W65-L76 CarbonylContact C-O 3.5Å; W65-L76 WeakPolarHBondContact CA-O 3.44Å; G66-L76 PolarHBondContact N-O 2.84Å; L76-V87 HydrophobicContact CB-CG1 4.26Å; L76-V87 HydrophobicContact CD2-CG1 4.28Å; L76-W88 CarbonylContact C-O 3.59Å; L76-W88 WeakPolarHBondContact CA-O 3.24Å; L76-Q89 HydrophobicContact CD2-CB 4.07Å; L76-Q89 HydrophobicContact CD2-CG 4.33Å; L76-W121 HydrophobicContact CB-CH2 3.74Å; L76-W121 HydrophobicContact CB-CZ2 4Å; L76-W121 HydrophobicContact CD1-CH2 3.81Å; L76-W121 HydrophobicContact CD1-CZ3 4.05Å; L76-W121 HydrophobicContact CG-CH2 4.41Å; L76-D126 HydrophobicContact CD1-CB 3.91Å; L76-R143 HydrophobicContact CD1-CG 3.97Å; L76-R143 HydrophobicContact CD2-CG 4.31Å |
| 77 | L | 96.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114 | 175.6 | -179.7 | 62.8 | 0 | 0 | 0 | 109.3 | A27 V34 I54 L63 W65 V79 V87 W88 L90 | A27-L77 HydrophobicContact CB-CD1 4.05Å; V34-L77 HydrophobicContact CG1-CD2 4.07Å; I54-L77 HydrophobicContact CD1-CD2 3.76Å; L63-L77 HydrophobicContact CB-CD1 4.45Å; L63-L77 HydrophobicContact CD2-CD1 4.46Å; L63-L77 HydrophobicContact CD2-CD2 4.5Å; W65-L77 HydrophobicContact CD2-CD1 3.96Å; W65-L77 HydrophobicContact CE3-CB 3.93Å; W65-L77 HydrophobicContact CE3-CD1 4.18Å; W65-L77 HydrophobicContact CG-CD1 4.31Å; W65-L77 HydrophobicContact CZ3-CB 3.97Å; L77-V79 HydrophobicContact CG-CG2 4.4Å; L77-V87 WeakPolarHBondContact O-CA 2.99Å; L77-W88 PolarHBondContact N-O 2.99Å; L77-W88 PolarHBondContact O-N 3.07Å; L77-L90 HydrophobicContact CB-CD1 4.4Å |
| 78 | A | 96.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L63 F64 V85 V87 W121 L128 | L63-A78 WeakPolarHBondContact CA-O 3.25Å; F64-A78 HydrophobicContact CB-CB 4.44Å; F64-A78 PolarHBondContact N-O 3.17Å; F64-A78 PolarHBondContact O-N 3.27Å; A78-V85 HydrophobicContact CB-CG1 4.06Å; A78-V87 HydrophobicContact CB-CG2 4.34Å; A78-W121 HydrophobicContact CB-CZ2 3.78Å; A78-L128 HydrophobicContact CB-CD2 3.86Å |
| 79 | V | 96.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.2 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | V34 F57 V60 L63 L77 H81 V85 T86 | V34-V79 HydrophobicContact CG2-CG1 4.11Å; V34-V79 HydrophobicContact CG2-CG2 4.4Å; F57-V79 HydrophobicContact CD2-CG1 4.46Å; F57-V79 HydrophobicContact CE2-CG1 4.29Å; F57-V79 HydrophobicContact CZ-CG1 4.4Å; F57-V79 HydrophobicContact CZ-CG2 4.47Å; V60-V79 HydrophobicContact CG1-CG1 3.89Å; V60-V79 HydrophobicContact CG2-CG1 4.25Å; L63-V79 HydrophobicContact CD2-CB 4.18Å; L63-V79 HydrophobicContact CD2-CG1 4Å; L63-V79 HydrophobicContact CD2-CG2 3.79Å; L77-V79 HydrophobicContact CG-CG2 4.4Å; V79-H81 WeakPolarHBondContact CG1-NE2 3.49Å; V79-H81 PolarHBondContact O-CD2 2.85Å; V79-V85 WeakPolarHBondContact O-CA 3.34Å; V79-V85 WeakPolarHBondContact O-CG1 3.47Å; V79-T86 PolarHBondContact N-O 3.09Å; V79-T86 PolarHBondContact O-N 2.75Å |
| 80 | Q | 95.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.6 | -178.5 | -169.9 | -167.4 | -41.5 | 0 | 0 | 110.7 | F61 G62 F64 L114 L115 | F61-Q80 PolarHBondContact N-O 3Å; G62-Q80 PolarHBondContact N-O 3.01Å; G62-Q80 PolarHBondContact O-N 3.31Å; F64-Q80 HydrophobicContact CE2-CB 4.01Å; Q80-L114 HydrophobicContact CG-CD1 3.84Å; Q80-L115 PolarHBondContact NE2-O 2.84Å |
| 81 | H | 94 | Very high | 90.8 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -109.5 | -176.4 | 174 | -49.7 | -81.5 | 0 | 0 | 0 | 110.8 | F57 H59 V79 K83 H84 | F57-H81 WeakPolarHBondContact CB-NE2 3.5Å; F57-H81 AromaticContact CD1-NE2 2.61Å; F57-H81 WeakPolarHBondContact CD1-NE2 3.37Å; F57-H81 AromaticContact CD2-NE2 3.43Å; F57-H81 WeakPolarHBondContact CD2-NE2 3.46Å; F57-H81 AromaticContact CE1-NE2 3.28Å; F57-H81 VanDerWaalsContact CE1-NE2 3.28Å; F57-H81 WeakPolarHBondContact CE1-NE2 3.35Å; F57-H81 AromaticContact CE2-NE2 3.98Å; F57-H81 AromaticContact CG-NE2 2.7Å; F57-H81 WeakPolarHBondContact CG-NE2 3.44Å; F57-H81 AromaticContact CZ-NE2 3.91Å; H59-H81 PolarHBondContact O-CE1 2.78Å; H59-H81 PolarHBondContact O-ND1 3.28Å; V79-H81 WeakPolarHBondContact CG1-NE2 3.49Å; V79-H81 PolarHBondContact O-CD2 2.85Å; H81-K83 VanDerWaalsContact C-N 3.34Å; H81-K83 PolarHBondContact O-N 3.4Å; H81-H84 WeakPolarHBondContact CA-O 3.47Å; H81-H84 VanDerWaalsContact CB-O 3.31Å; H81-H84 WeakPolarHBondContact CB-O 3.39Å; H81-H84 AromaticContact CD2-CD2 3.23Å; H81-H84 PolarHBondContact CD2-CD2 2.93Å; H81-H84 AromaticContact CD2-NE2 3.2Å; H81-H84 PolarHBondContact CD2-NE2 2.83Å; H81-H84 AromaticContact CG-CD2 3.71Å; H81-H84 AromaticContact CG-NE2 3.33Å; H81-H84 VanDerWaalsContact CG-NE2 3.33Å; H81-H84 PolarHBondContact N-O 3.43Å | ||
| 82 | K | 90.6 | Very high | 91.8 | Very high | 117 Ų | 117 | 37.2 Ų | 37.2 | 51% | 0.509 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -64.5 | -30.8 | -174.8 | -173.7 | 175.7 | 179.8 | 179.9 | 0 | 114.7 | F61 P113 L114 | F61-K82 HydrophobicContact CE2-CB 3.9Å; F61-K82 HydrophobicContact CE2-CG 3.95Å; F61-K82 HydrophobicContact CZ-CB 4.04Å; F61-K82 HydrophobicContact CZ-CD 4.42Å; F61-K82 HydrophobicContact CZ-CG 4.11Å; K82-P113 VanDerWaalsContact O-CA 3.27Å; K82-P113 WeakPolarHBondContact O-CA 3.44Å; K82-P113 WeakPolarHBondContact O-CB 3.34Å; K82-L114 PolarHBondContact O-N 3.03Å |
| 83 | K | 91.4 | Very high | 92.1 | Very high | 106 Ų | 106 | 31.5 Ų | 31.5 | 46% | 0.461 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -137.3 | -2.8 | -176.6 | -73.4 | -162.6 | 174.4 | -157.5 | 0 | 114.6 | H81 E110 P111 | H81-K83 VanDerWaalsContact C-N 3.34Å; H81-K83 PolarHBondContact O-N 3.4Å; K83-E110 PolarHBondContact O-N 3.49Å; K83-E110 VanDerWaalsContact O-N 3.14Å; K83-P111 PolarHBondContact NZ-O 2.77Å |
| 84 | H | 92.8 | Very high | 91.7 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 29% | 0.292 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 163.2 | -175.2 | 64.1 | -98.1 | 0 | 0 | 0 | 110.9 | H81 M108 L114 | H81-H84 WeakPolarHBondContact CA-O 3.47Å; H81-H84 VanDerWaalsContact CB-O 3.31Å; H81-H84 WeakPolarHBondContact CB-O 3.39Å; H81-H84 AromaticContact CD2-CD2 3.23Å; H81-H84 PolarHBondContact CD2-CD2 2.93Å; H81-H84 AromaticContact CD2-NE2 3.2Å; H81-H84 PolarHBondContact CD2-NE2 2.83Å; H81-H84 AromaticContact CG-CD2 3.71Å; H81-H84 AromaticContact CG-NE2 3.33Å; H81-H84 VanDerWaalsContact CG-NE2 3.33Å; H81-H84 PolarHBondContact N-O 3.43Å; H84-M108 CarbonylContact C-O 3.52Å; H84-M108 WeakPolarHBondContact CA-O 3.37Å; H84-M108 VanDerWaalsContact CB-O 3.24Å; H84-M108 WeakPolarHBondContact CB-O 3.3Å; H84-L114 WeakPolarHBondContact O-CD1 3.28Å |
| 85 | V | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.5 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 107.8 | A78 V79 M108 L114 C119 L128 V130 | A78-V85 HydrophobicContact CB-CG1 4.06Å; V79-V85 WeakPolarHBondContact O-CA 3.34Å; V79-V85 WeakPolarHBondContact O-CG1 3.47Å; V85-M108 PolarHBondContact N-O 3.13Å; V85-M108 PolarHBondContact O-N 2.72Å; V85-L114 HydrophobicContact CG2-CD1 3.44Å; V85-L114 VanDerWaalsContact CG2-CD1 3.44Å; V85-C119 VanDerWaalsContact CG2-SG 3.53Å; V85-L128 HydrophobicContact CG1-CD2 4.03Å; V85-V130 HydrophobicContact CG2-CG1 3.9Å; V85-V130 HydrophobicContact CG2-CG2 4.07Å |
| 86 | T | 94.9 | Very high | 90 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.9 | 164.8 | 56.9 | 0 | 0 | 0 | 0 | 108.4 | V79 W88 E107 | V79-T86 PolarHBondContact N-O 3.09Å; V79-T86 PolarHBondContact O-N 2.75Å; T86-W88 PolarHBondContact OG1-NE1 3.22Å; T86-E107 HydrophobicContact CG2-CG 4.06Å |
| 87 | V | 95.7 | Very high | 89 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.8 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | L76 L77 A78 Q104 T105 C106 W121 L128 V142 | L76-V87 HydrophobicContact CB-CG1 4.26Å; L76-V87 HydrophobicContact CD2-CG1 4.28Å; L77-V87 WeakPolarHBondContact O-CA 2.99Å; A78-V87 HydrophobicContact CB-CG2 4.34Å; V87-Q104 WeakPolarHBondContact O-CA 3.24Å; V87-T105 PolarHBondContact O-N 2.79Å; V87-C106 HydrophobicContact CB-CB 4.12Å; V87-C106 HydrophobicContact CG2-CB 4.33Å; V87-C106 PolarHBondContact N-O 2.87Å; V87-W121 HydrophobicContact CG1-CH2 3.83Å; V87-W121 HydrophobicContact CG1-CZ2 4.01Å; V87-L128 HydrophobicContact CG2-CD2 3.97Å; V87-V142 HydrophobicContact CB-CG1 3.87Å; V87-V142 HydrophobicContact CG1-CG1 3.68Å; V87-V142 HydrophobicContact CG2-CG1 3.76Å |
| 88 | W | 94.8 | Very high | 87.9 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.8 | -175.8 | -65 | 77.8 | 0 | 0 | 0 | 109.9 | F57 L76 L77 T86 L90 C102 T103 Q104 | F57-W88 AromaticContact CE1-CZ2 3.78Å; F57-W88 HydrophobicContact CE1-CZ2 3.78Å; F57-W88 AromaticContact CE1-NE1 3.99Å; F57-W88 AromaticContact CZ-CE2 3.88Å; F57-W88 AromaticContact CZ-CZ2 3.87Å; F57-W88 HydrophobicContact CZ-CZ2 3.87Å; F57-W88 AromaticContact CZ-NE1 3.82Å; L76-W88 CarbonylContact C-O 3.59Å; L76-W88 WeakPolarHBondContact CA-O 3.24Å; L77-W88 PolarHBondContact N-O 2.99Å; L77-W88 PolarHBondContact O-N 3.07Å; T86-W88 PolarHBondContact OG1-NE1 3.22Å; W88-L90 HydrophobicContact CB-CD1 3.8Å; W88-C102 HydrophobicContact CE3-CB 4.39Å; W88-T103 CarbonylContact C-O 3.57Å; W88-T103 WeakPolarHBondContact CA-O 3.11Å; W88-Q104 HydrophobicContact CD2-CB 4.19Å; W88-Q104 HydrophobicContact CE3-CB 4.12Å; W88-Q104 HydrophobicContact CH2-CB 3.98Å; W88-Q104 HydrophobicContact CZ2-CB 4.03Å; W88-Q104 HydrophobicContact CZ2-CG 4.24Å; W88-Q104 HydrophobicContact CZ3-CB 4.04Å |
| 89 | Q | 93.3 | Very high | 87.2 | Confident | 43 Ų | 43 | 64 Ų | 64 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.5 | 170.7 | -176.1 | 170.5 | -82.3 | 0 | 0 | 109.7 | P74 A75 L76 C102 T103 T105 | P74-Q89 HydrophobicContact CB-CG 3.32Å; P74-Q89 HydrophobicContact CG-CG 4.27Å; A75-Q89 CarbonylContact O-C 3.56Å; A75-Q89 WeakPolarHBondContact O-CA 3.33Å; L76-Q89 HydrophobicContact CD2-CB 4.07Å; L76-Q89 HydrophobicContact CD2-CG 4.33Å; Q89-C102 WeakPolarHBondContact O-CA 3.37Å; Q89-T103 PolarHBondContact N-O 3.4Å; Q89-T103 PolarHBondContact O-N 3.1Å; Q89-T105 HydrophobicContact CB-CG2 3.56Å |
| 90 | L | 92.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.5 | -176.8 | -88.7 | 69.1 | 0 | 0 | 0 | 110.4 | L36 I54 W65 P74 A75 L77 W88 L100 L101 C102 | L36-L90 HydrophobicContact CD1-CD2 3.84Å; I54-L90 HydrophobicContact CD1-CD2 3.84Å; W65-L90 HydrophobicContact CH2-CD2 3.6Å; W65-L90 HydrophobicContact CZ3-CB 4.44Å; W65-L90 HydrophobicContact CZ3-CD2 3.87Å; P74-L90 CarbonylContact C-O 3.57Å; A75-L90 HydrophobicContact CB-CB 4.32Å; A75-L90 PolarHBondContact N-O 2.88Å; A75-L90 PolarHBondContact O-N 2.91Å; L77-L90 HydrophobicContact CB-CD1 4.4Å; W88-L90 HydrophobicContact CB-CD1 3.8Å; L90-L100 HydrophobicContact CB-CD1 4.27Å; L90-L100 HydrophobicContact CD2-CD1 4.49Å; L90-L100 HydrophobicContact CD2-CD2 4.21Å; L90-L100 HydrophobicContact CG-CD1 4.4Å; L90-L101 WeakPolarHBondContact CA-O 3.3Å; L90-C102 HydrophobicContact CD1-CB 4.33Å |
| 91 | Q | 88.5 | Confident | 86.4 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 136.1 | -178.5 | -170.8 | 172.8 | 0.9 | 0 | 0 | 110.8 | P74 L101 | P74-Q91 HydrophobicContact CB-CB 4.15Å; P74-Q91 HydrophobicContact CG-CB 4.23Å; P74-Q91 HydrophobicContact CG-CG 4.16Å; Q91-L101 PolarHBondContact N-O 3.07Å; Q91-L101 PolarHBondContact O-N 3.14Å |
| 92 | L | 84.7 | Confident | 86.3 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 36% | 0.356 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.8 | 169.9 | -62.4 | 168.5 | 0 | 0 | 0 | 108.7 | V23 A94 N98 L100 | V23-L92 HydrophobicContact CG1-CD1 4Å; L92-A94 PolarHBondContact O-N 2.79Å; L92-N98 VanDerWaalsContact CD2-O 3.3Å; L92-N98 WeakPolarHBondContact CD2-O 3.47Å; L92-L100 HydrophobicContact CD2-CB 4.2Å; L92-L100 HydrophobicContact CD2-CD1 3.87Å; L92-L100 HydrophobicContact CG-CD1 4.44Å |
| 93 | S | 78.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 105.5 | 178.8 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | L95 E96 N98 K99 | S93-L95 PolarHBondContact O-N 2.8Å; S93-E96 CarbonylContact O-C 3.57Å; S93-E96 PolarHBondContact O-N 2.79Å; S93-E96 VanDerWaalsContact O-N 3.13Å; S93-E96 PolarHBondContact OG-N 2.74Å; S93-N98 VanDerWaalsContact O-CA 3.25Å; S93-N98 WeakPolarHBondContact O-CA 3.49Å; S93-N98 PolarHBondContact O-N 3.3Å; S93-K99 PolarHBondContact N-O 3.42Å |
| 94 | A | 74.5 | Confident | 86.5 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 76% | 0.76 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L92 | L92-A94 PolarHBondContact O-N 2.79Š|
| 95 | L | 71.9 | Confident | 86.4 | Confident | 171 Ų | 171 | 67 Ų | 67 | 90% | 0.895 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -31.8 | 177.3 | -153.3 | 79.8 | 0 | 0 | 0 | 112.5 | S93 | S93-L95 PolarHBondContact O-N 2.8Š|
| 96 | E | 75 | Confident | 86.2 | Confident | 88 Ų | 88 | 67 Ų | 67 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 46.3 | -179.8 | -58.9 | -171.1 | 160.6 | 0 | 0 | 111.9 | S93 N98 K99 | S93-E96 CarbonylContact O-C 3.57Å; S93-E96 PolarHBondContact O-N 2.79Å; S93-E96 VanDerWaalsContact O-N 3.13Å; S93-E96 PolarHBondContact OG-N 2.74Å; E96-N98 VanDerWaalsContact C-N 3.29Å; E96-N98 PolarHBondContact O-N 3.05Å; E96-K99 HydrophobicContact CB-CB 3.97Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 3.18Å; E96-K99 IonicContact OE1-NZ 2.78Å; E96-K99 WeakPolarHBondContact OE2-CD 3.43Å; E96-K99 WeakPolarHBondContact OE2-CE 3.45Å; E96-K99 IonicContact OE2-NZ 3.3Å; E96-K99 PolarHBondContact OE2-NZ 2.86Å |
| 97 | Q | 73.6 | Confident | 86.1 | Confident | 187 Ų | 187 | 71 Ų | 71 | 87% | 0.874 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 37 | 174.9 | -58.1 | -178.3 | -16.3 | 0 | 0 | 114.6 | K99 | Q97-K99 VanDerWaalsContact C-N 3.28Å; Q97-K99 PolarHBondContact O-N 3.37Å |
| 98 | N | 74.5 | Confident | 85.8 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 23 | -173.7 | -57.5 | -53.2 | 0 | 0 | 0 | 115.1 | L92 S93 E96 L100 | L92-N98 VanDerWaalsContact CD2-O 3.3Å; L92-N98 WeakPolarHBondContact CD2-O 3.47Å; S93-N98 VanDerWaalsContact O-CA 3.25Å; S93-N98 WeakPolarHBondContact O-CA 3.49Å; S93-N98 PolarHBondContact O-N 3.3Å; E96-N98 VanDerWaalsContact C-N 3.29Å; E96-N98 PolarHBondContact O-N 3.05Å; N98-L100 PolarHBondContact O-N 3.34Å |
| 99 | K | 82.5 | Confident | 85.5 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 133.2 | 167.1 | 175.5 | 170.2 | 153.1 | -126.2 | 0 | 110.4 | S93 E96 Q97 L101 | S93-K99 PolarHBondContact N-O 3.42Å; E96-K99 HydrophobicContact CB-CB 3.97Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 3.18Å; E96-K99 IonicContact OE1-NZ 2.78Å; E96-K99 WeakPolarHBondContact OE2-CD 3.43Å; E96-K99 WeakPolarHBondContact OE2-CE 3.45Å; E96-K99 IonicContact OE2-NZ 3.3Å; E96-K99 PolarHBondContact OE2-NZ 2.86Å; Q97-K99 VanDerWaalsContact C-N 3.28Å; Q97-K99 PolarHBondContact O-N 3.37Å; K99-L101 PolarHBondContact O-N 3.3Å |
| 100 | L | 86.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 118.8 | 179.7 | -175.1 | 69.6 | 0 | 0 | 0 | 110.3 | L36 I54 L90 L92 N98 | L36-L100 HydrophobicContact CD1-CD2 3.84Å; I54-L100 HydrophobicContact CG2-CD2 3.67Å; L90-L100 HydrophobicContact CB-CD1 4.27Å; L90-L100 HydrophobicContact CD2-CD1 4.49Å; L90-L100 HydrophobicContact CD2-CD2 4.21Å; L90-L100 HydrophobicContact CG-CD1 4.4Å; L92-L100 HydrophobicContact CD2-CB 4.2Å; L92-L100 HydrophobicContact CD2-CD1 3.87Å; L92-L100 HydrophobicContact CG-CD1 4.44Å; N98-L100 PolarHBondContact O-N 3.34Å |
| 101 | L | 89 | Confident | 84.8 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.1 | 169.1 | -58.1 | -179.8 | 0 | 0 | 0 | 109 | L90 Q91 K99 | L90-L101 WeakPolarHBondContact CA-O 3.3Å; Q91-L101 PolarHBondContact N-O 3.07Å; Q91-L101 PolarHBondContact O-N 3.14Å; K99-L101 PolarHBondContact O-N 3.3Å |
| 102 | C | 92.2 | Very high | 84.7 | Confident | 41 Ų | 41 | 74 Ų | 74 | 28% | 0.277 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.1 | 176.9 | -58 | 0 | 0 | 0 | 0 | 108.7 | W88 Q89 L90 | W88-C102 HydrophobicContact CE3-CB 4.39Å; Q89-C102 WeakPolarHBondContact O-CA 3.37Å; L90-C102 HydrophobicContact CD1-CB 4.33Å |
| 103 | T | 91.9 | Very high | 85 | Confident | 76 Ų | 76 | 74 Ų | 74 | 47% | 0.466 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.7 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 111 | W88 Q89 | W88-T103 CarbonylContact C-O 3.57Å; W88-T103 WeakPolarHBondContact CA-O 3.11Å; Q89-T103 PolarHBondContact N-O 3.4Å; Q89-T103 PolarHBondContact O-N 3.1Å |
| 104 | Q | 92.9 | Very high | 85.8 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 40% | 0.402 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 126.7 | 175.6 | -171.3 | 177.9 | -21 | 0 | 0 | 109.7 | V87 W88 E107 | V87-Q104 WeakPolarHBondContact O-CA 3.24Å; W88-Q104 HydrophobicContact CD2-CB 4.19Å; W88-Q104 HydrophobicContact CE3-CB 4.12Å; W88-Q104 HydrophobicContact CH2-CB 3.98Å; W88-Q104 HydrophobicContact CZ2-CB 4.03Å; W88-Q104 HydrophobicContact CZ2-CG 4.24Å; W88-Q104 HydrophobicContact CZ3-CB 4.04Å; Q104-E107 PolarHBondContact NE2-OE2 2.92Å |
| 105 | T | 91.8 | Very high | 86.7 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -30.6 | -179.5 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | V87 Q89 V142 | V87-T105 PolarHBondContact O-N 2.79Å; Q89-T105 HydrophobicContact CB-CG2 3.56Å; T105-V142 WeakPolarHBondContact CB-O 3.24Å; T105-V142 PolarHBondContact OG1-O 3.36Å |
| 106 | C | 90.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 143.2 | -173.9 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | V87 V142 N146 | V87-C106 HydrophobicContact CB-CB 4.12Å; V87-C106 HydrophobicContact CG2-CB 4.33Å; V87-C106 PolarHBondContact N-O 2.87Å; C106-V142 HydrophobicContact CB-CG1 4.05Å; C106-N146 WeakPolarHBondContact CA-OD1 3.12Å; C106-N146 PolarHBondContact SG-OD1 2.61Å |
| 107 | E | 92.8 | Very high | 88.4 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.8 | 168.2 | -169.7 | 171.4 | 142.2 | 0 | 0 | 110.5 | T86 Q104 N146 | T86-E107 HydrophobicContact CG2-CG 4.06Å; Q104-E107 PolarHBondContact NE2-OE2 2.92Å; E107-N146 PolarHBondContact N-OD1 2.99Å; E107-N146 VanDerWaalsContact N-OD1 3.08Å; E107-N146 VanDerWaalsContact O-CG 3.24Å; E107-N146 PolarHBondContact O-ND2 2.75Å; E107-N146 PolarHBondContact O-OD1 3.48Å |
| 108 | M | 89.6 | Confident | 89.1 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 108 | -173.2 | 175.1 | 72 | 145.7 | 0 | 0 | 109.7 | H84 V85 V130 L139 R148 | H84-M108 CarbonylContact C-O 3.52Å; H84-M108 WeakPolarHBondContact CA-O 3.37Å; H84-M108 VanDerWaalsContact CB-O 3.24Å; H84-M108 WeakPolarHBondContact CB-O 3.3Å; V85-M108 PolarHBondContact N-O 3.13Å; V85-M108 PolarHBondContact O-N 2.72Å; M108-V130 HydrophobicContact CE-CB 4.31Å; M108-V130 HydrophobicContact CG-CG1 4.37Å; M108-V130 HydrophobicContact CG-CG2 4.29Å; M108-L139 HydrophobicContact CB-CD1 3.86Å; M108-L139 HydrophobicContact CE-CD1 4.24Å; M108-L139 HydrophobicContact CE-CD2 4.08Å; M108-L139 HydrophobicContact CE-CG 3.92Å; M108-L139 HydrophobicContact CG-CD1 3.93Å; M108-L139 HydrophobicContact CG-CD2 4.49Å; M108-L139 HydrophobicContact CG-CG 4.48Å; M108-L139 HydrophobicContact SD-CD1 4.31Å; M108-L139 HydrophobicContact SD-CD2 3.86Å; M108-L139 HydrophobicContact SD-CG 4.23Å; M108-R148 HydrophobicContact CE-CB 4.21Å; M108-R148 PolarHBondContact SD-NH1 2.96Å |
| 109 | S | 89.4 | Confident | 90.1 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.4 | 169 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | R148 | S109-R148 PolarHBondContact O-NH1 2.84Å |
| 110 | E | 86.3 | Confident | 90.8 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | trans | -123.9 | 150.7 | 169.7 | -69.9 | -71.5 | 173.9 | 0 | 0 | 108.8 | K83 F112 L114 T132 S137 R148 K150 | K83-E110 PolarHBondContact O-N 3.49Å; K83-E110 VanDerWaalsContact O-N 3.14Å; E110-F112 VanDerWaalsContact C-N 3.29Å; E110-F112 PolarHBondContact O-N 2.85Å; E110-L114 HydrophobicContact CB-CD2 4.39Å; E110-L114 HydrophobicContact CG-CD2 4.46Å; E110-T132 HydrophobicContact CB-CG2 3.66Å; E110-T132 HydrophobicContact CG-CG2 3.95Å; E110-S137 PolarHBondContact OE1-OG 3.45Å; E110-R148 IonicContact OE1-NH1 2.82Å; E110-R148 PolarHBondContact OE1-NH1 2.82Å; E110-K150 IonicContact OE1-NZ 3.67Å; E110-K150 IonicContact OE2-NZ 3.83Å; E110-K150 PolarHBondContact OE2-NZ 2.88Å | ||
| 111 | P | 84.1 | Confident | 91.2 | Very high | 84 Ų | 84 | 40 Ų | 40 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -67.4 | -32.8 | -175.8 | 25.7 | -33.4 | 0 | 0 | 0 | 112.5 | K83 | K83-P111 PolarHBondContact NZ-O 2.77Š|
| 112 | F | 87.7 | Confident | 91.5 | Very high | 80 Ų | 80 | 37 Ų | 37 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -92.6 | 151.5 | 177.4 | -58.3 | -65.1 | 0 | 0 | 0 | 111.4 | E110 T132 | E110-F112 VanDerWaalsContact C-N 3.29Å; E110-F112 PolarHBondContact O-N 2.85Å; F112-T132 HydrophobicContact CB-CG2 4.26Å |
| 113 | P | 91.2 | Very high | 91.6 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 144.3 | 172 | -23.8 | 34.6 | 0 | 0 | 0 | 112.6 | K82 | K82-P113 VanDerWaalsContact O-CA 3.27Å; K82-P113 WeakPolarHBondContact O-CA 3.44Å; K82-P113 WeakPolarHBondContact O-CB 3.34Å |
| 114 | L | 94.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 152.1 | 174.6 | -58.2 | -177.6 | 0 | 0 | 0 | 110.6 | Q80 K82 H84 V85 E110 V130 L131 T132 | Q80-L114 HydrophobicContact CG-CD1 3.84Å; K82-L114 PolarHBondContact O-N 3.03Å; H84-L114 WeakPolarHBondContact O-CD1 3.28Å; V85-L114 HydrophobicContact CG2-CD1 3.44Å; V85-L114 VanDerWaalsContact CG2-CD1 3.44Å; E110-L114 HydrophobicContact CB-CD2 4.39Å; E110-L114 HydrophobicContact CG-CD2 4.46Å; L114-V130 HydrophobicContact CD1-CG1 4.37Å; L114-V130 HydrophobicContact CD2-CG1 3.61Å; L114-L131 WeakPolarHBondContact CA-O 3.45Å; L114-T132 HydrophobicContact CD2-CG2 4.09Å |
| 115 | L | 93.9 | Very high | 91.5 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 161.7 | 172.1 | -61.6 | -179.9 | 0 | 0 | 0 | 111.1 | Q80 G118 L131 T132 K133 I159 | Q80-L115 PolarHBondContact NE2-O 2.84Å; L115-G118 VanDerWaalsContact O-CA 3.22Å; L115-G118 WeakPolarHBondContact O-CA 3.49Å; L115-G118 PolarHBondContact O-N 2.63Å; L115-G118 VanDerWaalsContact O-N 3.13Å; L115-L131 HydrophobicContact CD1-CB 3.84Å; L115-L131 HydrophobicContact CG-CB 4.32Å; L115-L131 PolarHBondContact N-O 2.84Å; L115-T132 WeakPolarHBondContact CD1-O 3.48Å; L115-K133 HydrophobicContact CD2-CB 4.39Å; L115-K133 HydrophobicContact CD2-CG 3.62Å; L115-I159 HydrophobicContact CD1-CB 3.96Å; L115-I159 HydrophobicContact CD1-CG2 3.68Å; L115-I159 WeakPolarHBondContact CD1-O 3.22Å; L115-I159 WeakPolarHBondContact CD2-O 3.48Å |
| 116 | S | 91.1 | Very high | 91.5 | Very high | 35 Ų | 35 | 38 Ų | 38 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -36.2 | 173.8 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | G12 L13 G118 | G12-S116 VanDerWaalsContact C-OG 3.28Å; G12-S116 WeakPolarHBondContact CA-OG 3.48Å; G12-S116 CarbonylContact O-C 3.55Å; G12-S116 WeakPolarHBondContact O-CB 3.42Å; G12-S116 PolarHBondContact O-OG 3.18Å; L13-S116 WeakPolarHBondContact CD1-O 3.3Å; S116-G118 PolarHBondContact O-N 2.7Å |
| 117 | Q | 91.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 51.5 | 164.5 | -49.4 | -177.3 | 26.8 | 0 | 0 | 109 | G12 C161 C207 | G12-Q117 WeakPolarHBondContact O-CG 3.45Å; Q117-C161 HydrophobicContact CB-CB 3.88Å; Q117-C161 HydrophobicContact CG-CB 4.23Å; Q117-C207 PolarHBondContact NE2-O 2.82Å |
| 118 | G | 89.4 | Confident | 91.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -7.5 | -164 | 0 | 0 | 0 | 0 | 0 | 116.1 | L115 S116 V130 L131 | L115-G118 VanDerWaalsContact O-CA 3.22Å; L115-G118 WeakPolarHBondContact O-CA 3.49Å; L115-G118 PolarHBondContact O-N 2.63Å; L115-G118 VanDerWaalsContact O-N 3.13Å; S116-G118 PolarHBondContact O-N 2.7Å; G118-V130 CarbonylContact O-C 3.56Å; G118-V130 WeakPolarHBondContact O-CA 3.23Å; G118-L131 PolarHBondContact O-N 3.19Å |
| 119 | C | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.1 | -178.9 | -71.5 | 0 | 0 | 0 | 0 | 109.1 | F64 V85 L128 A129 | F64-C119 HydrophobicContact CD2-CB 3.52Å; F64-C119 HydrophobicContact CE2-CB 3.59Å; F64-C119 HydrophobicContact CG-CB 4.16Å; F64-C119 HydrophobicContact CZ-CB 4.28Å; V85-C119 VanDerWaalsContact CG2-SG 3.53Å; C119-L128 HydrophobicContact CB-CD1 4.13Å; C119-A129 WeakPolarHBondContact CA-O 3.3Å |
| 120 | V | 95.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.067 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 107.2 | -179.2 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | A129 L131 A162 W164 | V120-A129 HydrophobicContact CB-CB 4.31Å; V120-A129 PolarHBondContact N-O 2.65Å; V120-A129 PolarHBondContact O-N 2.83Å; V120-L131 HydrophobicContact CG2-CD1 3.8Å; V120-A162 HydrophobicContact CG2-CB 4.33Å; V120-A162 WeakPolarHBondContact CG2-O 3.25Å; V120-W164 PolarHBondContact O-NE1 2.83Å |
| 121 | W | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141 | 175.2 | -73 | 105.5 | 0 | 0 | 0 | 112 | F64 G66 L76 A78 V87 M127 L128 V142 W164 | F64-W121 PolarHBondContact O-NE1 2.93Å; G66-W121 VanDerWaalsContact CA-CD2 3.43Å; G66-W121 VanDerWaalsContact CA-CE2 3.5Å; L76-W121 HydrophobicContact CB-CH2 3.74Å; L76-W121 HydrophobicContact CB-CZ2 4Å; L76-W121 HydrophobicContact CD1-CH2 3.81Å; L76-W121 HydrophobicContact CD1-CZ3 4.05Å; L76-W121 HydrophobicContact CG-CH2 4.41Å; A78-W121 HydrophobicContact CB-CZ2 3.78Å; V87-W121 HydrophobicContact CG1-CH2 3.83Å; V87-W121 HydrophobicContact CG1-CZ2 4.01Å; W121-M127 VanDerWaalsContact CE3-O 3.31Å; W121-L128 HydrophobicContact CD2-CB 4.34Å; W121-L128 HydrophobicContact CD2-CD1 3.89Å; W121-L128 HydrophobicContact CE3-CB 4.01Å; W121-L128 HydrophobicContact CE3-CD1 4.4Å; W121-L128 HydrophobicContact CG-CD1 4.02Å; W121-L128 HydrophobicContact CH2-CB 4.45Å; W121-L128 HydrophobicContact CZ3-CB 4.06Å; W121-V142 HydrophobicContact CH2-CG1 3.89Å; W121-V142 HydrophobicContact CZ3-CB 4.49Å; W121-V142 HydrophobicContact CZ3-CG1 4.23Å; W121-V142 HydrophobicContact CZ3-CG2 4.39Å; W121-W164 VanDerWaalsContact O-CD1 3.31Å |
| 122 | H | 95.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | trans | -66.7 | 138.1 | 168.1 | 178.6 | -87.8 | 0 | 0 | 0 | 109.9 | P67 K124 L125 M127 W164 G168 | P67-H122 WeakPolarHBondContact CG-O 3.41Å; H122-K124 VanDerWaalsContact C-N 3.29Å; H122-K124 PolarHBondContact ND1-N 3.09Å; H122-K124 PolarHBondContact O-N 3.01Å; H122-L125 VanDerWaalsContact ND1-CB 3.32Å; H122-L125 WeakPolarHBondContact ND1-CB 3.39Å; H122-L125 PolarHBondContact ND1-N 2.9Å; H122-M127 HydrophobicContact CB-CB 3.89Å; H122-M127 PolarHBondContact N-O 3.45Å; H122-W164 HydrophobicContact CB-CD2 4.35Å; H122-W164 HydrophobicContact CB-CG 4.46Å; H122-W164 HydrophobicContact CB-CZ2 4.5Å; H122-W164 AromaticContact CD2-CD2 3.76Å; H122-W164 AromaticContact CD2-CE3 3.65Å; H122-W164 AromaticContact CD2-CZ3 3.85Å; H122-G168 VanDerWaalsContact NE2-CA 3.3Å; H122-G168 WeakPolarHBondContact NE2-CA 3.37Å; H122-G168 PolarHBondContact NE2-O 3.23Å | ||
| 123 | P | 92.9 | Very high | 93.7 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 33% | 0.325 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.1 | -167.8 | 27 | -36.6 | 0 | 0 | 0 | 115 | W164 | P123-W164 HydrophobicContact CG-CB 4.43Š|
| 124 | K | 90.9 | Very high | 93.6 | Very high | 107 Ų | 107 | 31.7 Ų | 31.7 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 3.9 | -169.2 | -59.2 | 177.3 | -175.6 | 169.5 | 0 | 115.1 | H122 K166 D167 E214 | H122-K124 VanDerWaalsContact C-N 3.29Å; H122-K124 PolarHBondContact ND1-N 3.09Å; H122-K124 PolarHBondContact O-N 3.01Å; K124-K166 WeakPolarHBondContact CE-O 3.41Å; K124-D167 WeakPolarHBondContact CD-O 3.26Å; K124-D167 WeakPolarHBondContact CE-O 3.36Å; K124-D167 VanDerWaalsContact NZ-CA 3.32Å; K124-D167 PolarHBondContact NZ-O 2.9Å; K124-E214 IonicContact NZ-OE2 2.69Å; K124-E214 PolarHBondContact NZ-OE2 2.87Å |
| 125 | L | 92 | Very high | 93.5 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 33% | 0.33 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -149.8 | 149.5 | -174 | -60.6 | 170.2 | 0 | 0 | 0 | 109.5 | P67 H122 M127 | P67-L125 VanDerWaalsContact CG-O 3.25Å; P67-L125 WeakPolarHBondContact CG-O 3.01Å; H122-L125 VanDerWaalsContact ND1-CB 3.32Å; H122-L125 WeakPolarHBondContact ND1-CB 3.39Å; H122-L125 PolarHBondContact ND1-N 2.9Å; L125-M127 HydrophobicContact CB-CG 3.87Å; L125-M127 HydrophobicContact CB-SD 3.95Å; L125-M127 HydrophobicContact CD1-SD 3.64Å; L125-M127 HydrophobicContact CG-SD 4.45Å; L125-M127 PolarHBondContact O-N 2.85Å |
| 126 | D | 92.4 | Very high | 93.5 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 20% | 0.203 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -71.7 | 60.8 | 178.3 | -59.1 | -58.1 | 0 | 0 | 0 | 112.9 | C69 L76 V142 R143 | C69-D126 PolarHBondContact SG-OD1 3.39Å; L76-D126 HydrophobicContact CD1-CB 3.91Å; D126-V142 WeakPolarHBondContact O-CB 3.48Å; D126-V142 VanDerWaalsContact O-CG2 3.32Å; D126-V142 WeakPolarHBondContact O-CG2 3.39Å; D126-R143 HydrophobicContact CB-CG 4.35Å; D126-R143 IonicContact OD1-CZ 2.83Å; D126-R143 IonicContact OD1-NE 2.63Å; D126-R143 PolarHBondContact OD1-NE 3Å; D126-R143 IonicContact OD1-NH2 2.61Å; D126-R143 PolarHBondContact OD1-NH2 2.97Å; D126-R143 IonicContact OD2-CZ 2.86Å; D126-R143 IonicContact OD2-NE 2.84Å; D126-R143 PolarHBondContact OD2-NE 2.73Å; D126-R143 IonicContact OD2-NH2 3.18Å; D126-R143 PolarHBondContact OD2-NH2 3.15Å |
| 127 | M | 93.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | trans | -128.2 | 138.1 | -176.6 | -52.8 | 176.1 | 33.5 | 0 | 0 | 110.7 | W121 H122 L125 V138 L139 F140 W164 W184 | W121-M127 VanDerWaalsContact CE3-O 3.31Å; H122-M127 HydrophobicContact CB-CB 3.89Å; H122-M127 PolarHBondContact N-O 3.45Å; L125-M127 HydrophobicContact CB-CG 3.87Å; L125-M127 HydrophobicContact CB-SD 3.95Å; L125-M127 HydrophobicContact CD1-SD 3.64Å; L125-M127 HydrophobicContact CG-SD 4.45Å; L125-M127 PolarHBondContact O-N 2.85Å; M127-V138 HydrophobicContact CE-CG1 3.6Å; M127-L139 CarbonylContact C-O 3.53Å; M127-L139 WeakPolarHBondContact CA-O 3.48Å; M127-L139 WeakPolarHBondContact CB-O 3.47Å; M127-F140 HydrophobicContact CE-CB 4.15Å; M127-F140 HydrophobicContact CG-CB 4.3Å; M127-F140 HydrophobicContact SD-CB 4.37Å; M127-W164 HydrophobicContact CE-CH2 4.24Å; M127-W164 HydrophobicContact CE-CZ2 4.36Å; M127-W184 HydrophobicContact CE-CD2 3.71Å; M127-W184 HydrophobicContact CE-CE3 4.05Å; M127-W184 HydrophobicContact CE-CG 4.3Å; M127-W184 HydrophobicContact CE-CH2 3.86Å; M127-W184 HydrophobicContact CE-CZ2 3.48Å; M127-W184 VanDerWaalsContact CE-CZ2 3.48Å; M127-W184 HydrophobicContact CE-CZ3 4.12Å; M127-W184 HydrophobicContact SD-CZ2 3.89Å | ||
| 128 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120 | -175.8 | 179.3 | 62 | 0 | 0 | 0 | 110.6 | A78 V85 V87 C119 W121 V130 L139 V142 | A78-L128 HydrophobicContact CB-CD2 3.86Å; V85-L128 HydrophobicContact CG1-CD2 4.03Å; V87-L128 HydrophobicContact CG2-CD2 3.97Å; C119-L128 HydrophobicContact CB-CD1 4.13Å; W121-L128 HydrophobicContact CD2-CB 4.34Å; W121-L128 HydrophobicContact CD2-CD1 3.89Å; W121-L128 HydrophobicContact CE3-CB 4.01Å; W121-L128 HydrophobicContact CE3-CD1 4.4Å; W121-L128 HydrophobicContact CG-CD1 4.02Å; W121-L128 HydrophobicContact CH2-CB 4.45Å; W121-L128 HydrophobicContact CZ3-CB 4.06Å; L128-V130 HydrophobicContact CD2-CG2 4.08Å; L128-V130 HydrophobicContact CG-CG2 3.95Å; L128-L139 HydrophobicContact CB-CB 4.47Å; L128-L139 HydrophobicContact CB-CD1 4.41Å; L128-L139 HydrophobicContact CD2-CD1 4.38Å; L128-L139 PolarHBondContact N-O 3.12Å; L128-L139 PolarHBondContact O-N 2.96Å; L128-V142 HydrophobicContact CB-CG2 4.24Å |
| 129 | A | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | C119 V120 S137 V138 L171 | C119-A129 WeakPolarHBondContact CA-O 3.3Å; V120-A129 HydrophobicContact CB-CB 4.31Å; V120-A129 PolarHBondContact N-O 2.65Å; V120-A129 PolarHBondContact O-N 2.83Å; A129-S137 CarbonylContact C-O 3.52Å; A129-S137 WeakPolarHBondContact CA-O 3.22Å; A129-V138 HydrophobicContact CB-CG2 4.13Å; A129-L171 HydrophobicContact CB-CD1 4.33Å; A129-L171 HydrophobicContact CB-CD2 4.13Å |
| 130 | V | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.5 | -179.5 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | V85 M108 L114 G118 L128 S137 L139 | V85-V130 HydrophobicContact CG2-CG1 3.9Å; V85-V130 HydrophobicContact CG2-CG2 4.07Å; M108-V130 HydrophobicContact CE-CB 4.31Å; M108-V130 HydrophobicContact CG-CG1 4.37Å; M108-V130 HydrophobicContact CG-CG2 4.29Å; L114-V130 HydrophobicContact CD1-CG1 4.37Å; L114-V130 HydrophobicContact CD2-CG1 3.61Å; G118-V130 CarbonylContact O-C 3.56Å; G118-V130 WeakPolarHBondContact O-CA 3.23Å; L128-V130 HydrophobicContact CD2-CG2 4.08Å; L128-V130 HydrophobicContact CG-CG2 3.95Å; V130-S137 PolarHBondContact N-O 3.17Å; V130-S137 PolarHBondContact O-N 2.76Å; V130-L139 HydrophobicContact CG2-CD1 3.9Å |
| 131 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.6 | -169.8 | -58.2 | 102.6 | 0 | 0 | 0 | 112.9 | L114 L115 G118 V120 T136 I159 A162 V173 | L114-L131 WeakPolarHBondContact CA-O 3.45Å; L115-L131 HydrophobicContact CD1-CB 3.84Å; L115-L131 HydrophobicContact CG-CB 4.32Å; L115-L131 PolarHBondContact N-O 2.84Å; G118-L131 PolarHBondContact O-N 3.19Å; V120-L131 HydrophobicContact CG2-CD1 3.8Å; L131-T136 HydrophobicContact CD2-CG2 3.99Å; L131-T136 WeakPolarHBondContact CD2-OG1 3.5Å; L131-T136 HydrophobicContact CG-CG2 4.11Å; L131-I159 HydrophobicContact CD2-CG2 3.92Å; L131-A162 HydrophobicContact CD1-CB 4.05Å; L131-A162 HydrophobicContact CD2-CB 3.39Å; L131-A162 HydrophobicContact CG-CB 4.37Å; L131-V173 HydrophobicContact CD2-CG1 4.28Å |
| 132 | T | 94.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 179.4 | 166.7 | 67.4 | 0 | 0 | 0 | 0 | 109.5 | E110 F112 L114 L115 R134 D135 | E110-T132 HydrophobicContact CB-CG2 3.66Å; E110-T132 HydrophobicContact CG-CG2 3.95Å; F112-T132 HydrophobicContact CB-CG2 4.26Å; L114-T132 HydrophobicContact CD2-CG2 4.09Å; L115-T132 WeakPolarHBondContact CD1-O 3.48Å; T132-R134 PolarHBondContact O-N 3.19Å; T132-R134 VanDerWaalsContact O-N 3.11Å; T132-R134 PolarHBondContact OG1-N 2.94Å; T132-D135 PolarHBondContact N-O 3.18Å; T132-D135 PolarHBondContact OG1-N 2.79Å; T132-D135 PolarHBondContact OG1-O 3.37Å |
| 133 | K | 91.8 | Very high | 93 | Very high | 123 Ų | 123 | 34.6 Ų | 34.6 | 54% | 0.535 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -62.5 | -10.9 | 173.4 | -76.5 | -166.7 | 172.3 | -165.9 | 0 | 115.6 | L115 L158 I159 | L115-K133 HydrophobicContact CD2-CB 4.39Å; L115-K133 HydrophobicContact CD2-CG 3.62Å; K133-L158 HydrophobicContact CB-CD2 4.43Å; K133-L158 WeakPolarHBondContact O-CA 3.44Å; K133-I159 PolarHBondContact O-N 2.81Å; K133-I159 VanDerWaalsContact O-N 3.13Å |
| 134 | R | 89.7 | Confident | 92.5 | Very high | 152 Ų | 152 | 38 Ų | 38 | 57% | 0.574 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -132.6 | -39.2 | -172.3 | -68.4 | -179.5 | 174.6 | 176.8 | -3.9 | 113.6 | T132 I159 | T132-R134 PolarHBondContact O-N 3.19Å; T132-R134 VanDerWaalsContact O-N 3.11Å; T132-R134 PolarHBondContact OG1-N 2.94Å; R134-I159 VanDerWaalsContact C-CD1 3.5Å; R134-I159 WeakPolarHBondContact O-CD1 3.35Å |
| 135 | D | 91.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | trans | -115.9 | 141.2 | -173.5 | -59.2 | 13.5 | 0 | 0 | 0 | 110.8 | T132 K150 | T132-D135 PolarHBondContact N-O 3.18Å; T132-D135 PolarHBondContact OG1-N 2.79Å; T132-D135 PolarHBondContact OG1-O 3.37Å; D135-K150 HydrophobicContact CB-CD 4.32Å; D135-K150 IonicContact OD2-NZ 3.17Å; D135-K150 PolarHBondContact OD2-NZ 2.86Å | ||
| 136 | T | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126 | 163.8 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | L131 K150 A151 L171 V173 | L131-T136 HydrophobicContact CD2-CG2 3.99Å; L131-T136 WeakPolarHBondContact CD2-OG1 3.5Å; L131-T136 HydrophobicContact CG-CG2 4.11Å; T136-K150 WeakPolarHBondContact O-CA 3.5Å; T136-A151 HydrophobicContact CG2-CB 4.5Å; T136-A151 PolarHBondContact O-N 3.04Å; T136-L171 HydrophobicContact CG2-CD2 3.88Å; T136-V173 HydrophobicContact CG2-CG2 4.35Å |
| 137 | S | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 178.8 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | E110 A129 V130 I149 K150 | E110-S137 PolarHBondContact OE1-OG 3.45Å; A129-S137 CarbonylContact C-O 3.52Å; A129-S137 WeakPolarHBondContact CA-O 3.22Å; V130-S137 PolarHBondContact N-O 3.17Å; V130-S137 PolarHBondContact O-N 2.76Å; S137-I149 CarbonylContact C-O 3.54Å; S137-I149 WeakPolarHBondContact CA-O 3.47Å; S137-K150 WeakPolarHBondContact OG-CE 3.48Å |
| 138 | V | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114 | 172.3 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | M127 A129 R148 I149 W164 L171 W184 L191 | M127-V138 HydrophobicContact CE-CG1 3.6Å; A129-V138 HydrophobicContact CB-CG2 4.13Å; V138-R148 CarbonylContact O-C 3.5Å; V138-R148 VanDerWaalsContact O-CA 3.23Å; V138-R148 WeakPolarHBondContact O-CA 3.46Å; V138-I149 HydrophobicContact CB-CG2 4.25Å; V138-I149 PolarHBondContact N-O 3.14Å; V138-I149 PolarHBondContact O-N 3.27Å; V138-W164 HydrophobicContact CG1-CH2 4.44Å; V138-W164 HydrophobicContact CG1-CZ2 4.04Å; V138-W164 HydrophobicContact CG2-CH2 4.42Å; V138-W164 HydrophobicContact CG2-CZ2 4.01Å; V138-L171 HydrophobicContact CG2-CD2 3.78Å; V138-W184 HydrophobicContact CG1-CZ3 4.32Å; V138-L191 HydrophobicContact CG2-CD2 3.83Å |
| 139 | L | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.2 | 166.6 | -67.8 | 156.4 | 0 | 0 | 0 | 108.5 | M108 M127 L128 V130 V142 R147 R148 | M108-L139 HydrophobicContact CB-CD1 3.86Å; M108-L139 HydrophobicContact CE-CD1 4.24Å; M108-L139 HydrophobicContact CE-CD2 4.08Å; M108-L139 HydrophobicContact CE-CG 3.92Å; M108-L139 HydrophobicContact CG-CD1 3.93Å; M108-L139 HydrophobicContact CG-CD2 4.49Å; M108-L139 HydrophobicContact CG-CG 4.48Å; M108-L139 HydrophobicContact SD-CD1 4.31Å; M108-L139 HydrophobicContact SD-CD2 3.86Å; M108-L139 HydrophobicContact SD-CG 4.23Å; M127-L139 CarbonylContact C-O 3.53Å; M127-L139 WeakPolarHBondContact CA-O 3.48Å; M127-L139 WeakPolarHBondContact CB-O 3.47Å; L128-L139 HydrophobicContact CB-CB 4.47Å; L128-L139 HydrophobicContact CB-CD1 4.41Å; L128-L139 HydrophobicContact CD2-CD1 4.38Å; L128-L139 PolarHBondContact N-O 3.12Å; L128-L139 PolarHBondContact O-N 2.96Å; V130-L139 HydrophobicContact CG2-CD1 3.9Å; L139-V142 HydrophobicContact CB-CG2 3.78Å; L139-R147 WeakPolarHBondContact CA-O 3.28Å; L139-R148 HydrophobicContact CD2-CB 4.11Å |
| 140 | F | 92.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 21% | 0.211 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -115.4 | 10.9 | -173.2 | 60.7 | -101.9 | 0 | 0 | 0 | 114.5 | M127 R147 I149 W184 K189 | M127-F140 HydrophobicContact CE-CB 4.15Å; M127-F140 HydrophobicContact CG-CB 4.3Å; M127-F140 HydrophobicContact SD-CB 4.37Å; F140-R147 HydrophobicContact CD2-CB 4.46Å; F140-R147 HydrophobicContact CE1-CB 4.23Å; F140-R147 HydrophobicContact CE2-CB 3.85Å; F140-R147 HydrophobicContact CZ-CB 3.74Å; F140-R147 HydrophobicContact CZ-CG 4.45Å; F140-R147 PolarHBondContact N-O 2.85Å; F140-I149 HydrophobicContact CD1-CG2 4.31Å; F140-I149 HydrophobicContact CE1-CB 4.37Å; F140-I149 HydrophobicContact CE1-CG2 4.47Å; F140-W184 HydrophobicContact CB-CH2 3.58Å; F140-W184 HydrophobicContact CB-CZ2 3.86Å; F140-W184 AromaticContact CD1-CH2 3.89Å; F140-W184 HydrophobicContact CD1-CH2 3.89Å; F140-W184 AromaticContact CG-CH2 3.84Å; F140-W184 HydrophobicContact CG-CH2 3.84Å; F140-W184 HydrophobicContact CG-CZ2 4.39Å; F140-K189 HydrophobicContact CD1-CB 4.44Å; F140-K189 HydrophobicContact CD2-CB 4.04Å; F140-K189 HydrophobicContact CD2-CD 3.96Å; F140-K189 HydrophobicContact CD2-CG 3.97Å; F140-K189 HydrophobicContact CE1-CB 4.19Å; F140-K189 HydrophobicContact CE2-CB 3.78Å; F140-K189 HydrophobicContact CE2-CD 4.35Å; F140-K189 HydrophobicContact CE2-CG 3.83Å; F140-K189 HydrophobicContact CG-CB 4.36Å; F140-K189 HydrophobicContact CG-CD 4.49Å; F140-K189 HydrophobicContact CZ-CB 3.85Å; F140-K189 HydrophobicContact CZ-CG 4.4Å |
| 141 | S | 86.4 | Confident | 91 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | trans | -141.5 | 27.2 | -167.8 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | R143 V144 D145 | S141-R143 PolarHBondContact O-N 2.85Å; S141-V144 PolarHBondContact O-N 3.18Å; S141-D145 CarbonylContact C-O 3.6Å; S141-D145 WeakPolarHBondContact CB-OD1 3.18Å; S141-D145 PolarHBondContact O-N 3.27Å; S141-D145 VanDerWaalsContact O-O 3.04Å; S141-D145 PolarHBondContact OG-OD1 3.3Å | ||
| 142 | V | 90.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.7 | -157.2 | -175 | 0 | 0 | 0 | 0 | 115 | V87 T105 C106 W121 D126 L128 L139 | V87-V142 HydrophobicContact CB-CG1 3.87Å; V87-V142 HydrophobicContact CG1-CG1 3.68Å; V87-V142 HydrophobicContact CG2-CG1 3.76Å; T105-V142 WeakPolarHBondContact CB-O 3.24Å; T105-V142 PolarHBondContact OG1-O 3.36Å; C106-V142 HydrophobicContact CB-CG1 4.05Å; W121-V142 HydrophobicContact CH2-CG1 3.89Å; W121-V142 HydrophobicContact CZ3-CB 4.49Å; W121-V142 HydrophobicContact CZ3-CG1 4.23Å; W121-V142 HydrophobicContact CZ3-CG2 4.39Å; D126-V142 WeakPolarHBondContact O-CB 3.48Å; D126-V142 VanDerWaalsContact O-CG2 3.32Å; D126-V142 WeakPolarHBondContact O-CG2 3.39Å; L128-V142 HydrophobicContact CB-CG2 4.24Å; L139-V142 HydrophobicContact CB-CG2 3.78Å |
| 143 | R | 87.8 | Confident | 90.4 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 23% | 0.226 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -13.5 | 174.9 | -63.5 | -170.4 | -175 | -87.1 | -4.4 | 114.7 | P74 L76 D126 S141 | P74-R143 PolarHBondContact O-NH1 3Å; P74-R143 PolarHBondContact O-NH2 2.87Å; P74-R143 VanDerWaalsContact O-NH2 3.15Å; L76-R143 HydrophobicContact CD1-CG 3.97Å; L76-R143 HydrophobicContact CD2-CG 4.31Å; D126-R143 HydrophobicContact CB-CG 4.35Å; D126-R143 IonicContact OD1-CZ 2.83Å; D126-R143 IonicContact OD1-NE 2.63Å; D126-R143 PolarHBondContact OD1-NE 3Å; D126-R143 IonicContact OD1-NH2 2.61Å; D126-R143 PolarHBondContact OD1-NH2 2.97Å; D126-R143 IonicContact OD2-CZ 2.86Å; D126-R143 IonicContact OD2-NE 2.84Å; D126-R143 PolarHBondContact OD2-NE 2.73Å; D126-R143 IonicContact OD2-NH2 3.18Å; D126-R143 PolarHBondContact OD2-NH2 3.15Å; S141-R143 PolarHBondContact O-N 2.85Å |
| 144 | V | 82.6 | Confident | 89.7 | Confident | 120 Ų | 120 | 61.2 Ų | 61.2 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | -49.2 | -166.6 | -175 | 0 | 0 | 0 | 0 | 112.2 | S141 | S141-V144 PolarHBondContact O-N 3.18Š|
| 145 | D | 80 | Confident | 88.6 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | trans | -156.8 | 171.4 | 178.5 | 63.7 | 20.5 | 0 | 0 | 0 | 113.9 | S141 R147 | S141-D145 CarbonylContact C-O 3.6Å; S141-D145 WeakPolarHBondContact CB-OD1 3.18Å; S141-D145 PolarHBondContact O-N 3.27Å; S141-D145 VanDerWaalsContact O-O 3.04Å; S141-D145 PolarHBondContact OG-OD1 3.3Å; D145-R147 PolarHBondContact O-N 2.79Å; D145-R147 VanDerWaalsContact O-N 3.08Å; D145-R147 WeakPolarHBondContact OD1-CB 3.46Å; D145-R147 WeakPolarHBondContact OD1-CD 3.33Å; D145-R147 WeakPolarHBondContact OD1-CG 3.49Å; D145-R147 PolarHBondContact OD1-N 2.86Å; D145-R147 IonicContact OD1-NE 2.68Å; D145-R147 PolarHBondContact OD1-NE 2.92Å; D145-R147 IonicContact OD2-CZ 2.87Å; D145-R147 VanDerWaalsContact OD2-CZ 3.28Å; D145-R147 IonicContact OD2-NE 3.68Å; D145-R147 PolarHBondContact OD2-NE 2.84Å; D145-R147 IonicContact OD2-NH2 2.66Å; D145-R147 PolarHBondContact OD2-NH2 3.17Å | ||
| 146 | N | 84.9 | Confident | 87.5 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | trans | -80.9 | 27.9 | -177.1 | -60.3 | -27 | 0 | 0 | 0 | 113.4 | C106 E107 R148 | C106-N146 WeakPolarHBondContact CA-OD1 3.12Å; C106-N146 PolarHBondContact SG-OD1 2.61Å; E107-N146 PolarHBondContact N-OD1 2.99Å; E107-N146 VanDerWaalsContact N-OD1 3.08Å; E107-N146 VanDerWaalsContact O-CG 3.24Å; E107-N146 PolarHBondContact O-ND2 2.75Å; E107-N146 PolarHBondContact O-OD1 3.48Å; N146-R148 PolarHBondContact O-N 3.47Å | ||
| 147 | R | 90.3 | Very high | 86.9 | Confident | 150 Ų | 150 | 62.7 Ų | 62.7 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | trans | -64.7 | 128.6 | 179.3 | -81.5 | 179.1 | -139.1 | -143 | -1.5 | 111.7 | L139 F140 D145 | L139-R147 WeakPolarHBondContact CA-O 3.28Å; F140-R147 HydrophobicContact CD2-CB 4.46Å; F140-R147 HydrophobicContact CE1-CB 4.23Å; F140-R147 HydrophobicContact CE2-CB 3.85Å; F140-R147 HydrophobicContact CZ-CB 3.74Å; F140-R147 HydrophobicContact CZ-CG 4.45Å; F140-R147 PolarHBondContact N-O 2.85Å; D145-R147 PolarHBondContact O-N 2.79Å; D145-R147 VanDerWaalsContact O-N 3.08Å; D145-R147 WeakPolarHBondContact OD1-CB 3.46Å; D145-R147 WeakPolarHBondContact OD1-CD 3.33Å; D145-R147 WeakPolarHBondContact OD1-CG 3.49Å; D145-R147 PolarHBondContact OD1-N 2.86Å; D145-R147 IonicContact OD1-NE 2.68Å; D145-R147 PolarHBondContact OD1-NE 2.92Å; D145-R147 IonicContact OD2-CZ 2.87Å; D145-R147 VanDerWaalsContact OD2-CZ 3.28Å; D145-R147 IonicContact OD2-NE 3.68Å; D145-R147 PolarHBondContact OD2-NE 2.84Å; D145-R147 IonicContact OD2-NH2 2.66Å; D145-R147 PolarHBondContact OD2-NH2 3.17Å | ||
| 148 | R | 92.2 | Very high | 86.7 | Confident | 116 Ų | 116 | 66.7 Ų | 66.7 | 44% | 0.438 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.6 | -178.4 | 64 | -176.2 | 178.3 | -170.6 | -0.6 | 112.5 | M108 S109 E110 V138 L139 N146 | M108-R148 HydrophobicContact CE-CB 4.21Å; M108-R148 PolarHBondContact SD-NH1 2.96Å; S109-R148 PolarHBondContact O-NH1 2.84Å; E110-R148 IonicContact OE1-NH1 2.82Å; E110-R148 PolarHBondContact OE1-NH1 2.82Å; V138-R148 CarbonylContact O-C 3.5Å; V138-R148 VanDerWaalsContact O-CA 3.23Å; V138-R148 WeakPolarHBondContact O-CA 3.46Å; L139-R148 HydrophobicContact CD2-CB 4.11Å; N146-R148 PolarHBondContact O-N 3.47Å |
| 149 | I | 94.8 | Very high | 86.6 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.8 | 162.4 | -172.8 | 60.9 | 0 | 0 | 0 | 108.9 | S137 V138 F140 W184 L191 | S137-I149 CarbonylContact C-O 3.54Å; S137-I149 WeakPolarHBondContact CA-O 3.47Å; V138-I149 HydrophobicContact CB-CG2 4.25Å; V138-I149 PolarHBondContact N-O 3.14Å; V138-I149 PolarHBondContact O-N 3.27Å; F140-I149 HydrophobicContact CD1-CG2 4.31Å; F140-I149 HydrophobicContact CE1-CB 4.37Å; F140-I149 HydrophobicContact CE1-CG2 4.47Å; I149-W184 HydrophobicContact CG2-CH2 4.5Å; I149-W184 HydrophobicContact CG2-CZ3 3.84Å; I149-L191 HydrophobicContact CG2-CB 4.18Å |
| 150 | K | 93.2 | Very high | 86.5 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 34% | 0.335 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 145.6 | 173.9 | -70.3 | -160.9 | 170.8 | -167.9 | 0 | 110.7 | E110 D135 T136 S137 | E110-K150 IonicContact OE1-NZ 3.67Å; E110-K150 IonicContact OE2-NZ 3.83Å; E110-K150 PolarHBondContact OE2-NZ 2.88Å; D135-K150 HydrophobicContact CB-CD 4.32Å; D135-K150 IonicContact OD2-NZ 3.17Å; D135-K150 PolarHBondContact OD2-NZ 2.86Å; T136-K150 WeakPolarHBondContact O-CA 3.5Å; S137-K150 WeakPolarHBondContact OG-CE 3.48Å |
| 151 | A | 92.6 | Very high | 86.7 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | trans | -70.5 | 136.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T136 I153 F182 L191 | T136-A151 HydrophobicContact CG2-CB 4.5Å; T136-A151 PolarHBondContact O-N 3.04Å; A151-I153 VanDerWaalsContact C-N 3.29Å; A151-I153 HydrophobicContact CB-CD1 4.24Å; A151-I153 HydrophobicContact CB-CG1 3.91Å; A151-I153 PolarHBondContact O-N 2.93Å; A151-F182 HydrophobicContact CB-CD1 4.3Å; A151-F182 HydrophobicContact CB-CD2 4.5Å; A151-F182 HydrophobicContact CB-CE1 4.06Å; A151-F182 HydrophobicContact CB-CE2 4.27Å; A151-F182 HydrophobicContact CB-CZ 4.05Å; A151-L191 HydrophobicContact CB-CD2 3.77Å | ||
| 152 | D | 89.5 | Confident | 87.2 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | trans | -79 | 75.8 | 176.6 | -177.1 | 15.3 | 0 | 0 | 0 | 110.4 | K154 | D152-K154 PolarHBondContact O-N 2.62Å; D152-K154 VanDerWaalsContact O-N 3.14Å; D152-K154 WeakPolarHBondContact OD1-CE 3.47Å; D152-K154 IonicContact OD1-NZ 2.69Å; D152-K154 VanDerWaalsContact OD2-CE 3.24Å; D152-K154 WeakPolarHBondContact OD2-CE 3.46Å; D152-K154 IonicContact OD2-NZ 3.16Å; D152-K154 PolarHBondContact OD2-NZ 2.88Å | ||
| 153 | I | 87.6 | Confident | 87.5 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | trans | -81.5 | 92.8 | -174.7 | -60.4 | 176.7 | 0 | 0 | 0 | 110 | A151 G155 I159 I175 F182 | A151-I153 VanDerWaalsContact C-N 3.29Å; A151-I153 HydrophobicContact CB-CD1 4.24Å; A151-I153 HydrophobicContact CB-CG1 3.91Å; A151-I153 PolarHBondContact O-N 2.93Å; I153-G155 PolarHBondContact O-N 2.75Å; I153-I159 HydrophobicContact CD1-CD1 3.54Å; I153-I159 HydrophobicContact CD1-CG1 4.43Å; I153-I175 HydrophobicContact CG2-CD1 3.54Å; I153-F182 HydrophobicContact CG1-CE2 4.46Å; I153-F182 HydrophobicContact CG1-CZ 3.9Å | ||
| 154 | K | 76.3 | Confident | 87.9 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 67% | 0.665 | 34% | 0.343 | S | S | * | . | trans | -87.7 | 92 | 175.2 | -72.3 | 166.2 | 174.8 | 151.4 | 0 | 110.7 | D152 | D152-K154 PolarHBondContact O-N 2.62Å; D152-K154 VanDerWaalsContact O-N 3.14Å; D152-K154 WeakPolarHBondContact OD1-CE 3.47Å; D152-K154 IonicContact OD1-NZ 2.69Å; D152-K154 VanDerWaalsContact OD2-CE 3.24Å; D152-K154 WeakPolarHBondContact OD2-CE 3.46Å; D152-K154 IonicContact OD2-NZ 3.16Å; D152-K154 PolarHBondContact OD2-NZ 2.88Å | ||
| 155 | G | 67.6 | Low | 88.5 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 172.2 | 154.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I153 G157 | I153-G155 PolarHBondContact O-N 2.75Å; G155-G157 PolarHBondContact O-N 2.9Å |
| 156 | S | 67.9 | Low | 89.2 | Confident | 136 Ų | 136 | 57.7 Ų | 57.7 | 95% | 0.951 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -89.3 | 90.1 | 172.6 | 53 | 0 | 0 | 0 | 0 | 110.3 | ||
| 157 | G | 81.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | trans | -157.6 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G155 | G155-G157 PolarHBondContact O-N 2.9Š| ||
| 158 | L | 91.1 | Very high | 89.7 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 44% | 0.44 | 27% | 0.271 | S | S | . | . | trans | -104.7 | 139.5 | 171.6 | -60.7 | -177.1 | 0 | 0 | 0 | 109.5 | K133 H160 I175 G176 | K133-L158 HydrophobicContact CB-CD2 4.43Å; K133-L158 WeakPolarHBondContact O-CA 3.44Å; L158-H160 PolarHBondContact O-NE2 2.83Å; L158-I175 WeakPolarHBondContact O-CA 3.4Å; L158-I175 WeakPolarHBondContact O-CG2 3.45Å; L158-G176 PolarHBondContact O-N 3.46Å | ||
| 159 | I | 94.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 140.5 | 174.7 | -51.6 | 172.3 | 0 | 0 | 0 | 109.4 | L115 L131 K133 R134 I153 V173 A174 I175 | L115-I159 HydrophobicContact CD1-CB 3.96Å; L115-I159 HydrophobicContact CD1-CG2 3.68Å; L115-I159 WeakPolarHBondContact CD1-O 3.22Å; L115-I159 WeakPolarHBondContact CD2-O 3.48Å; L131-I159 HydrophobicContact CD2-CG2 3.92Å; K133-I159 PolarHBondContact O-N 2.81Å; K133-I159 VanDerWaalsContact O-N 3.13Å; R134-I159 VanDerWaalsContact C-CD1 3.5Å; R134-I159 WeakPolarHBondContact O-CD1 3.35Å; I153-I159 HydrophobicContact CD1-CD1 3.54Å; I153-I159 HydrophobicContact CD1-CG1 4.43Å; I159-V173 HydrophobicContact CD1-CG1 4.41Å; I159-V173 HydrophobicContact CG1-CG1 4.35Å; I159-V173 HydrophobicContact CG2-CG1 3.55Å; I159-A174 WeakPolarHBondContact CA-O 3.42Å; I159-I175 HydrophobicContact CG1-CD1 4.15Å; I159-I175 HydrophobicContact CG1-CG1 4.16Å |
| 160 | H | 92.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 44 Ų | 44 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -45.9 | 179.9 | -57.4 | -51.6 | 0 | 0 | 0 | 113.4 | L158 A174 G176 Y205 | L158-H160 PolarHBondContact O-NE2 2.83Å; H160-A174 PolarHBondContact N-O 2.75Å; H160-G176 PolarHBondContact CD2-N 3.33Å; H160-G176 PolarHBondContact NE2-N 3.16Å; H160-Y205 AromaticContact CE1-CE2 3.69Å; H160-Y205 AromaticContact CE1-CZ 3.38Å; H160-Y205 PolarHBondContact CE1-OH 2.88Å; H160-Y205 AromaticContact ND1-CZ 3.98Å; H160-Y205 AromaticContact NE2-CE2 3.31Å; H160-Y205 VanDerWaalsContact NE2-CE2 3.31Å; H160-Y205 WeakPolarHBondContact NE2-CE2 3.33Å; H160-Y205 AromaticContact NE2-CZ 3.41Å |
| 161 | C | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 169.4 | -178 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | Q117 A174 | Q117-C161 HydrophobicContact CB-CB 3.88Å; Q117-C161 HydrophobicContact CG-CB 4.23Å; C161-A174 PolarHBondContact O-N 2.85Å; C161-A174 VanDerWaalsContact SG-CB 3.59Å |
| 162 | A | 97.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 161.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V120 L131 L171 V172 V173 | V120-A162 HydrophobicContact CG2-CB 4.33Å; V120-A162 WeakPolarHBondContact CG2-O 3.25Å; L131-A162 HydrophobicContact CD1-CB 4.05Å; L131-A162 HydrophobicContact CD2-CB 3.39Å; L131-A162 HydrophobicContact CG-CB 4.37Å; A162-L171 HydrophobicContact CB-CD1 4.16Å; A162-V172 CarbonylContact C-O 3.48Å; A162-V172 WeakPolarHBondContact CA-O 3.02Å; A162-V172 WeakPolarHBondContact CB-O 3.49Å; A162-V173 HydrophobicContact CB-CG2 4.17Å |
| 163 | C | 96.9 | Very high | 90.6 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 146.8 | 167.8 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | V172 I209 V217 | C163-V172 PolarHBondContact N-O 3.45Å; C163-V172 PolarHBondContact O-N 3.07Å; C163-I209 HydrophobicContact CB-CD1 4.26Å; C163-I209 HydrophobicContact CB-CG1 3.97Å; C163-I209 VanDerWaalsContact SG-CD1 3.53Å; C163-V217 VanDerWaalsContact SG-CG1 3.52Å |
| 164 | W | 97.1 | Very high | 91 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 140 | 161.7 | -69 | 97.2 | 0 | 0 | 0 | 109.3 | V120 W121 H122 P123 M127 V138 R170 L171 W184 A211 | V120-W164 PolarHBondContact O-NE1 2.83Å; W121-W164 VanDerWaalsContact O-CD1 3.31Å; H122-W164 HydrophobicContact CB-CD2 4.35Å; H122-W164 HydrophobicContact CB-CG 4.46Å; H122-W164 HydrophobicContact CB-CZ2 4.5Å; H122-W164 AromaticContact CD2-CD2 3.76Å; H122-W164 AromaticContact CD2-CE3 3.65Å; H122-W164 AromaticContact CD2-CZ3 3.85Å; P123-W164 HydrophobicContact CG-CB 4.43Å; M127-W164 HydrophobicContact CE-CH2 4.24Å; M127-W164 HydrophobicContact CE-CZ2 4.36Å; V138-W164 HydrophobicContact CG1-CH2 4.44Å; V138-W164 HydrophobicContact CG1-CZ2 4.04Å; V138-W164 HydrophobicContact CG2-CH2 4.42Å; V138-W164 HydrophobicContact CG2-CZ2 4.01Å; W164-R170 WeakPolarHBondContact CA-O 3.4Å; W164-L171 HydrophobicContact CD2-CB 4.13Å; W164-L171 HydrophobicContact CD2-CD1 3.99Å; W164-L171 HydrophobicContact CE3-CB 3.84Å; W164-L171 HydrophobicContact CG-CD1 4.18Å; W164-L171 HydrophobicContact CH2-CB 3.98Å; W164-L171 HydrophobicContact CH2-CD2 4.46Å; W164-L171 HydrophobicContact CZ2-CB 4.25Å; W164-L171 HydrophobicContact CZ2-CD1 4.41Å; W164-L171 HydrophobicContact CZ2-CD2 4.17Å; W164-L171 HydrophobicContact CZ3-CB 3.76Å; W164-W184 HydrophobicContact CH2-CB 4.21Å; W164-W184 HydrophobicContact CZ3-CB 3.93Å; W164-A211 WeakPolarHBondContact O-CB 3.45Å |
| 165 | T | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -59.5 | 149.1 | 165.5 | 47 | 0 | 0 | 0 | 0 | 110.4 | D167 G168 R170 V172 E214 V217 | T165-D167 VanDerWaalsContact CB-OD1 3.26Å; T165-D167 WeakPolarHBondContact CB-OD1 3.42Å; T165-D167 PolarHBondContact O-N 3.08Å; T165-D167 VanDerWaalsContact O-N 3.11Å; T165-D167 PolarHBondContact OG1-OD1 2.65Å; T165-G168 PolarHBondContact O-N 3.01Å; T165-R170 HydrophobicContact CG2-CB 4Å; T165-R170 HydrophobicContact CG2-CG 4.28Å; T165-R170 PolarHBondContact N-O 3.03Å; T165-R170 WeakPolarHBondContact OG1-CB 3.34Å; T165-R170 PolarHBondContact OG1-N 2.84Å; T165-R170 PolarHBondContact OG1-O 3.32Å; T165-R170 VanDerWaalsContact OG1-O 3.11Å; T165-V172 HydrophobicContact CG2-CG2 4.33Å; T165-E214 WeakPolarHBondContact CB-O 3.43Å; T165-V217 HydrophobicContact CG2-CG1 4.34Å | ||
| 166 | K | 93.6 | Very high | 93 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 24% | 0.243 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.4 | -176.2 | -63.9 | -65.5 | -159.2 | -151.3 | 0 | 112 | K124 G168 E210 A211 T212 G213 E214 | K124-K166 WeakPolarHBondContact CE-O 3.41Å; K166-G168 PolarHBondContact O-N 3.13Å; K166-E210 IonicContact NZ-OE1 2.93Å; K166-A211 HydrophobicContact CD-CB 3.84Å; K166-A211 WeakPolarHBondContact CE-O 3.35Å; K166-A211 HydrophobicContact CG-CB 4.07Å; K166-A211 PolarHBondContact NZ-O 3.15Å; K166-T212 VanDerWaalsContact CE-O 3.29Å; K166-T212 WeakPolarHBondContact CE-O 3.34Å; K166-T212 WeakPolarHBondContact CG-O 3.41Å; K166-G213 WeakPolarHBondContact CG-O 3.39Å; K166-E214 PolarHBondContact N-O 3.07Å |
| 167 | D | 92.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 21 Ų | 21 | 20% | 0.203 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.1 | 177.3 | 72.5 | -9.6 | 0 | 0 | 0 | 113.9 | K124 T165 T169 E214 | K124-D167 WeakPolarHBondContact CD-O 3.26Å; K124-D167 WeakPolarHBondContact CE-O 3.36Å; K124-D167 VanDerWaalsContact NZ-CA 3.32Å; K124-D167 PolarHBondContact NZ-O 2.9Å; T165-D167 VanDerWaalsContact CB-OD1 3.26Å; T165-D167 WeakPolarHBondContact CB-OD1 3.42Å; T165-D167 PolarHBondContact O-N 3.08Å; T165-D167 VanDerWaalsContact O-N 3.11Å; T165-D167 PolarHBondContact OG1-OD1 2.65Å; D167-T169 HydrophobicContact CB-CG2 4.38Å; D167-T169 VanDerWaalsContact CG-OG1 3.24Å; D167-T169 PolarHBondContact OD1-N 3.01Å; D167-T169 PolarHBondContact OD1-OG1 3.39Å; D167-T169 WeakPolarHBondContact OD2-CB 3.38Å; D167-T169 WeakPolarHBondContact OD2-CG2 3.26Å; D167-T169 PolarHBondContact OD2-OG1 2.78Å; D167-E214 VanDerWaalsContact CA-OE2 3.31Å; D167-E214 WeakPolarHBondContact CA-OE2 3.35Å; D167-E214 HydrophobicContact CB-CB 4.2Å; D167-E214 VanDerWaalsContact CB-O 3.31Å; D167-E214 WeakPolarHBondContact CB-O 3.41Å; D167-E214 WeakPolarHBondContact CB-OE2 3.38Å; D167-E214 VanDerWaalsContact CG-O 3.23Å; D167-E214 PolarHBondContact N-O 3.39Å |
| 168 | G | 93.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 88 | -7.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H122 T165 K166 R170 | H122-G168 VanDerWaalsContact NE2-CA 3.3Å; H122-G168 WeakPolarHBondContact NE2-CA 3.37Å; H122-G168 PolarHBondContact NE2-O 3.23Å; T165-G168 PolarHBondContact O-N 3.01Å; K166-G168 PolarHBondContact O-N 3.13Å; G168-R170 VanDerWaalsContact C-N 3.34Å; G168-R170 PolarHBondContact O-N 2.89Å |
| 169 | T | 93.5 | Very high | 95 | Very high | 66 Ų | 66 | 15.8 Ų | 15.8 | 41% | 0.405 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -75 | -23.6 | -170.7 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | D167 I183 W184 | D167-T169 HydrophobicContact CB-CG2 4.38Å; D167-T169 VanDerWaalsContact CG-OG1 3.24Å; D167-T169 PolarHBondContact OD1-N 3.01Å; D167-T169 PolarHBondContact OD1-OG1 3.39Å; D167-T169 WeakPolarHBondContact OD2-CB 3.38Å; D167-T169 WeakPolarHBondContact OD2-CG2 3.26Å; D167-T169 PolarHBondContact OD2-OG1 2.78Å; T169-I183 WeakPolarHBondContact O-CA 3.21Å; T169-W184 PolarHBondContact O-N 2.82Å |
| 170 | R | 94.9 | Very high | 95 | Very high | 16 Ų | 16 | 16.4 Ų | 16.4 | 6% | 0.06 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 125.2 | -164.3 | 178.6 | -169.9 | -62.4 | -95.8 | 8.3 | 112.2 | W164 T165 G168 V172 S181 F182 I183 C194 | W164-R170 WeakPolarHBondContact CA-O 3.4Å; T165-R170 HydrophobicContact CG2-CB 4Å; T165-R170 HydrophobicContact CG2-CG 4.28Å; T165-R170 PolarHBondContact N-O 3.03Å; T165-R170 WeakPolarHBondContact OG1-CB 3.34Å; T165-R170 PolarHBondContact OG1-N 2.84Å; T165-R170 PolarHBondContact OG1-O 3.32Å; T165-R170 VanDerWaalsContact OG1-O 3.11Å; G168-R170 VanDerWaalsContact C-N 3.34Å; G168-R170 PolarHBondContact O-N 2.89Å; R170-V172 HydrophobicContact CG-CG2 4.06Å; R170-S181 WeakPolarHBondContact CD-OG 3.35Å; R170-S181 WeakPolarHBondContact CG-OG 3.15Å; R170-S181 PolarHBondContact NH1-OG 2.85Å; R170-F182 CarbonylContact C-O 3.57Å; R170-F182 VanDerWaalsContact CA-O 3.24Å; R170-F182 WeakPolarHBondContact CA-O 3.41Å; R170-I183 HydrophobicContact CB-CD1 4.09Å; R170-I183 HydrophobicContact CG-CD1 4.13Å; R170-C194 PolarHBondContact NH1-SG 3.2Å |
| 171 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.5 | 166 | -178.3 | 57.5 | 0 | 0 | 0 | 108.8 | A129 T136 V138 A162 W164 V173 F182 L191 | A129-L171 HydrophobicContact CB-CD1 4.33Å; A129-L171 HydrophobicContact CB-CD2 4.13Å; T136-L171 HydrophobicContact CG2-CD2 3.88Å; V138-L171 HydrophobicContact CG2-CD2 3.78Å; A162-L171 HydrophobicContact CB-CD1 4.16Å; W164-L171 HydrophobicContact CD2-CB 4.13Å; W164-L171 HydrophobicContact CD2-CD1 3.99Å; W164-L171 HydrophobicContact CE3-CB 3.84Å; W164-L171 HydrophobicContact CG-CD1 4.18Å; W164-L171 HydrophobicContact CH2-CB 3.98Å; W164-L171 HydrophobicContact CH2-CD2 4.46Å; W164-L171 HydrophobicContact CZ2-CB 4.25Å; W164-L171 HydrophobicContact CZ2-CD1 4.41Å; W164-L171 HydrophobicContact CZ2-CD2 4.17Å; W164-L171 HydrophobicContact CZ3-CB 3.76Å; L171-V173 HydrophobicContact CD2-CG2 4.41Å; L171-V173 HydrophobicContact CG-CG2 4.07Å; L171-F182 PolarHBondContact N-O 3.23Å; L171-F182 PolarHBondContact O-N 3.35Å; L171-L191 HydrophobicContact CB-CD1 4.38Å; L171-L191 HydrophobicContact CD2-CD2 4.19Å |
| 172 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.3 | 175.2 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | A162 C163 T165 R170 L179 H180 I209 V217 Y323 | A162-V172 CarbonylContact C-O 3.48Å; A162-V172 WeakPolarHBondContact CA-O 3.02Å; A162-V172 WeakPolarHBondContact CB-O 3.49Å; C163-V172 PolarHBondContact N-O 3.45Å; C163-V172 PolarHBondContact O-N 3.07Å; T165-V172 HydrophobicContact CG2-CG2 4.33Å; R170-V172 HydrophobicContact CG-CG2 4.06Å; V172-L179 HydrophobicContact CG1-CB 3.96Å; V172-L179 HydrophobicContact CG1-CD2 3.82Å; V172-L179 HydrophobicContact CG1-CG 4.32Å; V172-H180 WeakPolarHBondContact CA-O 3.49Å; V172-I209 HydrophobicContact CB-CD1 4.39Å; V172-I209 HydrophobicContact CG1-CD1 4.11Å; V172-V217 HydrophobicContact CG2-CG1 4.29Å; V172-Y323 HydrophobicContact CG1-CE2 4.47Å; V172-Y323 WeakPolarHBondContact CG1-OH 3.44Å; V172-Y323 HydrophobicContact CG2-CE2 3.83Å |
| 173 | V | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.4 | -176.7 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | L131 T136 I159 A162 L171 I175 H180 F182 | L131-V173 HydrophobicContact CD2-CG1 4.28Å; T136-V173 HydrophobicContact CG2-CG2 4.35Å; I159-V173 HydrophobicContact CD1-CG1 4.41Å; I159-V173 HydrophobicContact CG1-CG1 4.35Å; I159-V173 HydrophobicContact CG2-CG1 3.55Å; A162-V173 HydrophobicContact CB-CG2 4.17Å; L171-V173 HydrophobicContact CD2-CG2 4.41Å; L171-V173 HydrophobicContact CG-CG2 4.07Å; V173-I175 HydrophobicContact CG1-CD1 4.37Å; V173-I175 HydrophobicContact CG1-CG1 4.12Å; V173-H180 PolarHBondContact N-O 2.82Å; V173-H180 PolarHBondContact O-N 2.92Å; V173-F182 HydrophobicContact CB-CE2 4.36Å; V173-F182 HydrophobicContact CG2-CD2 4.11Å; V173-F182 HydrophobicContact CG2-CE2 4.07Å |
| 174 | A | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I159 H160 C161 L179 I206 I209 | I159-A174 WeakPolarHBondContact CA-O 3.42Å; H160-A174 PolarHBondContact N-O 2.75Å; C161-A174 PolarHBondContact O-N 2.85Å; C161-A174 VanDerWaalsContact SG-CB 3.59Å; A174-L179 HydrophobicContact CB-CD2 4.32Å; A174-I206 HydrophobicContact CB-CB 3.98Å; A174-I206 HydrophobicContact CB-CD1 3.96Å; A174-I206 HydrophobicContact CB-CG2 3.62Å; A174-I209 HydrophobicContact CB-CD1 4.43Å; A174-I209 HydrophobicContact CB-CG2 4.44Å |
| 175 | I | 94.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 8% | 0.082 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 108.6 | -178.6 | -52 | -169.7 | 0 | 0 | 0 | 108.1 | I153 L158 I159 V173 S177 A178 H180 | I153-I175 HydrophobicContact CG2-CD1 3.54Å; L158-I175 WeakPolarHBondContact O-CA 3.4Å; L158-I175 WeakPolarHBondContact O-CG2 3.45Å; I159-I175 HydrophobicContact CG1-CD1 4.15Å; I159-I175 HydrophobicContact CG1-CG1 4.16Å; V173-I175 HydrophobicContact CG1-CD1 4.37Å; V173-I175 HydrophobicContact CG1-CG1 4.12Å; I175-S177 PolarHBondContact O-N 3.04Å; I175-A178 PolarHBondContact N-O 3.36Å; I175-A178 PolarHBondContact O-N 3.14Å; I175-H180 HydrophobicContact CD1-CB 4.29Å |
| 176 | G | 91.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 23.4 Ų | 23.4 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -118.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L158 H160 I206 | L158-G176 PolarHBondContact O-N 3.46Å; H160-G176 PolarHBondContact CD2-N 3.33Å; H160-G176 PolarHBondContact NE2-N 3.16Å; G176-I206 PolarHBondContact O-N 3.34Å |
| 177 | S | 91.9 | Very high | 94.4 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 30% | 0.301 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -2.9 | 174.5 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | I175 D201 V202 G204 | I175-S177 PolarHBondContact O-N 3.04Å; S177-D201 VanDerWaalsContact CB-OD1 3.23Å; S177-D201 WeakPolarHBondContact CB-OD1 3.4Å; S177-D201 PolarHBondContact OG-OD1 3.34Å; S177-V202 WeakPolarHBondContact O-CB 3.37Å; S177-V202 PolarHBondContact O-N 3.44Å; S177-G204 VanDerWaalsContact CA-O 3.27Å; S177-G204 WeakPolarHBondContact CA-O 3.49Å; S177-G204 VanDerWaalsContact CB-O 3.24Å; S177-G204 WeakPolarHBondContact CB-O 3.49Å |
| 178 | A | 94.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I175 I199 F200 | I175-A178 PolarHBondContact N-O 3.36Å; I175-A178 PolarHBondContact O-N 3.14Å; A178-I199 HydrophobicContact CB-CG2 3.83Å; A178-F200 CarbonylContact C-O 3.53Å; A178-F200 WeakPolarHBondContact CA-O 3.07Å |
| 179 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 109.3 | 171.3 | -61.5 | 169.9 | 0 | 0 | 0 | 109.1 | V172 A174 I199 F200 V202 I206 I209 V217 V219 V321 Y323 | V172-L179 HydrophobicContact CG1-CB 3.96Å; V172-L179 HydrophobicContact CG1-CD2 3.82Å; V172-L179 HydrophobicContact CG1-CG 4.32Å; A174-L179 HydrophobicContact CB-CD2 4.32Å; L179-I199 WeakPolarHBondContact O-CA 3.07Å; L179-F200 HydrophobicContact CD1-CD1 4.43Å; L179-F200 PolarHBondContact N-O 3Å; L179-F200 PolarHBondContact O-N 2.9Å; L179-V202 HydrophobicContact CD1-CG2 3.76Å; L179-V202 HydrophobicContact CG-CG2 3.84Å; L179-I206 HydrophobicContact CD2-CD1 3.71Å; L179-I206 HydrophobicContact CG-CD1 4.06Å; L179-I209 HydrophobicContact CD2-CD1 4.34Å; L179-I209 HydrophobicContact CD2-CG2 4.2Å; L179-V217 HydrophobicContact CD1-CG2 4.46Å; L179-V219 HydrophobicContact CD1-CG2 3.81Å; L179-V219 HydrophobicContact CD2-CG2 4.15Å; L179-V321 HydrophobicContact CD1-CB 4.04Å; L179-V321 HydrophobicContact CD1-CG1 4.04Å; L179-V321 HydrophobicContact CD1-CG2 3.89Å; L179-Y323 VanDerWaalsContact CB-OH 3.29Å; L179-Y323 WeakPolarHBondContact CB-OH 3.43Å; L179-Y323 WeakPolarHBondContact CD1-OH 3.44Å |
| 180 | H | 95.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.1 | 170.4 | -71.9 | -119.1 | 0 | 0 | 0 | 109.3 | V172 V173 I175 F182 P198 I199 | V172-H180 WeakPolarHBondContact CA-O 3.49Å; V173-H180 PolarHBondContact N-O 2.82Å; V173-H180 PolarHBondContact O-N 2.92Å; I175-H180 HydrophobicContact CD1-CB 4.29Å; H180-F182 HydrophobicContact CB-CE2 3.85Å; H180-F182 HydrophobicContact CB-CZ 4.32Å; H180-P198 CarbonylContact C-O 3.58Å; H180-P198 WeakPolarHBondContact CA-O 3.27Å; H180-I199 VanDerWaalsContact CE1-CD1 3.48Å; H180-I199 WeakPolarHBondContact CE1-CD1 3.08Å |
| 181 | S | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122 | -168 | -158.5 | 0 | 0 | 0 | 0 | 112.2 | R170 C194 P198 Y323 | R170-S181 WeakPolarHBondContact CD-OG 3.35Å; R170-S181 WeakPolarHBondContact CG-OG 3.15Å; R170-S181 PolarHBondContact NH1-OG 2.85Å; S181-C194 WeakPolarHBondContact O-CB 3.4Å; S181-C194 PolarHBondContact O-N 2.89Å; S181-P198 PolarHBondContact N-O 2.65Å; S181-Y323 WeakPolarHBondContact OG-CE1 3.47Å |
| 182 | F | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136 | -177.1 | -56.6 | -90.2 | 0 | 0 | 0 | 110.6 | A151 I153 R170 L171 V173 H180 L191 V192 A193 | A151-F182 HydrophobicContact CB-CD1 4.3Å; A151-F182 HydrophobicContact CB-CD2 4.5Å; A151-F182 HydrophobicContact CB-CE1 4.06Å; A151-F182 HydrophobicContact CB-CE2 4.27Å; A151-F182 HydrophobicContact CB-CZ 4.05Å; I153-F182 HydrophobicContact CG1-CE2 4.46Å; I153-F182 HydrophobicContact CG1-CZ 3.9Å; R170-F182 CarbonylContact C-O 3.57Å; R170-F182 VanDerWaalsContact CA-O 3.24Å; R170-F182 WeakPolarHBondContact CA-O 3.41Å; L171-F182 PolarHBondContact N-O 3.23Å; L171-F182 PolarHBondContact O-N 3.35Å; V173-F182 HydrophobicContact CB-CE2 4.36Å; V173-F182 HydrophobicContact CG2-CD2 4.11Å; V173-F182 HydrophobicContact CG2-CE2 4.07Å; H180-F182 HydrophobicContact CB-CE2 3.85Å; H180-F182 HydrophobicContact CB-CZ 4.32Å; F182-L191 HydrophobicContact CB-CD1 3.59Å; F182-L191 HydrophobicContact CB-CD2 4.39Å; F182-L191 HydrophobicContact CB-CG 3.79Å; F182-L191 HydrophobicContact CG-CG 4.37Å; F182-V192 CarbonylContact C-O 3.49Å; F182-V192 WeakPolarHBondContact CA-O 3.4Å; F182-A193 HydrophobicContact CD1-CB 4.15Å; F182-A193 HydrophobicContact CE1-CB 4.17Å |
| 183 | I | 95.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134 | 176.5 | -52.6 | -57 | 0 | 0 | 0 | 109.1 | T169 R170 V192 C194 | T169-I183 WeakPolarHBondContact O-CA 3.21Å; R170-I183 HydrophobicContact CB-CD1 4.09Å; R170-I183 HydrophobicContact CG-CD1 4.13Å; I183-V192 PolarHBondContact N-O 2.93Å; I183-V192 PolarHBondContact O-N 2.85Å; I183-C194 HydrophobicContact CD1-CB 4.35Å; I183-C194 HydrophobicContact CG1-CB 4.26Å |
| 184 | W | 95.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.2 | 171.5 | 178.5 | -116.2 | 0 | 0 | 0 | 111 | M127 V138 F140 I149 W164 T169 D186 K189 S190 L191 | M127-W184 HydrophobicContact CE-CD2 3.71Å; M127-W184 HydrophobicContact CE-CE3 4.05Å; M127-W184 HydrophobicContact CE-CG 4.3Å; M127-W184 HydrophobicContact CE-CH2 3.86Å; M127-W184 HydrophobicContact CE-CZ2 3.48Å; M127-W184 VanDerWaalsContact CE-CZ2 3.48Å; M127-W184 HydrophobicContact CE-CZ3 4.12Å; M127-W184 HydrophobicContact SD-CZ2 3.89Å; V138-W184 HydrophobicContact CG1-CZ3 4.32Å; F140-W184 HydrophobicContact CB-CH2 3.58Å; F140-W184 HydrophobicContact CB-CZ2 3.86Å; F140-W184 AromaticContact CD1-CH2 3.89Å; F140-W184 HydrophobicContact CD1-CH2 3.89Å; F140-W184 AromaticContact CG-CH2 3.84Å; F140-W184 HydrophobicContact CG-CH2 3.84Å; F140-W184 HydrophobicContact CG-CZ2 4.39Å; I149-W184 HydrophobicContact CG2-CH2 4.5Å; I149-W184 HydrophobicContact CG2-CZ3 3.84Å; W164-W184 HydrophobicContact CH2-CB 4.21Å; W164-W184 HydrophobicContact CZ3-CB 3.93Å; T169-W184 PolarHBondContact O-N 2.82Å; W184-D186 PolarHBondContact NE1-OD1 2.83Å; W184-K189 HydrophobicContact CH2-CB 4.02Å; W184-K189 HydrophobicContact CH2-CD 4.23Å; W184-K189 HydrophobicContact CZ2-CB 4.32Å; W184-K189 HydrophobicContact CZ2-CD 3.71Å; W184-S190 VanDerWaalsContact CE3-O 3.32Å; W184-L191 HydrophobicContact CE3-CB 4.38Å; W184-L191 HydrophobicContact CE3-CD1 4.44Å |
| 185 | N | 93.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 100.2 | 169.9 | -177.6 | -18 | 0 | 0 | 0 | 109.5 | I187 Q188 K189 S190 | N185-I187 VanDerWaalsContact C-N 3.27Å; N185-I187 PolarHBondContact O-N 3.24Å; N185-I187 PolarHBondContact OD1-N 3.03Å; N185-I187 VanDerWaalsContact OD1-N 3.11Å; N185-Q188 HydrophobicContact CB-CB 4.35Å; N185-Q188 WeakPolarHBondContact ND2-CG 3.28Å; N185-Q188 PolarHBondContact ND2-OE1 3.03Å; N185-Q188 VanDerWaalsContact ND2-OE1 3.07Å; N185-Q188 PolarHBondContact O-N 2.88Å; N185-Q188 PolarHBondContact OD1-N 3.35Å; N185-K189 WeakPolarHBondContact O-CA 3.43Å; N185-K189 PolarHBondContact O-N 3.39Å; N185-S190 PolarHBondContact N-O 3.07Å; N185-S190 PolarHBondContact O-N 3.28Å |
| 186 | D | 89.3 | Confident | 92.6 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.8 | -175.6 | -162.5 | 65.8 | 0 | 0 | 0 | 114.1 | W184 K189 | W184-D186 PolarHBondContact NE1-OD1 2.83Å; D186-K189 VanDerWaalsContact O-CD 3.26Å; D186-K189 WeakPolarHBondContact O-CD 2.61Å; D186-K189 VanDerWaalsContact O-CE 3.22Å; D186-K189 WeakPolarHBondContact O-CE 2.7Å; D186-K189 PolarHBondContact O-NZ 3.1Å; D186-K189 IonicContact OD1-NZ 2.71Å; D186-K189 PolarHBondContact OD1-NZ 3.28Å; D186-K189 IonicContact OD2-NZ 2.94Å; D186-K189 PolarHBondContact OD2-NZ 3.05Å |
| 187 | I | 91.2 | Very high | 92.3 | Very high | 163 Ų | 163 | 50.8 Ų | 50.8 | 84% | 0.836 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -40.8 | 177 | -57.8 | 174.6 | 0 | 0 | 0 | 110.3 | N185 | N185-I187 VanDerWaalsContact C-N 3.27Å; N185-I187 PolarHBondContact O-N 3.24Å; N185-I187 PolarHBondContact OD1-N 3.03Å; N185-I187 VanDerWaalsContact OD1-N 3.11Å |
| 188 | Q | 91.4 | Very high | 92.2 | Very high | 136 Ų | 136 | 51.5 Ų | 51.5 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.3 | 180 | -67.8 | 179.1 | -9 | 0 | 0 | 113.6 | N185 S190 | N185-Q188 HydrophobicContact CB-CB 4.35Å; N185-Q188 WeakPolarHBondContact ND2-CG 3.28Å; N185-Q188 PolarHBondContact ND2-OE1 3.03Å; N185-Q188 VanDerWaalsContact ND2-OE1 3.07Å; N185-Q188 PolarHBondContact O-N 2.88Å; N185-Q188 PolarHBondContact OD1-N 3.35Å; Q188-S190 WeakPolarHBondContact CB-OG 3.07Å; Q188-S190 PolarHBondContact O-N 3.24Å; Q188-S190 PolarHBondContact OE1-OG 3.13Å |
| 189 | K | 92.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 38.9 | -166.6 | -55.6 | -59.3 | -177.7 | -151 | 0 | 112.5 | F140 W184 N185 D186 | F140-K189 HydrophobicContact CD1-CB 4.44Å; F140-K189 HydrophobicContact CD2-CB 4.04Å; F140-K189 HydrophobicContact CD2-CD 3.96Å; F140-K189 HydrophobicContact CD2-CG 3.97Å; F140-K189 HydrophobicContact CE1-CB 4.19Å; F140-K189 HydrophobicContact CE2-CB 3.78Å; F140-K189 HydrophobicContact CE2-CD 4.35Å; F140-K189 HydrophobicContact CE2-CG 3.83Å; F140-K189 HydrophobicContact CG-CB 4.36Å; F140-K189 HydrophobicContact CG-CD 4.49Å; F140-K189 HydrophobicContact CZ-CB 3.85Å; F140-K189 HydrophobicContact CZ-CG 4.4Å; W184-K189 HydrophobicContact CH2-CB 4.02Å; W184-K189 HydrophobicContact CH2-CD 4.23Å; W184-K189 HydrophobicContact CZ2-CB 4.32Å; W184-K189 HydrophobicContact CZ2-CD 3.71Å; N185-K189 WeakPolarHBondContact O-CA 3.43Å; N185-K189 PolarHBondContact O-N 3.39Å; D186-K189 VanDerWaalsContact O-CD 3.26Å; D186-K189 WeakPolarHBondContact O-CD 2.61Å; D186-K189 VanDerWaalsContact O-CE 3.22Å; D186-K189 WeakPolarHBondContact O-CE 2.7Å; D186-K189 PolarHBondContact O-NZ 3.1Å; D186-K189 IonicContact OD1-NZ 2.71Å; D186-K189 PolarHBondContact OD1-NZ 3.28Å; D186-K189 IonicContact OD2-NZ 2.94Å; D186-K189 PolarHBondContact OD2-NZ 3.05Å |
| 190 | S | 93.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 153.6 | -174.7 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | W184 N185 Q188 | W184-S190 VanDerWaalsContact CE3-O 3.32Å; N185-S190 PolarHBondContact N-O 3.07Å; N185-S190 PolarHBondContact O-N 3.28Å; Q188-S190 WeakPolarHBondContact CB-OG 3.07Å; Q188-S190 PolarHBondContact O-N 3.24Å; Q188-S190 PolarHBondContact OE1-OG 3.13Å |
| 191 | L | 94.4 | Very high | 92 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.1 | -178.3 | -176.8 | 67.6 | 0 | 0 | 0 | 108.5 | V138 I149 A151 L171 F182 W184 | V138-L191 HydrophobicContact CG2-CD2 3.83Å; I149-L191 HydrophobicContact CG2-CB 4.18Å; A151-L191 HydrophobicContact CB-CD2 3.77Å; L171-L191 HydrophobicContact CB-CD1 4.38Å; L171-L191 HydrophobicContact CD2-CD2 4.19Å; F182-L191 HydrophobicContact CB-CD1 3.59Å; F182-L191 HydrophobicContact CB-CD2 4.39Å; F182-L191 HydrophobicContact CB-CG 3.79Å; F182-L191 HydrophobicContact CG-CG 4.37Å; W184-L191 HydrophobicContact CE3-CB 4.38Å; W184-L191 HydrophobicContact CE3-CD1 4.44Å |
| 192 | V | 93.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.2 | -166.3 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | F182 I183 | F182-V192 CarbonylContact C-O 3.49Å; F182-V192 WeakPolarHBondContact CA-O 3.4Å; I183-V192 PolarHBondContact N-O 2.93Å; I183-V192 PolarHBondContact O-N 2.85Å |
| 193 | A | 92.8 | Very high | 91.5 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 141.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F182 T195 P198 | F182-A193 HydrophobicContact CD1-CB 4.15Å; F182-A193 HydrophobicContact CE1-CB 4.17Å; A193-T195 PolarHBondContact O-N 2.91Å; A193-P198 HydrophobicContact CB-CB 4.15Å |
| 194 | C | 90.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | trans | -67.3 | 129.1 | -174.3 | -171.2 | 0 | 0 | 0 | 0 | 112 | R170 S181 I183 F196 C197 P198 | R170-C194 PolarHBondContact NH1-SG 3.2Å; S181-C194 WeakPolarHBondContact O-CB 3.4Å; S181-C194 PolarHBondContact O-N 2.89Å; I183-C194 HydrophobicContact CD1-CB 4.35Å; I183-C194 HydrophobicContact CG1-CB 4.26Å; C194-F196 PolarHBondContact O-N 2.87Å; C194-F196 VanDerWaalsContact SG-CE1 3.54Å; C194-C197 CarbonylContact O-C 3.6Å; C194-P198 WeakPolarHBondContact O-CA 3.49Å; C194-P198 VanDerWaalsContact O-CB 3.3Å; C194-P198 WeakPolarHBondContact O-CB 3.31Å; C194-P198 VanDerWaalsContact O-CD 3.27Å; C194-P198 WeakPolarHBondContact O-CD 3.49Å; C194-P198 VanDerWaalsContact O-N 3.13Å | ||
| 195 | T | 87.9 | Confident | 91.1 | Very high | 141 Ų | 141 | 64.4 Ų | 64.4 | 87% | 0.865 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -70 | -35.9 | -167.7 | 50.4 | 0 | 0 | 0 | 0 | 115.1 | A193 | A193-T195 PolarHBondContact O-N 2.91Š|
| 196 | F | 84.7 | Confident | 91.2 | Very high | 95 Ų | 95 | 62 Ų | 62 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -90.2 | -21.4 | -176.3 | 73.2 | -98.8 | 0 | 0 | 0 | 113.6 | C194 E324 V327 | C194-F196 PolarHBondContact O-N 2.87Å; C194-F196 VanDerWaalsContact SG-CE1 3.54Å; F196-E324 WeakPolarHBondContact CZ-O 3.31Å; F196-V327 HydrophobicContact CE2-CG2 3.78Å; F196-V327 HydrophobicContact CZ-CG2 4.26Å |
| 197 | C | 85.3 | Confident | 91.5 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | trans | -164.3 | 88.3 | 178 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | C194 I199 V327 | C194-C197 CarbonylContact O-C 3.6Å; C197-I199 VanDerWaalsContact C-N 3.33Å; C197-I199 PolarHBondContact SG-O 2.92Å; C197-V327 HydrophobicContact CB-CB 4.45Å; C197-V327 HydrophobicContact CB-CG2 3.68Å; C197-V327 VanDerWaalsContact SG-CG2 3.57Å | ||
| 198 | P | 89.6 | Confident | 91.8 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -77.8 | -20.8 | 179.2 | 28.9 | -33.1 | 0 | 0 | 0 | 112.7 | H180 S181 A193 C194 | H180-P198 CarbonylContact C-O 3.58Å; H180-P198 WeakPolarHBondContact CA-O 3.27Å; S181-P198 PolarHBondContact N-O 2.65Å; A193-P198 HydrophobicContact CB-CB 4.15Å; C194-P198 WeakPolarHBondContact O-CA 3.49Å; C194-P198 VanDerWaalsContact O-CB 3.3Å; C194-P198 WeakPolarHBondContact O-CB 3.31Å; C194-P198 VanDerWaalsContact O-CD 3.27Å; C194-P198 WeakPolarHBondContact O-CD 3.49Å; C194-P198 VanDerWaalsContact O-N 3.13Å |
| 199 | I | 93.2 | Very high | 92.1 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131.5 | -176.3 | -52.8 | 177.6 | 0 | 0 | 0 | 108 | A178 L179 H180 C197 | A178-I199 HydrophobicContact CB-CG2 3.83Å; L179-I199 WeakPolarHBondContact O-CA 3.07Å; H180-I199 VanDerWaalsContact CE1-CD1 3.48Å; H180-I199 WeakPolarHBondContact CE1-CD1 3.08Å; C197-I199 VanDerWaalsContact C-N 3.33Å; C197-I199 PolarHBondContact SG-O 2.92Å |
| 200 | F | 94 | Very high | 92.3 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 18% | 0.18 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 118.4 | 176.1 | -179.4 | -91.9 | 0 | 0 | 0 | 110 | A178 L179 V202 V321 V327 M329 | A178-F200 CarbonylContact C-O 3.53Å; A178-F200 WeakPolarHBondContact CA-O 3.07Å; L179-F200 HydrophobicContact CD1-CD1 4.43Å; L179-F200 PolarHBondContact N-O 3Å; L179-F200 PolarHBondContact O-N 2.9Å; F200-V202 HydrophobicContact CD1-CG2 4.38Å; F200-V321 HydrophobicContact CD1-CG1 3.93Å; F200-V321 HydrophobicContact CD1-CG2 4.4Å; F200-V321 HydrophobicContact CE1-CG1 3.92Å; F200-V321 HydrophobicContact CE1-CG2 3.96Å; F200-V327 HydrophobicContact CB-CG1 4Å; F200-V327 HydrophobicContact CD1-CG1 4.09Å; F200-V327 HydrophobicContact CD2-CB 3.75Å; F200-V327 HydrophobicContact CD2-CG1 3.41Å; F200-V327 VanDerWaalsContact CD2-CG1 3.41Å; F200-V327 HydrophobicContact CE1-CG1 4.45Å; F200-V327 HydrophobicContact CE2-CB 4.22Å; F200-V327 HydrophobicContact CE2-CG1 3.83Å; F200-V327 HydrophobicContact CG-CB 4.29Å; F200-V327 HydrophobicContact CG-CG1 3.56Å; F200-V327 HydrophobicContact CZ-CG1 4.33Å; F200-M329 HydrophobicContact CZ-CB 4.13Å |
| 201 | D | 93.6 | Very high | 92.4 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.8 | 177.2 | -177.7 | 30.8 | 0 | 0 | 0 | 111.6 | S177 G203 | S177-D201 VanDerWaalsContact CB-OD1 3.23Å; S177-D201 WeakPolarHBondContact CB-OD1 3.4Å; S177-D201 PolarHBondContact OG-OD1 3.34Å; D201-G203 PolarHBondContact OD1-N 2.88Å |
| 202 | V | 92.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -95.5 | -12.3 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | S177 L179 F200 G204 I206 V219 T221 V319 | S177-V202 WeakPolarHBondContact O-CB 3.37Å; S177-V202 PolarHBondContact O-N 3.44Å; L179-V202 HydrophobicContact CD1-CG2 3.76Å; L179-V202 HydrophobicContact CG-CG2 3.84Å; F200-V202 HydrophobicContact CD1-CG2 4.38Å; V202-G204 VanDerWaalsContact C-N 3.29Å; V202-G204 PolarHBondContact O-N 2.9Å; V202-I206 HydrophobicContact CG2-CD1 4.03Å; V202-V219 HydrophobicContact CG1-CG1 4.23Å; V202-V219 HydrophobicContact CG2-CG1 4.39Å; V202-T221 HydrophobicContact CG1-CG2 3.91Å; V202-V319 HydrophobicContact CG1-CB 4.12Å; V202-V319 HydrophobicContact CG1-CG1 4.12Å; V202-V319 HydrophobicContact CG1-CG2 3.91Å | ||
| 203 | G | 88.1 | Confident | 92 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 79.8 | 4.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D201 | D201-G203 PolarHBondContact OD1-N 2.88Š|
| 204 | G | 89.5 | Confident | 91.9 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -150.5 | 147.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | S177 V202 T221 | S177-G204 VanDerWaalsContact CA-O 3.27Å; S177-G204 WeakPolarHBondContact CA-O 3.49Å; S177-G204 VanDerWaalsContact CB-O 3.24Å; S177-G204 WeakPolarHBondContact CB-O 3.49Å; V202-G204 VanDerWaalsContact C-N 3.29Å; V202-G204 PolarHBondContact O-N 2.9Å; G204-T221 WeakPolarHBondContact O-CG2 3.24Å |
| 205 | Y | 93 | Very high | 92 | Very high | 101 Ų | 101 | 44.3 Ų | 44.3 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | trans | -67 | 134.8 | -176.1 | -179.6 | -85.7 | 0 | 0 | 0 | 111.1 | H160 T221 E222 | H160-Y205 AromaticContact CE1-CE2 3.69Å; H160-Y205 AromaticContact CE1-CZ 3.38Å; H160-Y205 PolarHBondContact CE1-OH 2.88Å; H160-Y205 AromaticContact ND1-CZ 3.98Å; H160-Y205 AromaticContact NE2-CE2 3.31Å; H160-Y205 VanDerWaalsContact NE2-CE2 3.31Å; H160-Y205 WeakPolarHBondContact NE2-CE2 3.33Å; H160-Y205 AromaticContact NE2-CZ 3.41Å; Y205-T221 CarbonylContact O-C 3.56Å; Y205-T221 WeakPolarHBondContact O-CA 3.4Å; Y205-T221 VanDerWaalsContact O-CB 3.29Å; Y205-T221 WeakPolarHBondContact O-CB 3.44Å; Y205-E222 HydrophobicContact CD1-CG 3.82Å; Y205-E222 WeakPolarHBondContact CD1-OE2 3.47Å; Y205-E222 HydrophobicContact CG-CG 4.34Å; Y205-E222 PolarHBondContact O-N 2.91Å | ||
| 206 | I | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.3 | -164.6 | -60.5 | 167 | 0 | 0 | 0 | 111.4 | A174 G176 L179 V202 I209 V219 T221 | A174-I206 HydrophobicContact CB-CB 3.98Å; A174-I206 HydrophobicContact CB-CD1 3.96Å; A174-I206 HydrophobicContact CB-CG2 3.62Å; G176-I206 PolarHBondContact O-N 3.34Å; L179-I206 HydrophobicContact CD2-CD1 3.71Å; L179-I206 HydrophobicContact CG-CD1 4.06Å; V202-I206 HydrophobicContact CG2-CD1 4.03Å; I206-I209 HydrophobicContact CG2-CG2 3.59Å; I206-V219 HydrophobicContact CB-CG1 4.38Å; I206-V219 HydrophobicContact CD1-CG1 4.1Å; I206-V219 HydrophobicContact CG1-CG1 3.82Å; I206-V219 HydrophobicContact CG2-CG1 3.74Å; I206-T221 HydrophobicContact CG1-CG2 4.34Å |
| 207 | C | 95.3 | Very high | 93 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 10% | 0.095 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -34.7 | -178.1 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | Q117 A220 E222 V340 P341 | Q117-C207 PolarHBondContact NE2-O 2.82Å; C207-A220 PolarHBondContact N-O 2.8Å; C207-E222 VanDerWaalsContact SG-CB 3.54Å; C207-E222 PolarHBondContact SG-N 2.96Å; C207-V340 HydrophobicContact CB-CG1 4.43Å; C207-P341 HydrophobicContact CB-CG 4.44Å; C207-P341 WeakPolarHBondContact CB-O 3.49Å |
| 208 | A | 96.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 147.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A220 V344 | A208-A220 PolarHBondContact O-N 2.99Å; A208-V344 HydrophobicContact CB-CB 4.47Å; A208-V344 HydrophobicContact CB-CG2 3.84Å |
| 209 | I | 96.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.3 | 172.4 | 69.2 | 178.6 | 0 | 0 | 0 | 111.1 | C163 V172 A174 L179 I206 A218 V219 | C163-I209 HydrophobicContact CB-CD1 4.26Å; C163-I209 HydrophobicContact CB-CG1 3.97Å; C163-I209 VanDerWaalsContact SG-CD1 3.53Å; V172-I209 HydrophobicContact CB-CD1 4.39Å; V172-I209 HydrophobicContact CG1-CD1 4.11Å; A174-I209 HydrophobicContact CB-CD1 4.43Å; A174-I209 HydrophobicContact CB-CG2 4.44Å; L179-I209 HydrophobicContact CD2-CD1 4.34Å; L179-I209 HydrophobicContact CD2-CG2 4.2Å; I206-I209 HydrophobicContact CG2-CG2 3.59Å; I209-A218 CarbonylContact C-O 3.59Å; I209-A218 VanDerWaalsContact CA-O 3.24Å; I209-A218 WeakPolarHBondContact CA-O 3.2Å; I209-V219 HydrophobicContact CG2-CB 4.16Å; I209-V219 HydrophobicContact CG2-CG1 3.92Å; I209-V219 HydrophobicContact CG2-CG2 3.91Å |
| 210 | E | 96.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.3 | -177.1 | 176.8 | 60.1 | -111.2 | 0 | 0 | 109.5 | H17 K166 V217 A218 V344 F346 | H17-E210 IonicContact CE1-OE1 2.73Å; H17-E210 IonicContact CE1-OE2 3.28Å; H17-E210 PolarHBondContact CE1-OE2 2.89Å; H17-E210 IonicContact ND1-OE2 2.71Å; H17-E210 PolarHBondContact ND1-OE2 1.94Å; K166-E210 IonicContact NZ-OE1 2.93Å; E210-V217 CarbonylContact O-C 3.59Å; E210-V217 WeakPolarHBondContact O-CA 3.21Å; E210-A218 PolarHBondContact N-O 2.84Å; E210-A218 PolarHBondContact O-N 3.27Å; E210-V344 HydrophobicContact CB-CB 4.08Å; E210-V344 HydrophobicContact CB-CG1 3.6Å; E210-V344 HydrophobicContact CG-CG1 4.26Å; E210-F346 HydrophobicContact CG-CB 3.9Å |
| 211 | A | 95.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | W164 K166 F346 | W164-A211 WeakPolarHBondContact O-CB 3.45Å; K166-A211 HydrophobicContact CD-CB 3.84Å; K166-A211 WeakPolarHBondContact CE-O 3.35Å; K166-A211 HydrophobicContact CG-CB 4.07Å; K166-A211 PolarHBondContact NZ-O 3.15Å; A211-F346 WeakPolarHBondContact O-CD1 3.4Å |
| 212 | T | 93.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | trans | -107.6 | -77.2 | -178.3 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | K166 Q216 A218 L320 F346 V353 I368 | K166-T212 VanDerWaalsContact CE-O 3.29Å; K166-T212 WeakPolarHBondContact CE-O 3.34Å; K166-T212 WeakPolarHBondContact CG-O 3.41Å; T212-Q216 PolarHBondContact N-O 2.88Å; T212-Q216 VanDerWaalsContact OG1-CG 3.31Å; T212-Q216 WeakPolarHBondContact OG1-CG 3.27Å; T212-Q216 PolarHBondContact OG1-O 3.23Å; T212-Q216 PolarHBondContact OG1-OE1 3.32Å; T212-A218 HydrophobicContact CG2-CB 3.7Å; T212-L320 HydrophobicContact CG2-CD2 4.16Å; T212-F346 HydrophobicContact CG2-CB 4.3Å; T212-F346 HydrophobicContact CG2-CD1 4.23Å; T212-F346 HydrophobicContact CG2-CD2 3.76Å; T212-F346 HydrophobicContact CG2-CE2 4.06Å; T212-F346 HydrophobicContact CG2-CG 3.83Å; T212-F346 HydrophobicContact CG2-CZ 4.42Å; T212-F346 WeakPolarHBondContact O-CE1 3.48Å; T212-V353 HydrophobicContact CG2-CG2 4.47Å; T212-I368 HydrophobicContact CG2-CD1 4.09Å | ||
| 213 | G | 87.3 | Confident | 94 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 31% | 0.309 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -95.6 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K166 A215 Q216 | K166-G213 WeakPolarHBondContact CG-O 3.39Å; G213-A215 VanDerWaalsContact C-N 3.25Å; G213-A215 PolarHBondContact O-N 3.03Å; G213-A215 VanDerWaalsContact O-N 3.12Å; G213-Q216 PolarHBondContact N-O 3.34Å; G213-Q216 PolarHBondContact O-N 2.83Å; G213-Q216 VanDerWaalsContact O-N 3.1Å |
| 214 | E | 90.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 22.6 Ų | 22.6 | 53% | 0.533 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -48.6 | 180 | -72.1 | -52.7 | 109.8 | 0 | 0 | 113 | K124 T165 K166 D167 | K124-E214 IonicContact NZ-OE2 2.69Å; K124-E214 PolarHBondContact NZ-OE2 2.87Å; T165-E214 WeakPolarHBondContact CB-O 3.43Å; K166-E214 PolarHBondContact N-O 3.07Å; D167-E214 VanDerWaalsContact CA-OE2 3.31Å; D167-E214 WeakPolarHBondContact CA-OE2 3.35Å; D167-E214 HydrophobicContact CB-CB 4.2Å; D167-E214 VanDerWaalsContact CB-O 3.31Å; D167-E214 WeakPolarHBondContact CB-O 3.41Å; D167-E214 WeakPolarHBondContact CB-OE2 3.38Å; D167-E214 VanDerWaalsContact CG-O 3.23Å; D167-E214 PolarHBondContact N-O 3.39Å |
| 215 | A | 92.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 29.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G213 Y323 | G213-A215 VanDerWaalsContact C-N 3.25Å; G213-A215 PolarHBondContact O-N 3.03Å; G213-A215 VanDerWaalsContact O-N 3.12Å; A215-Y323 PolarHBondContact O-N 2.98Å |
| 216 | Q | 94.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 24 Ų | 24 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.5 | 179.2 | -172.4 | 179.9 | 84.7 | 0 | 0 | 111.9 | T212 G213 V321 T322 T330 | T212-Q216 PolarHBondContact N-O 2.88Å; T212-Q216 VanDerWaalsContact OG1-CG 3.31Å; T212-Q216 WeakPolarHBondContact OG1-CG 3.27Å; T212-Q216 PolarHBondContact OG1-O 3.23Å; T212-Q216 PolarHBondContact OG1-OE1 3.32Å; G213-Q216 PolarHBondContact N-O 3.34Å; G213-Q216 PolarHBondContact O-N 2.83Å; G213-Q216 VanDerWaalsContact O-N 3.1Å; Q216-V321 WeakPolarHBondContact CA-O 3.37Å; Q216-V321 WeakPolarHBondContact CG-O 3.11Å; Q216-T322 PolarHBondContact NE2-OG1 2.77Å; Q216-T330 PolarHBondContact NE2-OG1 2.98Å |
| 217 | V | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.5 | 174.1 | -55 | 0 | 0 | 0 | 0 | 110.8 | C163 T165 V172 L179 E210 V219 L320 V321 Y323 | C163-V217 VanDerWaalsContact SG-CG1 3.52Å; T165-V217 HydrophobicContact CG2-CG1 4.34Å; V172-V217 HydrophobicContact CG2-CG1 4.29Å; L179-V217 HydrophobicContact CD1-CG2 4.46Å; E210-V217 CarbonylContact O-C 3.59Å; E210-V217 WeakPolarHBondContact O-CA 3.21Å; V217-V219 HydrophobicContact CG2-CG2 3.99Å; V217-L320 WeakPolarHBondContact O-CA 3.22Å; V217-V321 HydrophobicContact CG2-CB 4.1Å; V217-V321 PolarHBondContact N-O 2.95Å; V217-V321 PolarHBondContact O-N 3.22Å; V217-Y323 HydrophobicContact CG1-CE2 4.5Å; V217-Y323 HydrophobicContact CG2-CE2 3.96Å |
| 218 | A | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 139 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I209 E210 T212 L318 V319 L320 | I209-A218 CarbonylContact C-O 3.59Å; I209-A218 VanDerWaalsContact CA-O 3.24Å; I209-A218 WeakPolarHBondContact CA-O 3.2Å; E210-A218 PolarHBondContact N-O 2.84Å; E210-A218 PolarHBondContact O-N 3.27Å; T212-A218 HydrophobicContact CG2-CB 3.7Å; A218-L318 HydrophobicContact CB-CD1 4.28Å; A218-V319 CarbonylContact C-O 3.59Å; A218-V319 WeakPolarHBondContact CA-O 3.07Å; A218-L320 HydrophobicContact CB-CD2 3.88Å |
| 219 | V | 97.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.6 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L179 V202 I206 I209 V217 T221 V319 V321 | L179-V219 HydrophobicContact CD1-CG2 3.81Å; L179-V219 HydrophobicContact CD2-CG2 4.15Å; V202-V219 HydrophobicContact CG1-CG1 4.23Å; V202-V219 HydrophobicContact CG2-CG1 4.39Å; I206-V219 HydrophobicContact CB-CG1 4.38Å; I206-V219 HydrophobicContact CD1-CG1 4.1Å; I206-V219 HydrophobicContact CG1-CG1 3.82Å; I206-V219 HydrophobicContact CG2-CG1 3.74Å; I209-V219 HydrophobicContact CG2-CB 4.16Å; I209-V219 HydrophobicContact CG2-CG1 3.92Å; I209-V219 HydrophobicContact CG2-CG2 3.91Å; V217-V219 HydrophobicContact CG2-CG2 3.99Å; V219-T221 HydrophobicContact CG1-CG2 4.32Å; V219-V319 HydrophobicContact CB-CB 4.38Å; V219-V319 PolarHBondContact N-O 2.8Å; V219-V319 PolarHBondContact O-N 2.81Å; V219-V321 HydrophobicContact CG2-CG2 4.3Å |
| 220 | A | 97.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | C207 A208 H317 I335 P341 V344 V355 | C207-A220 PolarHBondContact N-O 2.8Å; A208-A220 PolarHBondContact O-N 2.99Å; A220-H317 WeakPolarHBondContact CA-O 3.44Å; A220-I335 HydrophobicContact CB-CD1 4.5Å; A220-P341 HydrophobicContact CB-CB 3.86Å; A220-P341 HydrophobicContact CB-CG 3.68Å; A220-V344 HydrophobicContact CB-CG2 3.69Å; A220-V355 HydrophobicContact CB-CG1 4.5Å |
| 221 | T | 95.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146 | -179.6 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | V202 G204 Y205 I206 V219 S316 H317 P341 | V202-T221 HydrophobicContact CG1-CG2 3.91Å; G204-T221 WeakPolarHBondContact O-CG2 3.24Å; Y205-T221 CarbonylContact O-C 3.56Å; Y205-T221 WeakPolarHBondContact O-CA 3.4Å; Y205-T221 VanDerWaalsContact O-CB 3.29Å; Y205-T221 WeakPolarHBondContact O-CB 3.44Å; I206-T221 HydrophobicContact CG1-CG2 4.34Å; V219-T221 HydrophobicContact CG1-CG2 4.32Å; T221-S316 WeakPolarHBondContact O-CA 3.46Å; T221-S316 VanDerWaalsContact O-CB 3.26Å; T221-S316 WeakPolarHBondContact O-CB 3.42Å; T221-H317 PolarHBondContact N-O 3.01Å; T221-H317 PolarHBondContact O-N 2.98Å; T221-H317 PolarHBondContact OG1-N 3.09Å; T221-P341 WeakPolarHBondContact O-CG 3.29Å |
| 222 | E | 93.4 | Very high | 81.4 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | trans | -71.4 | 163.9 | 174 | 55.1 | -176.8 | -139.6 | 0 | 0 | 113.1 | Y205 C207 L339 V340 | Y205-E222 HydrophobicContact CD1-CG 3.82Å; Y205-E222 WeakPolarHBondContact CD1-OE2 3.47Å; Y205-E222 HydrophobicContact CG-CG 4.34Å; Y205-E222 PolarHBondContact O-N 2.91Å; C207-E222 VanDerWaalsContact SG-CB 3.54Å; C207-E222 PolarHBondContact SG-N 2.96Å; E222-L339 VanDerWaalsContact CA-O 3.3Å; E222-L339 WeakPolarHBondContact CA-O 3.43Å; E222-L339 WeakPolarHBondContact CB-O 3.41Å; E222-V340 HydrophobicContact CB-CG2 4.27Å | ||
| 223 | L | 88.8 | Confident | 78.9 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -63.4 | 128.7 | 166.8 | -176.4 | 74.4 | 0 | 0 | 0 | 109.6 | L225 L228 D314 S315 S316 L339 | L223-L225 VanDerWaalsContact C-N 3.26Å; L223-L225 HydrophobicContact CD2-CD2 3.73Å; L223-L225 HydrophobicContact CD2-CG 4.32Å; L223-L225 HydrophobicContact CG-CD2 4.4Å; L223-L225 PolarHBondContact O-N 2.89Å; L223-L228 HydrophobicContact CD1-CD1 3.71Å; L223-L228 HydrophobicContact CD2-CD1 3.81Å; L223-L228 HydrophobicContact CG-CD1 3.61Å; L223-D314 WeakPolarHBondContact CD1-O 3.45Å; L223-S315 VanDerWaalsContact CD1-CA 3.41Å; L223-S316 PolarHBondContact N-OG 3.02Å; L223-L339 HydrophobicContact CD2-CD2 3.73Å; L223-L339 PolarHBondContact N-O 3.13Å | ||
| 224 | P | 83.2 | Confident | 76.4 | Confident | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | trans | -74.4 | 75.7 | 179.6 | 31.1 | -36.1 | 0 | 0 | 0 | 112 | D226 K227 L228 | P224-D226 VanDerWaalsContact C-OD1 3.23Å; P224-D226 WeakPolarHBondContact CA-OD1 3.25Å; P224-D226 WeakPolarHBondContact CB-OD1 3.23Å; P224-D226 PolarHBondContact O-N 2.69Å; P224-K227 HydrophobicContact CB-CB 4.27Å; P224-K227 HydrophobicContact CB-CD 3.87Å; P224-K227 HydrophobicContact CB-CG 4.23Å; P224-K227 HydrophobicContact CG-CD 4.44Å; P224-K227 PolarHBondContact O-N 2.99Å; P224-L228 WeakPolarHBondContact O-CG 3.24Å; P224-L228 PolarHBondContact O-N 2.82Å; P224-L228 VanDerWaalsContact O-N 3.15Å | ||
| 225 | L | 77.9 | Confident | 74 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -26 | 179.8 | -72 | 172.8 | 0 | 0 | 0 | 112.9 | L223 C229 | L223-L225 VanDerWaalsContact C-N 3.26Å; L223-L225 HydrophobicContact CD2-CD2 3.73Å; L223-L225 HydrophobicContact CD2-CG 4.32Å; L223-L225 HydrophobicContact CG-CD2 4.4Å; L223-L225 PolarHBondContact O-N 2.89Å; L225-C229 WeakPolarHBondContact O-CB 3.3Å; L225-C229 PolarHBondContact O-N 2.86Å; L225-C229 PolarHBondContact O-SG 3.1Å |
| 226 | D | 70.4 | Confident | 71.2 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 35% | 0.353 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.6 | -52.4 | 171.4 | 64 | -37.8 | 0 | 0 | 0 | 111.5 | P224 G230 L231 | P224-D226 VanDerWaalsContact C-OD1 3.23Å; P224-D226 WeakPolarHBondContact CA-OD1 3.25Å; P224-D226 WeakPolarHBondContact CB-OD1 3.23Å; P224-D226 PolarHBondContact O-N 2.69Å; D226-G230 PolarHBondContact O-N 3.45Å; D226-L231 PolarHBondContact O-N 2.94Å |
| 227 | K | 71.3 | Confident | 68.2 | Low | 122 Ų | 122 | 62 Ų | 62 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.5 | -31.9 | -178.2 | -61.3 | 172.8 | -161 | 169.2 | 0 | 112.4 | P224 | P224-K227 HydrophobicContact CB-CB 4.27Å; P224-K227 HydrophobicContact CB-CD 3.87Å; P224-K227 HydrophobicContact CB-CG 4.23Å; P224-K227 HydrophobicContact CG-CD 4.44Å; P224-K227 PolarHBondContact O-N 2.99Å |
| 228 | L | 68.7 | Low | 65 | Low | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -81.5 | -45.7 | -177.2 | -69.4 | 169 | 0 | 0 | 0 | 113.4 | L223 P224 G230 D314 | L223-L228 HydrophobicContact CD1-CD1 3.71Å; L223-L228 HydrophobicContact CD2-CD1 3.81Å; L223-L228 HydrophobicContact CG-CD1 3.61Å; P224-L228 WeakPolarHBondContact O-CG 3.24Å; P224-L228 PolarHBondContact O-N 2.82Å; P224-L228 VanDerWaalsContact O-N 3.15Å; L228-G230 VanDerWaalsContact C-N 3.29Å; L228-G230 PolarHBondContact O-N 2.9Å; L228-D314 HydrophobicContact CD2-CB 3.94Å |
| 229 | C | 62.4 | Low | 61.7 | Low | 41 Ų | 41 | 77.6 Ų | 77.6 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -83.4 | -3.2 | -175.5 | -66 | 0 | 0 | 0 | 0 | 113.9 | L225 L231 L302 R303 | L225-C229 WeakPolarHBondContact O-CB 3.3Å; L225-C229 PolarHBondContact O-N 2.86Å; L225-C229 PolarHBondContact O-SG 3.1Å; C229-L231 HydrophobicContact CB-CD1 4.01Å; C229-L231 HydrophobicContact CB-CG 3.87Å; C229-L231 PolarHBondContact O-N 3.2Å; C229-L302 HydrophobicContact CB-CD2 4.07Å; C229-R303 PolarHBondContact O-N 3.13Å |
| 230 | G | 55.5 | Low | 58.5 | Low | 39 Ų | 39 | 83.1 Ų | 83.1 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 30 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D226 L228 N232 | D226-G230 PolarHBondContact O-N 3.45Å; L228-G230 VanDerWaalsContact C-N 3.29Å; L228-G230 PolarHBondContact O-N 2.9Å; G230-N232 PolarHBondContact O-N 2.88Å; G230-N232 VanDerWaalsContact O-N 3.17Å |
| 231 | L | 53.9 | Low | 55.3 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | trans | -71.8 | 109.3 | 177.6 | -73.7 | 166.6 | 0 | 0 | 0 | 108.2 | D226 C229 S233 I300 L302 | D226-L231 PolarHBondContact O-N 2.94Å; C229-L231 HydrophobicContact CB-CD1 4.01Å; C229-L231 HydrophobicContact CB-CG 3.87Å; C229-L231 PolarHBondContact O-N 3.2Å; L231-S233 PolarHBondContact O-N 3.16Å; L231-I300 HydrophobicContact CD2-CG2 4.02Å; L231-L302 HydrophobicContact CD2-CD2 3.76Å; L231-L302 HydrophobicContact CG-CD2 4.21Å | ||
| 232 | N | 39 | Very low | 52.1 | Low | 162 Ų | 162 | 98.4 Ų | 98.4 | 87% | 0.866 | 56% | 0.561 | S | S | * | * | trans | -59.1 | 107.2 | 165 | -72.8 | -13.4 | 0 | 0 | 0 | 107.7 | G230 G234 | G230-N232 PolarHBondContact O-N 2.88Å; G230-N232 VanDerWaalsContact O-N 3.17Å; N232-G234 PolarHBondContact O-N 2.87Å | ||
| 233 | S | 41.9 | Very low | 49.2 | Very low | 86 Ų | 86 | 101.8 Ų | 101.8 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | trans | -72.1 | 56.9 | -179.6 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | L231 I235 | L231-S233 PolarHBondContact O-N 3.16Å; S233-I235 PolarHBondContact O-N 3.09Å | ||
| 234 | G | 34.2 | Very low | 46.3 | Very low | 71 Ų | 71 | 109.7 Ų | 109.7 | 73% | 0.732 | 62% | 0.622 | S | S | * | * | trans | -70.5 | 77 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N232 A236 | N232-G234 PolarHBondContact O-N 2.87Å; G234-A236 PolarHBondContact O-N 2.88Å; G234-A236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | I | 39.8 | Very low | 43.8 | Very low | 143 Ų | 143 | 114.7 Ų | 114.7 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | -62.6 | 111.1 | 158.2 | -64.4 | 176.7 | 0 | 0 | 0 | 106.1 | S233 F237 | S233-I235 PolarHBondContact O-N 3.09Å; I235-F237 VanDerWaalsContact C-N 3.31Å; I235-F237 HydrophobicContact CG2-CD2 4.1Å; I235-F237 PolarHBondContact O-N 2.82Å | ||
| 236 | A | 34.8 | Very low | 41.4 | Very low | 92 Ų | 92 | 119 Ų | 119 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -74.7 | 80.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G234 | G234-A236 PolarHBondContact O-N 2.88Å; G234-A236 VanDerWaalsContact O-N 3.15Å |
| 237 | F | 31 | Very low | 39.5 | Very low | 186 Ų | 186 | 125 Ų | 125 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -143.7 | 128.9 | 162.5 | -78 | -71.3 | 0 | 0 | 0 | 109.3 | I235 | I235-F237 VanDerWaalsContact C-N 3.31Å; I235-F237 HydrophobicContact CG2-CD2 4.1Å; I235-F237 PolarHBondContact O-N 2.82Å | ||
| 238 | D | 30.6 | Very low | 37.2 | Very low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -70.3 | 133.4 | -172.8 | -61.3 | -73.7 | 0 | 0 | 0 | 113.8 | ||||
| 239 | L | 27.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -154.7 | 133 | 139 | -154 | 66.1 | 0 | 0 | 0 | 109.2 | ||||
| 240 | P | 31.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 140 | -179 | 29.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||||
| 241 | V | 29.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -98.4 | 115.6 | 165 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 242 | E | 28.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 136.9 | 172.9 | -68.3 | -174.8 | 129 | 0 | 0 | 110.5 | ||||
| 243 | T | 33.2 | Very low | 30.8 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -86.5 | 119.5 | -179.7 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 244 | E | 27 | Very low | 30.2 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -115.2 | 107.2 | 153.5 | -71.9 | -153.7 | 137.9 | 0 | 0 | 110.3 | ||||
| 245 | T | 30.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 147 Ų | 147 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -89.6 | 122.8 | 170.1 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 246 | L | 28.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | trans | -125.8 | 147.4 | 162.9 | -77.9 | 177.9 | 0 | 0 | 0 | 111.6 | ||||
| 247 | Q | 29.5 | Very low | 29.4 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -93.8 | 150.3 | -164.9 | -62.6 | 163.4 | -34 | 0 | 0 | 111.7 | ||||
| 248 | G | 24.4 | Very low | 29.4 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | trans | -144.6 | 105.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 249 | Q | 30.8 | Very low | 29.5 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -82 | 140.1 | -178.7 | -68.4 | 176.7 | -42.1 | 0 | 0 | 111.4 | ||||
| 250 | G | 25.8 | Very low | 29.5 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -135 | 114.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 251 | S | 29.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -86.4 | 140 | -171.4 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 252 | H | 25.7 | Very low | 29.5 | Very low | 173 Ų | 173 | 145 Ų | 145 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | trans | -149.1 | 121.9 | 136.6 | -137.4 | -70.6 | 0 | 0 | 0 | 111.9 | ||||
| 253 | L | 31.6 | Very low | 29.6 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -98 | 133.8 | 165.4 | -79.7 | 161.4 | 0 | 0 | 0 | 108.8 | ||||
| 254 | V | 30.9 | Very low | 29.5 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -144.9 | 146.7 | 145 | -175.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 255 | M | 31 | Very low | 29.6 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -95.1 | 149.4 | -173.7 | -48.2 | -169 | 76.2 | 0 | 0 | 112.4 | ||||
| 256 | A | 28.6 | Very low | 30 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | -166.8 | 134.1 | 127.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 257 | D | 30.9 | Very low | 30 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -120 | 133 | 168.9 | -167.3 | 24 | 0 | 0 | 0 | 106.1 | ||||
| 258 | D | 32.3 | Very low | 30 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -151.1 | 123.7 | 176.8 | -166.1 | 29.5 | 0 | 0 | 0 | 109 | ||||
| 259 | D | 33 | Very low | 30.1 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -120.4 | 120.8 | -163.6 | -172 | 14.7 | 0 | 0 | 0 | 110.4 | ||||
| 260 | G | 27.9 | Very low | 30 | Very low | 69 Ų | 69 | 153.3 Ų | 153.3 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -147.6 | 38.3 | -141.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 261 | I | 28.7 | Very low | 30.1 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | 14.8 | 117.6 | 150.2 | -44.7 | 173.8 | 0 | 0 | 0 | 117.5 | ||||
| 262 | L | 32.1 | Very low | 30.1 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | -176.9 | 151.1 | 120.7 | -100.8 | 174.1 | 0 | 0 | 0 | 115.7 | |||||
| 263 | D | 30.2 | Very low | 30.4 | Very low | 148 Ų | 148 | 162 Ų | 162 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 144.3 | 175.7 | -114.1 | -50.3 | 0 | 0 | 0 | 113.8 | ||||
| 264 | S | 31.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 159.8 Ų | 159.8 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -156 | 89.5 | 144 | -160.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 265 | R | 29.1 | Very low | 30.1 | Very low | 224 Ų | 224 | 163.3 Ų | 163.3 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | 25 | 127.3 | 137.7 | -62.4 | 179.8 | 178.9 | -178.5 | -0.2 | 119.8 | ||||
| 266 | R | 37.9 | Very low | 30.2 | Very low | 245 Ų | 245 | 162.5 Ų | 162.5 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -20.5 | 130.2 | 151.7 | -63 | 176.4 | 176 | -176.7 | -1.9 | 115.4 | ||||
| 267 | R | 29.7 | Very low | 30.4 | Very low | 228 Ų | 228 | 163.5 Ų | 163.5 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -133.5 | 112.2 | 135.8 | -75.8 | -166.6 | 176.3 | -178.6 | 0 | 110.4 | ||||
| 268 | S | 28.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 161.5 Ų | 161.5 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -81.1 | 135.6 | 163 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 269 | F | 27.2 | Very low | 30.9 | Very low | 191 Ų | 191 | 160 Ų | 160 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -139.5 | 122 | 155.1 | -90.2 | -75 | 0 | 0 | 0 | 109.1 | ||||
| 270 | E | 29 | Very low | 31.3 | Very low | 190 Ų | 190 | 155.7 Ų | 155.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -73.1 | 147 | 165.2 | -68.6 | 164.2 | 119.5 | 0 | 0 | 109.3 | ||||
| 271 | S | 27.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 158.7 Ų | 158.7 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -150.5 | 81.4 | 163.5 | -161.8 | 0 | 0 | 0 | 0 | 109.1 | R273 | S271-R273 PolarHBondContact O-N 3.33Š| ||
| 272 | E | 30.1 | Very low | 32 | Very low | 190 Ų | 190 | 158.5 Ų | 158.5 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -70 | 119.5 | 164.2 | -68 | -164.7 | 133.8 | 0 | 0 | 109.2 | ||||
| 273 | R | 30.5 | Very low | 32.4 | Very low | 231 Ų | 231 | 154.8 Ų | 154.8 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -150 | 135.4 | 147 | -119.2 | 168.8 | -172 | 179.1 | 2.2 | 112.8 | S271 | S271-R273 PolarHBondContact O-N 3.33Š| ||
| 274 | S | 29.1 | Very low | 33 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -68.5 | 141.9 | -173.5 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 275 | F | 28.5 | Very low | 34 | Very low | 206 Ų | 206 | 152.7 Ų | 152.7 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -130.8 | 146.2 | 151.8 | -78.2 | -78.9 | 0 | 0 | 0 | 110.8 | ||||
| 276 | I | 33.1 | Very low | 34.6 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -87 | 143.6 | -174.3 | -69.6 | 171.9 | 0 | 0 | 0 | 108.9 | S278 | I276-S278 PolarHBondContact O-N 3.13Š|
| 277 | P | 32.7 | Very low | 34.7 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.9 | -169.4 | 26.5 | -36.1 | 0 | 0 | 0 | 113.7 | ||
| 278 | S | 29.3 | Very low | 35.4 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82 | 141.7 | 161.1 | 54 | 0 | 0 | 0 | 0 | 110.8 | I276 G280 | I276-S278 PolarHBondContact O-N 3.13Å; S278-G280 PolarHBondContact O-N 3.25Å |
| 279 | S | 44.2 | Very low | 36 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.9 | -175.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 280 | G | 40.7 | Very low | 36.5 | Very low | 56 Ų | 56 | 139 Ų | 139 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | trans | -143.4 | 163.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S278 | S278-G280 PolarHBondContact O-N 3.25Š| ||
| 281 | P | 35.5 | Very low | 37 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 142.1 | 176.3 | 28 | -34.3 | 0 | 0 | 0 | 110.7 | D283 | P281-D283 PolarHBondContact O-N 2.86Š| ||
| 282 | L | 36 | Very low | 38 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 117 | -179.3 | -107.1 | 72.2 | 0 | 0 | 0 | 111.1 | L284 | L282-L284 HydrophobicContact CB-CD2 4.27Å; L282-L284 HydrophobicContact CD2-CD2 4.16Å; L282-L284 PolarHBondContact O-N 3.4Å; L282-L284 VanDerWaalsContact O-N 3.14Å | ||
| 283 | D | 41 | Very low | 38.7 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 49% | 0.492 | 76% | 0.761 | S | S | . | * | trans | -76.8 | 96.4 | 164.9 | -176.3 | 7.3 | 0 | 0 | 0 | 110.1 | P281 T285 H286 | P281-D283 PolarHBondContact O-N 2.86Å; D283-T285 PolarHBondContact O-N 2.86Å; D283-T285 WeakPolarHBondContact OD1-CB 3.27Å; D283-T285 PolarHBondContact OD1-N 3.18Å; D283-T285 PolarHBondContact OD1-OG1 3.43Å; D283-H286 IonicContact OD2-CD2 3.32Å; D283-H286 PolarHBondContact OD2-CD2 3.44Å; D283-H286 IonicContact OD2-NE2 3.78Å | ||
| 284 | L | 43.2 | Very low | 39.2 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 52% | 0.518 | 74% | 0.743 | S | S | . | * | G | 310 helix | trans | -70.2 | -12.4 | 178.9 | -62 | 175.9 | 0 | 0 | 0 | 113.1 | L282 H286 L287 | L282-L284 HydrophobicContact CB-CD2 4.27Å; L282-L284 HydrophobicContact CD2-CD2 4.16Å; L282-L284 PolarHBondContact O-N 3.4Å; L282-L284 VanDerWaalsContact O-N 3.14Å; L284-H286 PolarHBondContact O-N 2.85Å; L284-L287 HydrophobicContact CD2-CD1 3.78Å; L284-L287 WeakPolarHBondContact O-CB 3.46Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-L287 VanDerWaalsContact O-N 3.08Å |
| 285 | T | 50.3 | Low | 39.5 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -60.2 | -30.9 | -179.3 | -41.8 | 0 | 0 | 0 | 0 | 112 | D283 | D283-T285 PolarHBondContact O-N 2.86Å; D283-T285 WeakPolarHBondContact OD1-CB 3.27Å; D283-T285 PolarHBondContact OD1-N 3.18Å; D283-T285 PolarHBondContact OD1-OG1 3.43Å |
| 286 | H | 42.1 | Very low | 40 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -84.6 | -7.9 | 179.4 | -73.4 | -66.9 | 0 | 0 | 0 | 114.9 | D283 L284 L288 A289 | D283-H286 IonicContact OD2-CD2 3.32Å; D283-H286 PolarHBondContact OD2-CD2 3.44Å; D283-H286 IonicContact OD2-NE2 3.78Å; L284-H286 PolarHBondContact O-N 2.85Å; H286-L288 VanDerWaalsContact C-N 3.31Å; H286-L288 PolarHBondContact O-N 3.05Å; H286-A289 PolarHBondContact O-N 2.81Å |
| 287 | L | 41.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -19.8 | -168.3 | -143.9 | 146.2 | 0 | 0 | 0 | 113.4 | L284 | L284-L287 HydrophobicContact CD2-CD1 3.78Å; L284-L287 WeakPolarHBondContact O-CB 3.46Å; L284-L287 PolarHBondContact O-N 2.94Å; L284-L287 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 44.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -13.8 | 174.9 | -64.3 | 174.8 | 0 | 0 | 0 | 114 | H286 K290 | H286-L288 VanDerWaalsContact C-N 3.31Å; H286-L288 PolarHBondContact O-N 3.05Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.89Å |
| 289 | A | 40.3 | Very low | 41.9 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 5.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | H286 | H286-A289 PolarHBondContact O-N 2.81Š|
| 290 | K | 38 | Very low | 42.3 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 18.7 | -172.1 | -73.2 | -168.3 | 176.4 | -179.5 | 0 | 116.3 | L288 R292 | L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.89Å; K290-R292 PolarHBondContact O-N 3.21Å |
| 291 | H | 39 | Very low | 42.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | trans | -86.9 | 103.8 | 168.8 | -152.3 | -100 | 0 | 0 | 0 | 111.4 | S294 | H291-S294 PolarHBondContact ND1-OG 2.91Š| ||
| 292 | R | 47.9 | Very low | 43.4 | Very low | 233 Ų | 233 | 135.1 Ų | 135.1 | 88% | 0.879 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 132.6 | 173.1 | -91.7 | -175.9 | 166.5 | -174.1 | -3 | 109.8 | K290 | K290-R292 PolarHBondContact O-N 3.21Š|
| 293 | R | 45.1 | Very low | 44.1 | Very low | 254 Ų | 254 | 137.3 Ų | 137.3 | 96% | 0.958 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72 | 50.7 | 172.6 | -53.1 | -178.2 | 176.8 | -176.1 | -0.8 | 116.6 | ||
| 294 | S | 41.1 | Very low | 44.4 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 50% | 0.497 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -142.7 | 128 | 157.4 | 46 | 0 | 0 | 0 | 0 | 108.3 | H291 | H291-S294 PolarHBondContact ND1-OG 2.91Š|
| 295 | D | 36 | Very low | 44.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | -60.8 | 125.1 | 178.2 | -101.3 | -45.2 | 0 | 0 | 0 | 110.2 | S297 | D295-S297 PolarHBondContact O-N 3.18Š| ||
| 296 | P | 39.3 | Very low | 44.7 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -80.1 | 85.3 | -179.3 | 32.5 | -33.7 | 0 | 0 | 0 | 109.8 | P298 | P296-P298 WeakPolarHBondContact O-CD 3.14Š| ||
| 297 | S | 39.7 | Very low | 44.8 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | trans | -58.4 | 119.8 | 162.6 | 50.7 | 0 | 0 | 0 | 0 | 108.5 | D295 L299 | D295-S297 PolarHBondContact O-N 3.18Å; S297-L299 VanDerWaalsContact C-N 3.32Å; S297-L299 PolarHBondContact O-N 3.29Å | ||
| 298 | P | 43 | Very low | 45.2 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 51% | 0.506 | 71% | 0.706 | S | S | . | * | trans | -81.3 | 79.4 | -165.4 | 31.3 | -35.6 | 0 | 0 | 0 | 111.3 | P296 I300 H301 | P296-P298 WeakPolarHBondContact O-CD 3.14Å; P298-I300 PolarHBondContact O-N 3.37Å; P298-H301 WeakPolarHBondContact CB-CE1 3.31Å; P298-H301 WeakPolarHBondContact CB-NE2 3.49Å; P298-H301 WeakPolarHBondContact CG-NE2 3.39Å | ||
| 299 | L | 51.2 | Low | 45.4 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -64 | 99.9 | 168.4 | -70.2 | 171.6 | 0 | 0 | 0 | 109.1 | S297 | S297-L299 VanDerWaalsContact C-N 3.32Å; S297-L299 PolarHBondContact O-N 3.29Å |
| 300 | I | 53.5 | Low | 45.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 65% | 0.646 | 70% | 0.698 | S | S | * | * | trans | 71 | 88.2 | -179.7 | -36.4 | 176.3 | 0 | 0 | 0 | 114.3 | L231 P298 L302 | L231-I300 HydrophobicContact CD2-CG2 4.02Å; P298-I300 PolarHBondContact O-N 3.37Å; I300-L302 VanDerWaalsContact C-N 3.26Å; I300-L302 HydrophobicContact CG2-CD2 3.76Å; I300-L302 HydrophobicContact CG2-CG 3.73Å; I300-L302 PolarHBondContact O-N 3Å | ||
| 301 | H | 46.7 | Very low | 46.5 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | trans | -70.5 | 75.9 | 161.6 | -79.3 | -49.9 | 0 | 0 | 0 | 111.8 | P298 R303 | P298-H301 WeakPolarHBondContact CB-CE1 3.31Å; P298-H301 WeakPolarHBondContact CB-NE2 3.49Å; P298-H301 WeakPolarHBondContact CG-NE2 3.39Å; H301-R303 PolarHBondContact O-N 2.74Å; H301-R303 VanDerWaalsContact O-N 3.07Å | ||
| 302 | L | 51.4 | Low | 47.5 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 60% | 0.597 | 66% | 0.663 | S | S | * | * | trans | -65.9 | 105 | 165.1 | -65.8 | 179 | 0 | 0 | 0 | 109.2 | C229 L231 I300 | C229-L302 HydrophobicContact CB-CD2 4.07Å; L231-L302 HydrophobicContact CD2-CD2 3.76Å; L231-L302 HydrophobicContact CG-CD2 4.21Å; I300-L302 VanDerWaalsContact C-N 3.26Å; I300-L302 HydrophobicContact CG2-CD2 3.76Å; I300-L302 HydrophobicContact CG2-CG 3.73Å; I300-L302 PolarHBondContact O-N 3Å | ||
| 303 | R | 52.2 | Low | 48.2 | Very low | 189 Ų | 189 | 121.7 Ų | 121.7 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | trans | -90.4 | 106.3 | 174.1 | -72.4 | -168.8 | 178.1 | -162.9 | 0.3 | 108.9 | C229 H301 R305 | C229-R303 PolarHBondContact O-N 3.13Å; H301-R303 PolarHBondContact O-N 2.74Å; H301-R303 VanDerWaalsContact O-N 3.07Å; R303-R305 PolarHBondContact O-N 2.82Å | ||
| 304 | R | 47.6 | Very low | 49.6 | Very low | 207 Ų | 207 | 111.7 Ų | 111.7 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | trans | -56.6 | 110.6 | 169.1 | 178 | 178.3 | 164.3 | 150.3 | 1.3 | 108.9 | D306 | R304-D306 IonicContact CZ-OD1 2.77Å; R304-D306 IonicContact CZ-OD2 3.38Å; R304-D306 VanDerWaalsContact NE-CG 3.3Å; R304-D306 IonicContact NE-OD1 2.73Å; R304-D306 PolarHBondContact NE-OD1 2.66Å; R304-D306 IonicContact NE-OD2 3.48Å; R304-D306 PolarHBondContact NE-OD2 2.85Å; R304-D306 VanDerWaalsContact NE-OD2 3.08Å; R304-D306 IonicContact NH2-OD1 3.29Å; R304-D306 PolarHBondContact NH2-OD1 2.92Å | ||
| 305 | R | 52.9 | Low | 51.7 | Low | 167 Ų | 167 | 109.3 Ų | 109.3 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | trans | -97.5 | 91.7 | 177.6 | -171.6 | 178.7 | -171.5 | 160.6 | 5.7 | 109 | R303 T307 | R303-R305 PolarHBondContact O-N 2.82Å; R305-T307 WeakPolarHBondContact CG-OG1 3.22Å; R305-T307 PolarHBondContact NE-OG1 3.05Å; R305-T307 PolarHBondContact O-N 2.88Å | ||
| 306 | D | 44.9 | Very low | 54.4 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 60% | 0.599 | 56% | 0.556 | S | S | * | * | trans | -65.2 | -3 | -176 | -79.3 | -70.7 | 0 | 0 | 0 | 115.3 | R304 V308 | R304-D306 IonicContact CZ-OD1 2.77Å; R304-D306 IonicContact CZ-OD2 3.38Å; R304-D306 VanDerWaalsContact NE-CG 3.3Å; R304-D306 IonicContact NE-OD1 2.73Å; R304-D306 PolarHBondContact NE-OD1 2.66Å; R304-D306 IonicContact NE-OD2 3.48Å; R304-D306 PolarHBondContact NE-OD2 2.85Å; R304-D306 VanDerWaalsContact NE-OD2 3.08Å; R304-D306 IonicContact NH2-OD1 3.29Å; R304-D306 PolarHBondContact NH2-OD1 2.92Å; D306-V308 PolarHBondContact O-N 3.32Å | ||
| 307 | T | 45.9 | Very low | 57 | Low | 88 Ų | 88 | 97 Ų | 97 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | trans | -84.8 | 74.2 | 168.2 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | R305 T309 | R305-T307 WeakPolarHBondContact CG-OG1 3.22Å; R305-T307 PolarHBondContact NE-OG1 3.05Å; R305-T307 PolarHBondContact O-N 2.88Å; T307-T309 PolarHBondContact O-N 3.2Å | ||
| 308 | V | 49.8 | Very low | 59.8 | Low | 120 Ų | 120 | 92.7 Ų | 92.7 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | trans | -64.1 | 112.5 | 155.5 | 175.9 | 0 | 0 | 0 | 0 | 106.2 | D306 | D306-V308 PolarHBondContact O-N 3.32Š| ||
| 309 | T | 48.6 | Very low | 62.3 | Low | 64 Ų | 64 | 89 Ų | 89 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | trans | -78.3 | 129.7 | 179.6 | 70 | 0 | 0 | 0 | 0 | 108.7 | T307 S311 D314 | T307-T309 PolarHBondContact O-N 3.2Å; T309-S311 PolarHBondContact O-N 3.39Å; T309-S311 PolarHBondContact OG1-OG 2.89Å; T309-D314 WeakPolarHBondContact CA-OD2 3.4Å; T309-D314 WeakPolarHBondContact CB-OD2 3.41Å; T309-D314 PolarHBondContact N-OD2 3.23Å; T309-D314 PolarHBondContact OG1-OD2 3.14Å | ||
| 310 | G | 48.2 | Very low | 64.5 | Low | 93 Ų | 93 | 81.4 Ų | 81.4 | 96% | 0.959 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 18.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 311 | S | 53.2 | Low | 66.5 | Low | 64 Ų | 64 | 75.4 Ų | 75.4 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -12.3 | -173.7 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | T309 Q313 | T309-S311 PolarHBondContact O-N 3.39Å; T309-S311 PolarHBondContact OG1-OG 2.89Å; S311-Q313 PolarHBondContact O-N 3.27Å; S311-Q313 WeakPolarHBondContact OG-CG 3.32Å; S311-Q313 PolarHBondContact OG-N 3.27Å |
| 312 | G | 59.3 | Low | 68.8 | Low | 37 Ų | 37 | 69.6 Ų | 69.6 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 71.7 | 0.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D314 S315 H317 | G312-D314 VanDerWaalsContact C-N 3.27Å; G312-S315 PolarHBondContact O-OG 3.04Å; G312-H317 PolarHBondContact O-NE2 2.89Å |
| 313 | Q | 61.6 | Low | 70.7 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 55% | 0.547 | 35% | 0.346 | S | S | . | . | trans | -70.5 | -27.6 | 172.8 | -56.9 | -53.8 | -41.2 | 0 | 0 | 111.9 | S311 S315 | S311-Q313 PolarHBondContact O-N 3.27Å; S311-Q313 WeakPolarHBondContact OG-CG 3.32Å; S311-Q313 PolarHBondContact OG-N 3.27Å; Q313-S315 PolarHBondContact O-N 3.14Å | ||
| 314 | D | 74.7 | Confident | 72.4 | Confident | 45 Ų | 45 | 62 Ų | 62 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -81.6 | 42.3 | 179.6 | -59.2 | -37.5 | 0 | 0 | 0 | 112.3 | L223 L228 T309 G312 | L223-D314 WeakPolarHBondContact CD1-O 3.45Å; L228-D314 HydrophobicContact CD2-CB 3.94Å; T309-D314 WeakPolarHBondContact CA-OD2 3.4Å; T309-D314 WeakPolarHBondContact CB-OD2 3.41Å; T309-D314 PolarHBondContact N-OD2 3.23Å; T309-D314 PolarHBondContact OG1-OD2 3.14Å; G312-D314 VanDerWaalsContact C-N 3.27Å |
| 315 | S | 85.6 | Confident | 74.1 | Confident | 20 Ų | 20 | 64 Ų | 64 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -143.4 | 158.6 | 177.9 | 64 | 0 | 0 | 0 | 0 | 112.5 | L223 G312 Q313 H317 S334 | L223-S315 VanDerWaalsContact CD1-CA 3.41Å; G312-S315 PolarHBondContact O-OG 3.04Å; Q313-S315 PolarHBondContact O-N 3.14Å; S315-H317 PolarHBondContact O-CE1 3.41Å; S315-H317 PolarHBondContact O-ND1 3.38Å; S315-H317 PolarHBondContact O-NE2 2.92Å; S315-H317 PolarHBondContact OG-NE2 2.93Å; S315-S334 WeakPolarHBondContact OG-CB 3.22Å |
| 316 | S | 92.8 | Very high | 75.8 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 149.7 | 160.6 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | T221 L223 S334 I335 I338 L339 | T221-S316 WeakPolarHBondContact O-CA 3.46Å; T221-S316 VanDerWaalsContact O-CB 3.26Å; T221-S316 WeakPolarHBondContact O-CB 3.42Å; L223-S316 PolarHBondContact N-OG 3.02Å; S316-S334 CarbonylContact O-C 3.55Å; S316-S334 WeakPolarHBondContact O-CA 3.36Å; S316-I335 PolarHBondContact O-N 2.82Å; S316-I338 VanDerWaalsContact CB-O 3.24Å; S316-I338 WeakPolarHBondContact CB-O 3.35Å; S316-I338 PolarHBondContact OG-O 3.2Å; S316-L339 PolarHBondContact OG-O 3.21Å; S316-L339 VanDerWaalsContact OG-O 3.12Å |
| 317 | H | 95.3 | Very high | 77.9 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 6% | 0.06 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.5 | -176.3 | -58.4 | 117.9 | 0 | 0 | 0 | 113.7 | A220 T221 G312 S315 V319 K332 V333 I335 | A220-H317 WeakPolarHBondContact CA-O 3.44Å; T221-H317 PolarHBondContact N-O 3.01Å; T221-H317 PolarHBondContact O-N 2.98Å; T221-H317 PolarHBondContact OG1-N 3.09Å; G312-H317 PolarHBondContact O-NE2 2.89Å; S315-H317 PolarHBondContact O-CE1 3.41Å; S315-H317 PolarHBondContact O-ND1 3.38Å; S315-H317 PolarHBondContact O-NE2 2.92Å; S315-H317 PolarHBondContact OG-NE2 2.93Å; H317-V319 HydrophobicContact CB-CG2 4.02Å; H317-K332 HydrophobicContact CB-CG 4.26Å; H317-K332 VanDerWaalsContact CD2-CE 3.49Å; H317-K332 WeakPolarHBondContact CD2-CE 3.44Å; H317-K332 VanDerWaalsContact CE1-CE 3.48Å; H317-K332 WeakPolarHBondContact CE1-CE 3.24Å; H317-K332 WeakPolarHBondContact ND1-CE 3.43Å; H317-K332 PolarHBondContact ND1-NZ 2.82Å; H317-K332 VanDerWaalsContact ND1-NZ 3.14Å; H317-V333 CarbonylContact C-O 3.54Å; H317-V333 VanDerWaalsContact CA-O 3.25Å; H317-V333 WeakPolarHBondContact CA-O 3.41Å; H317-I335 VanDerWaalsContact C-CD1 3.45Å |
| 318 | L | 97.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.2 | 162.4 | -179.8 | 65.8 | 0 | 0 | 0 | 108 | A218 K332 V333 I335 V353 V355 Y366 M373 | A218-L318 HydrophobicContact CB-CD1 4.28Å; L318-K332 WeakPolarHBondContact O-CA 3.4Å; L318-V333 HydrophobicContact CB-CG1 3.99Å; L318-V333 PolarHBondContact N-O 2.82Å; L318-V333 PolarHBondContact O-N 2.8Å; L318-I335 HydrophobicContact CB-CD1 3.93Å; L318-I335 HydrophobicContact CB-CG1 4.05Å; L318-V353 HydrophobicContact CD1-CG1 4.31Å; L318-V353 HydrophobicContact CD2-CB 4.25Å; L318-V353 HydrophobicContact CD2-CG1 3.96Å; L318-V355 HydrophobicContact CD1-CG2 4Å; L318-V355 HydrophobicContact CD2-CG2 3.91Å; L318-V355 HydrophobicContact CG-CG2 4.45Å; L318-Y366 HydrophobicContact CD2-CD2 3.95Å; L318-Y366 HydrophobicContact CD2-CE2 4.4Å; L318-Y366 HydrophobicContact CD2-CG 4.08Å; L318-M373 HydrophobicContact CB-CE 4.09Å; L318-M373 HydrophobicContact CD2-CE 3.75Å; L318-M373 HydrophobicContact CD2-SD 3.9Å; L318-M373 HydrophobicContact CG-CE 3.65Å; L318-M373 HydrophobicContact CG-SD 4.34Å; L318-M373 WeakPolarHBondContact O-CE 3.34Å |
| 319 | V | 96.4 | Very high | 82 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.9 | -171.3 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | V202 A218 V219 H317 V321 M329 R331 K332 | V202-V319 HydrophobicContact CG1-CB 4.12Å; V202-V319 HydrophobicContact CG1-CG1 4.12Å; V202-V319 HydrophobicContact CG1-CG2 3.91Å; A218-V319 CarbonylContact C-O 3.59Å; A218-V319 WeakPolarHBondContact CA-O 3.07Å; V219-V319 HydrophobicContact CB-CB 4.38Å; V219-V319 PolarHBondContact N-O 2.8Å; V219-V319 PolarHBondContact O-N 2.81Å; H317-V319 HydrophobicContact CB-CG2 4.02Å; V319-V321 HydrophobicContact CG1-CG2 4.1Å; V319-M329 HydrophobicContact CG1-CG 3.54Å; V319-M329 HydrophobicContact CG1-SD 3.62Å; V319-R331 CarbonylContact C-O 3.58Å; V319-R331 WeakPolarHBondContact CA-O 3.34Å; V319-K332 HydrophobicContact CG2-CB 4.43Å; V319-K332 HydrophobicContact CG2-CD 4.23Å; V319-K332 HydrophobicContact CG2-CG 4.06Å |
| 320 | L | 96.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.1 | 172.7 | -68.4 | 175.8 | 0 | 0 | 0 | 110.4 | T212 V217 A218 T330 R331 I368 M373 | T212-L320 HydrophobicContact CG2-CD2 4.16Å; V217-L320 WeakPolarHBondContact O-CA 3.22Å; A218-L320 HydrophobicContact CB-CD2 3.88Å; L320-T330 WeakPolarHBondContact CB-OG1 3.38Å; L320-T330 PolarHBondContact O-N 2.64Å; L320-T330 PolarHBondContact O-OG1 2.85Å; L320-T330 VanDerWaalsContact O-OG1 3.1Å; L320-R331 HydrophobicContact CB-CB 4.34Å; L320-R331 HydrophobicContact CD1-CB 4.1Å; L320-R331 HydrophobicContact CD1-CG 4.14Å; L320-R331 HydrophobicContact CG-CB 4.45Å; L320-R331 PolarHBondContact N-O 2.95Å; L320-I368 HydrophobicContact CD1-CD1 3.86Å; L320-I368 HydrophobicContact CD1-CG1 4.07Å; L320-I368 HydrophobicContact CD1-CG2 3.66Å; L320-I368 HydrophobicContact CD2-CD1 3.85Å; L320-M373 HydrophobicContact CD1-SD 3.8Å; L320-M373 HydrophobicContact CG-CE 4.26Å; L320-M373 HydrophobicContact CG-SD 3.98Å |
| 321 | V | 96.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.1 | -179.7 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | L179 F200 Q216 V217 V219 V319 Y323 V327 T328 | L179-V321 HydrophobicContact CD1-CB 4.04Å; L179-V321 HydrophobicContact CD1-CG1 4.04Å; L179-V321 HydrophobicContact CD1-CG2 3.89Å; F200-V321 HydrophobicContact CD1-CG1 3.93Å; F200-V321 HydrophobicContact CD1-CG2 4.4Å; F200-V321 HydrophobicContact CE1-CG1 3.92Å; F200-V321 HydrophobicContact CE1-CG2 3.96Å; Q216-V321 WeakPolarHBondContact CA-O 3.37Å; Q216-V321 WeakPolarHBondContact CG-O 3.11Å; V217-V321 HydrophobicContact CG2-CB 4.1Å; V217-V321 PolarHBondContact N-O 2.95Å; V217-V321 PolarHBondContact O-N 3.22Å; V219-V321 HydrophobicContact CG2-CG2 4.3Å; V319-V321 HydrophobicContact CG1-CG2 4.1Å; V321-Y323 HydrophobicContact CG1-CE2 3.98Å; V321-V327 HydrophobicContact CG1-CG1 3.44Å; V321-V327 VanDerWaalsContact CG1-CG1 3.44Å; V321-T328 WeakPolarHBondContact CA-O 3.4Å |
| 322 | T | 94.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.3 | -178.4 | -64 | 0 | 0 | 0 | 0 | 110.8 | Q216 E324 V327 T328 T330 | Q216-T322 PolarHBondContact NE2-OG1 2.77Å; T322-E324 HydrophobicContact CG2-CB 4.38Å; T322-E324 HydrophobicContact CG2-CG 3.67Å; T322-E324 WeakPolarHBondContact CG2-OE1 3.03Å; T322-V327 VanDerWaalsContact O-CA 3.29Å; T322-V327 WeakPolarHBondContact O-CA 3.5Å; T322-T328 PolarHBondContact N-O 3.3Å; T322-T328 PolarHBondContact O-N 2.97Å; T322-T330 WeakPolarHBondContact OG1-CG2 3.46Å |
| 323 | Y | 92 | Very high | 89.3 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 57.5 | -175.5 | -69.6 | -89.4 | 0 | 0 | 0 | 113 | V172 L179 S181 A215 V217 V321 V327 | V172-Y323 HydrophobicContact CG1-CE2 4.47Å; V172-Y323 WeakPolarHBondContact CG1-OH 3.44Å; V172-Y323 HydrophobicContact CG2-CE2 3.83Å; L179-Y323 VanDerWaalsContact CB-OH 3.29Å; L179-Y323 WeakPolarHBondContact CB-OH 3.43Å; L179-Y323 WeakPolarHBondContact CD1-OH 3.44Å; S181-Y323 WeakPolarHBondContact OG-CE1 3.47Å; A215-Y323 PolarHBondContact O-N 2.98Å; V217-Y323 HydrophobicContact CG1-CE2 4.5Å; V217-Y323 HydrophobicContact CG2-CE2 3.96Å; V321-Y323 HydrophobicContact CG1-CE2 3.98Å; Y323-V327 HydrophobicContact CD1-CB 4.42Å; Y323-V327 HydrophobicContact CD1-CG1 4.08Å; Y323-V327 HydrophobicContact CD1-CG2 3.46Å; Y323-V327 VanDerWaalsContact CD1-CG2 3.46Å; Y323-V327 HydrophobicContact CE1-CG1 3.92Å; Y323-V327 HydrophobicContact CE1-CG2 3.74Å; Y323-V327 HydrophobicContact CG-CG2 4.38Å |
| 324 | E | 87.4 | Confident | 90.9 | Very high | 136 Ų | 136 | 50.7 Ų | 50.7 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -84.2 | -141.1 | 175 | -73.5 | 169.2 | -151.2 | 0 | 0 | 111.2 | F196 T322 K326 | F196-E324 WeakPolarHBondContact CZ-O 3.31Å; T322-E324 HydrophobicContact CG2-CB 4.38Å; T322-E324 HydrophobicContact CG2-CG 3.67Å; T322-E324 WeakPolarHBondContact CG2-OE1 3.03Å; E324-K326 PolarHBondContact N-O 2.94Å; E324-K326 PolarHBondContact O-N 3.45Å; E324-K326 VanDerWaalsContact O-N 3.11Å |
| 325 | R | 83.4 | Confident | 91.8 | Very high | 250 Ų | 250 | 48.8 Ų | 48.8 | 94% | 0.943 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -61.2 | -15.3 | 174.4 | -59.5 | -177 | -176.5 | -177.3 | 1.6 | 113.8 | ||
| 326 | K | 87.5 | Confident | 92.1 | Very high | 143 Ų | 143 | 51.3 Ų | 51.3 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -146.2 | 154.3 | 172.1 | 52.3 | 168.8 | 179.2 | 176.8 | 0 | 108 | E324 T328 | E324-K326 PolarHBondContact N-O 2.94Å; E324-K326 PolarHBondContact O-N 3.45Å; E324-K326 VanDerWaalsContact O-N 3.11Å; K326-T328 HydrophobicContact CD-CG2 3.87Å; K326-T328 HydrophobicContact CG-CG2 4.07Å |
| 327 | V | 90.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.2 | 171.1 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | F196 C197 F200 V321 T322 Y323 | F196-V327 HydrophobicContact CE2-CG2 3.78Å; F196-V327 HydrophobicContact CZ-CG2 4.26Å; C197-V327 HydrophobicContact CB-CB 4.45Å; C197-V327 HydrophobicContact CB-CG2 3.68Å; C197-V327 VanDerWaalsContact SG-CG2 3.57Å; F200-V327 HydrophobicContact CB-CG1 4Å; F200-V327 HydrophobicContact CD1-CG1 4.09Å; F200-V327 HydrophobicContact CD2-CB 3.75Å; F200-V327 HydrophobicContact CD2-CG1 3.41Å; F200-V327 VanDerWaalsContact CD2-CG1 3.41Å; F200-V327 HydrophobicContact CE1-CG1 4.45Å; F200-V327 HydrophobicContact CE2-CB 4.22Å; F200-V327 HydrophobicContact CE2-CG1 3.83Å; F200-V327 HydrophobicContact CG-CB 4.29Å; F200-V327 HydrophobicContact CG-CG1 3.56Å; F200-V327 HydrophobicContact CZ-CG1 4.33Å; V321-V327 HydrophobicContact CG1-CG1 3.44Å; V321-V327 VanDerWaalsContact CG1-CG1 3.44Å; T322-V327 VanDerWaalsContact O-CA 3.29Å; T322-V327 WeakPolarHBondContact O-CA 3.5Å; Y323-V327 HydrophobicContact CD1-CB 4.42Å; Y323-V327 HydrophobicContact CD1-CG1 4.08Å; Y323-V327 HydrophobicContact CD1-CG2 3.46Å; Y323-V327 VanDerWaalsContact CD1-CG2 3.46Å; Y323-V327 HydrophobicContact CE1-CG1 3.92Å; Y323-V327 HydrophobicContact CE1-CG2 3.74Å; Y323-V327 HydrophobicContact CG-CG2 4.38Å |
| 328 | T | 90.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.4 | 179.5 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | V321 T322 K326 T330 | V321-T328 WeakPolarHBondContact CA-O 3.4Å; T322-T328 PolarHBondContact N-O 3.3Å; T322-T328 PolarHBondContact O-N 2.97Å; K326-T328 HydrophobicContact CD-CG2 3.87Å; K326-T328 HydrophobicContact CG-CG2 4.07Å; T328-T330 PolarHBondContact O-N 2.86Å |
| 329 | M | 91.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 114 | 156.4 | 178.8 | 174.1 | 74.5 | 0 | 0 | 107.4 | F200 V319 K332 | F200-M329 HydrophobicContact CZ-CB 4.13Å; V319-M329 HydrophobicContact CG1-CG 3.54Å; V319-M329 HydrophobicContact CG1-SD 3.62Å; M329-K332 HydrophobicContact CE-CB 4.4Å; M329-K332 HydrophobicContact CE-CD 4.38Å; M329-K332 HydrophobicContact SD-CB 3.88Å; M329-K332 HydrophobicContact SD-CD 3.89Å; M329-K332 HydrophobicContact SD-CG 4.45Å |
| 330 | T | 85.1 | Confident | 91.3 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 36% | 0.362 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -35.2 | -176.9 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | Q216 L320 T322 T328 | Q216-T330 PolarHBondContact NE2-OG1 2.98Å; L320-T330 WeakPolarHBondContact CB-OG1 3.38Å; L320-T330 PolarHBondContact O-N 2.64Å; L320-T330 PolarHBondContact O-OG1 2.85Å; L320-T330 VanDerWaalsContact O-OG1 3.1Å; T322-T330 WeakPolarHBondContact OG1-CG2 3.46Å; T328-T330 PolarHBondContact O-N 2.86Å |
| 331 | R | 89.6 | Confident | 91.3 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147 | 176.9 | -53.5 | -172.3 | -174.4 | 82.3 | 9.2 | 109.9 | V319 L320 I368 T369 P370 M373 | V319-R331 CarbonylContact C-O 3.58Å; V319-R331 WeakPolarHBondContact CA-O 3.34Å; L320-R331 HydrophobicContact CB-CB 4.34Å; L320-R331 HydrophobicContact CD1-CB 4.1Å; L320-R331 HydrophobicContact CD1-CG 4.14Å; L320-R331 HydrophobicContact CG-CB 4.45Å; L320-R331 PolarHBondContact N-O 2.95Å; R331-I368 VanDerWaalsContact NH1-CG2 3.28Å; R331-T369 PolarHBondContact NE-O 3.3Å; R331-T369 PolarHBondContact NH2-O 3.46Å; R331-T369 VanDerWaalsContact NH2-O 3.09Å; R331-P370 PolarHBondContact NH2-O 3.22Å; R331-M373 HydrophobicContact CB-CE 4.38Å |
| 332 | K | 93.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 130 | 172.3 | 176.2 | 165 | -173.5 | 174.3 | 0 | 108.5 | H317 L318 V319 M329 | H317-K332 HydrophobicContact CB-CG 4.26Å; H317-K332 VanDerWaalsContact CD2-CE 3.49Å; H317-K332 WeakPolarHBondContact CD2-CE 3.44Å; H317-K332 VanDerWaalsContact CE1-CE 3.48Å; H317-K332 WeakPolarHBondContact CE1-CE 3.24Å; H317-K332 WeakPolarHBondContact ND1-CE 3.43Å; H317-K332 PolarHBondContact ND1-NZ 2.82Å; H317-K332 VanDerWaalsContact ND1-NZ 3.14Å; L318-K332 WeakPolarHBondContact O-CA 3.4Å; V319-K332 HydrophobicContact CG2-CB 4.43Å; V319-K332 HydrophobicContact CG2-CD 4.23Å; V319-K332 HydrophobicContact CG2-CG 4.06Å; M329-K332 HydrophobicContact CE-CB 4.4Å; M329-K332 HydrophobicContact CE-CD 4.38Å; M329-K332 HydrophobicContact SD-CB 3.88Å; M329-K332 HydrophobicContact SD-CD 3.89Å; M329-K332 HydrophobicContact SD-CG 4.45Å |
| 333 | V | 94.6 | Very high | 91.4 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.7 | 177.5 | 73.3 | 0 | 0 | 0 | 0 | 110.1 | H317 L318 Y366 M373 | H317-V333 CarbonylContact C-O 3.54Å; H317-V333 VanDerWaalsContact CA-O 3.25Å; H317-V333 WeakPolarHBondContact CA-O 3.41Å; L318-V333 HydrophobicContact CB-CG1 3.99Å; L318-V333 PolarHBondContact N-O 2.82Å; L318-V333 PolarHBondContact O-N 2.8Å; V333-Y366 HydrophobicContact CG1-CD1 4.05Å; V333-Y366 HydrophobicContact CG1-CE1 3.7Å; V333-Y366 HydrophobicContact CG2-CE1 4.34Å; V333-M373 HydrophobicContact CB-CE 4.4Å; V333-M373 HydrophobicContact CG1-CE 3.65Å; V333-M373 HydrophobicContact CG1-CG 4.46Å |
| 334 | S | 93.6 | Very high | 91.6 | Very high | 58 Ų | 58 | 60.4 Ų | 60.4 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.9 | 174.5 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | S315 S316 P336 Y366 | S315-S334 WeakPolarHBondContact OG-CB 3.22Å; S316-S334 CarbonylContact O-C 3.55Å; S316-S334 WeakPolarHBondContact O-CA 3.36Å; S334-P336 WeakPolarHBondContact O-CD 3.15Å; S334-Y366 PolarHBondContact O-OH 2.93Å |
| 335 | I | 94.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 94.8 | 173.7 | -47.7 | 179.9 | 0 | 0 | 0 | 108.7 | A220 S316 H317 L318 I338 P341 V355 L364 Y366 | A220-I335 HydrophobicContact CB-CD1 4.5Å; S316-I335 PolarHBondContact O-N 2.82Å; H317-I335 VanDerWaalsContact C-CD1 3.45Å; L318-I335 HydrophobicContact CB-CD1 3.93Å; L318-I335 HydrophobicContact CB-CG1 4.05Å; I335-I338 HydrophobicContact CG2-CB 3.88Å; I335-I338 HydrophobicContact CG2-CD1 4.19Å; I335-I338 HydrophobicContact CG2-CG1 4.27Å; I335-P341 HydrophobicContact CD1-CB 3.93Å; I335-P341 HydrophobicContact CD1-CG 3.97Å; I335-V355 HydrophobicContact CD1-CG1 4.07Å; I335-L364 HydrophobicContact CG2-CD1 3.73Å; I335-Y366 WeakPolarHBondContact CA-OH 3.49Å |
| 336 | P | 90.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 142.2 | -178.7 | 27.8 | -34.5 | 0 | 0 | 0 | 111.2 | S334 I338 M362 L364 | S334-P336 WeakPolarHBondContact O-CD 3.15Å; P336-I338 PolarHBondContact O-N 3Å; P336-I338 VanDerWaalsContact O-N 3.09Å; P336-M362 WeakPolarHBondContact O-CE 3.41Å; P336-L364 HydrophobicContact CG-CD1 4.06Å; P336-L364 WeakPolarHBondContact O-CD1 3.32Å |
| 337 | G | 88.2 | Confident | 93.1 | Very high | 61 Ų | 61 | 37 Ų | 37 | 63% | 0.629 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 6.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | C360 | G337-C360 PolarHBondContact O-SG 3.33Š|
| 338 | I | 92.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -125.7 | 102.9 | 177.3 | -54.9 | -176.5 | 0 | 0 | 0 | 109.4 | S316 I335 P336 P341 M362 L364 | S316-I338 VanDerWaalsContact CB-O 3.24Å; S316-I338 WeakPolarHBondContact CB-O 3.35Å; S316-I338 PolarHBondContact OG-O 3.2Å; I335-I338 HydrophobicContact CG2-CB 3.88Å; I335-I338 HydrophobicContact CG2-CD1 4.19Å; I335-I338 HydrophobicContact CG2-CG1 4.27Å; P336-I338 PolarHBondContact O-N 3Å; P336-I338 VanDerWaalsContact O-N 3.09Å; I338-P341 HydrophobicContact CG2-CB 4.03Å; I338-M362 HydrophobicContact CD1-CE 4.13Å; I338-M362 HydrophobicContact CG1-CE 3.69Å; I338-L364 HydrophobicContact CD1-CD1 4.01Å; I338-L364 HydrophobicContact CD1-CG 4.14Å; I338-L364 HydrophobicContact CG1-CD1 4.45Å | ||
| 339 | L | 91.6 | Very high | 93.1 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 53% | 0.534 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -72.6 | -36.8 | -174.8 | -51.2 | 179.5 | 0 | 0 | 0 | 113.6 | E222 L223 S316 | E222-L339 VanDerWaalsContact CA-O 3.3Å; E222-L339 WeakPolarHBondContact CA-O 3.43Å; E222-L339 WeakPolarHBondContact CB-O 3.41Å; L223-L339 HydrophobicContact CD2-CD2 3.73Å; L223-L339 PolarHBondContact N-O 3.13Å; S316-L339 PolarHBondContact OG-O 3.21Å; S316-L339 VanDerWaalsContact OG-O 3.12Å |
| 340 | V | 93.5 | Very high | 93 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 29% | 0.291 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -132.6 | 87.5 | -177.8 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | C207 E222 D342 S357 | C207-V340 HydrophobicContact CB-CG1 4.43Å; E222-V340 HydrophobicContact CB-CG2 4.27Å; V340-D342 VanDerWaalsContact C-N 3.32Å; V340-D342 PolarHBondContact O-N 3.42Å; V340-S357 WeakPolarHBondContact O-CB 3.33Å; V340-S357 PolarHBondContact O-OG 3.21Å |
| 341 | P | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -76 | 77.9 | -175.6 | 32.5 | -37.6 | 0 | 0 | 0 | 111.6 | C207 A220 T221 I335 I338 V355 A356 | C207-P341 HydrophobicContact CB-CG 4.44Å; C207-P341 WeakPolarHBondContact CB-O 3.49Å; A220-P341 HydrophobicContact CB-CB 3.86Å; A220-P341 HydrophobicContact CB-CG 3.68Å; T221-P341 WeakPolarHBondContact O-CG 3.29Å; I335-P341 HydrophobicContact CD1-CB 3.93Å; I335-P341 HydrophobicContact CD1-CG 3.97Å; I338-P341 HydrophobicContact CG2-CB 4.03Å; P341-V355 HydrophobicContact CB-CG1 3.65Å; P341-A356 CarbonylContact C-O 3.52Å; P341-A356 WeakPolarHBondContact CA-O 3.22Å | ||
| 342 | D | 95.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | trans | -91.2 | 7.4 | -172.8 | 73.7 | -0.9 | 0 | 0 | 0 | 115.3 | S11 G12 V340 A356 S357 N358 | S11-D342 WeakPolarHBondContact CA-OD2 3.39Å; S11-D342 VanDerWaalsContact CB-OD2 3.23Å; S11-D342 WeakPolarHBondContact CB-OD2 3.48Å; G12-D342 PolarHBondContact N-OD2 2.77Å; V340-D342 VanDerWaalsContact C-N 3.32Å; V340-D342 PolarHBondContact O-N 3.42Å; D342-A356 PolarHBondContact N-O 2.9Å; D342-S357 VanDerWaalsContact OD1-CA 3.3Å; D342-S357 WeakPolarHBondContact OD1-CA 3.45Å; D342-N358 VanDerWaalsContact CG-ND2 3.3Å; D342-N358 PolarHBondContact OD1-N 3.31Å; D342-N358 PolarHBondContact OD1-ND2 3.09Å; D342-N358 WeakPolarHBondContact OD2-CB 3.43Å; D342-N358 PolarHBondContact OD2-ND2 2.82Å | ||
| 343 | I | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.8 | 170.4 | -66.7 | 174.5 | 0 | 0 | 0 | 108.8 | N14 V355 A356 N358 P387 V390 | N14-I343 HydrophobicContact CB-CG1 4.27Å; N14-I343 HydrophobicContact CB-CG2 4.03Å; I343-V355 WeakPolarHBondContact O-CA 3.4Å; I343-A356 HydrophobicContact CB-CB 4.02Å; I343-A356 HydrophobicContact CD1-CB 4.48Å; I343-A356 HydrophobicContact CG2-CB 4.15Å; I343-A356 PolarHBondContact N-O 3.33Å; I343-A356 PolarHBondContact O-N 2.89Å; I343-N358 WeakPolarHBondContact CD1-ND2 3.43Å; I343-N358 WeakPolarHBondContact CG1-ND2 3.4Å; I343-P387 HydrophobicContact CD1-CB 4.34Å; I343-P387 HydrophobicContact CD1-CG 4.49Å; I343-P387 WeakPolarHBondContact CD1-O 3.22Å; I343-V390 HydrophobicContact CG2-CB 3.89Å; I343-V390 HydrophobicContact CG2-CG2 3.72Å |
| 344 | V | 97.4 | Very high | 94 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 149.6 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | N14 A208 E210 A220 V353 A354 V355 | N14-V344 PolarHBondContact ND2-O 3.27Å; A208-V344 HydrophobicContact CB-CB 4.47Å; A208-V344 HydrophobicContact CB-CG2 3.84Å; E210-V344 HydrophobicContact CB-CB 4.08Å; E210-V344 HydrophobicContact CB-CG1 3.6Å; E210-V344 HydrophobicContact CG-CG1 4.26Å; A220-V344 HydrophobicContact CB-CG2 3.69Å; V344-V353 HydrophobicContact CG1-CG1 3.75Å; V344-A354 CarbonylContact C-O 3.55Å; V344-A354 WeakPolarHBondContact CA-O 3.29Å; V344-V355 HydrophobicContact CG2-CG1 4.33Å; V344-V355 HydrophobicContact CG2-CG2 4.49Å |
| 345 | A | 97 | Very high | 94.2 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 153.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V353 A354 V390 F392 | A345-V353 CarbonylContact O-C 3.56Å; A345-V353 WeakPolarHBondContact O-CA 3.45Å; A345-A354 PolarHBondContact N-O 2.91Å; A345-A354 PolarHBondContact O-N 2.93Å; A345-V390 HydrophobicContact CB-CG1 4.24Å; A345-V390 WeakPolarHBondContact CB-O 3.33Å; A345-F392 HydrophobicContact CB-CD2 4.28Å; A345-F392 HydrophobicContact CB-CE2 4.16Å |
| 346 | F | 96.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.8 | -178.4 | 172 | -107.5 | 0 | 0 | 0 | 112.3 | E210 A211 T212 P348 T352 V353 I368 | E210-F346 HydrophobicContact CG-CB 3.9Å; A211-F346 WeakPolarHBondContact O-CD1 3.4Å; T212-F346 HydrophobicContact CG2-CB 4.3Å; T212-F346 HydrophobicContact CG2-CD1 4.23Å; T212-F346 HydrophobicContact CG2-CD2 3.76Å; T212-F346 HydrophobicContact CG2-CE2 4.06Å; T212-F346 HydrophobicContact CG2-CG 3.83Å; T212-F346 HydrophobicContact CG2-CZ 4.42Å; T212-F346 WeakPolarHBondContact O-CE1 3.48Å; F346-P348 HydrophobicContact CE1-CB 3.83Å; F346-P348 HydrophobicContact CZ-CB 4.45Å; F346-T352 WeakPolarHBondContact CA-O 3.41Å; F346-T352 WeakPolarHBondContact CD2-O 3.45Å; F346-V353 HydrophobicContact CD2-CG2 3.76Å; F346-V353 HydrophobicContact CE2-CG2 4.49Å; F346-I368 HydrophobicContact CD2-CD1 4.31Å; F346-I368 HydrophobicContact CE2-CD1 3.83Å |
| 347 | D | 94.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.2 | 167.8 | -178.1 | 64.3 | 0 | 0 | 0 | 111.7 | R349 A350 S351 T352 F392 | D347-R349 VanDerWaalsContact C-N 3.3Å; D347-R349 PolarHBondContact O-N 2.89Å; D347-R349 IonicContact OD1-CZ 3.99Å; D347-R349 IonicContact OD1-NE 3.17Å; D347-R349 PolarHBondContact OD1-NE 2.93Å; D347-R349 IonicContact OD1-NH2 2.7Å; D347-R349 PolarHBondContact OD1-NH2 3.4Å; D347-R349 WeakPolarHBondContact OD2-CA 3.45Å; D347-R349 VanDerWaalsContact OD2-CB 3.27Å; D347-R349 WeakPolarHBondContact OD2-CB 3.46Å; D347-R349 PolarHBondContact OD2-N 2.89Å; D347-R349 IonicContact OD2-NE 3.08Å; D347-A350 PolarHBondContact OD2-N 2.87Å; D347-S351 WeakPolarHBondContact O-CA 3.34Å; D347-S351 PolarHBondContact O-N 2.95Å; D347-T352 PolarHBondContact N-O 2.88Å; D347-T352 PolarHBondContact O-N 3.01Å; D347-F392 HydrophobicContact CB-CB 3.8Å; D347-F392 HydrophobicContact CB-CD1 3.7Å; D347-F392 HydrophobicContact CB-CD2 3.96Å; D347-F392 HydrophobicContact CB-CE1 4.14Å; D347-F392 HydrophobicContact CB-CE2 4.39Å; D347-F392 HydrophobicContact CB-CG 3.59Å; D347-F392 HydrophobicContact CB-CZ 4.47Å |
| 348 | P | 90.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 24 Ų | 24 | 54% | 0.539 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.4 | 179.3 | 30.1 | -35.3 | 0 | 0 | 0 | 114.4 | F346 | F346-P348 HydrophobicContact CE1-CB 3.83Å; F346-P348 HydrophobicContact CZ-CB 4.45Å |
| 349 | R | 90.8 | Very high | 94.7 | Very high | 145 Ų | 145 | 27.8 Ų | 27.8 | 55% | 0.547 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -48.2 | -176.5 | -59.9 | 161.5 | -74.5 | -161 | -5.7 | 111.1 | D347 L393 D395 | D347-R349 VanDerWaalsContact C-N 3.3Å; D347-R349 PolarHBondContact O-N 2.89Å; D347-R349 IonicContact OD1-CZ 3.99Å; D347-R349 IonicContact OD1-NE 3.17Å; D347-R349 PolarHBondContact OD1-NE 2.93Å; D347-R349 IonicContact OD1-NH2 2.7Å; D347-R349 PolarHBondContact OD1-NH2 3.4Å; D347-R349 WeakPolarHBondContact OD2-CA 3.45Å; D347-R349 VanDerWaalsContact OD2-CB 3.27Å; D347-R349 WeakPolarHBondContact OD2-CB 3.46Å; D347-R349 PolarHBondContact OD2-N 2.89Å; D347-R349 IonicContact OD2-NE 3.08Å; R349-L393 PolarHBondContact NH1-O 2.75Å; R349-L393 PolarHBondContact NH2-O 3.13Å; R349-D395 HydrophobicContact CB-CB 4.5Å |
| 350 | A | 90.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 24 Ų | 24 | 20% | 0.198 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D347 T352 D395 Y432 | D347-A350 PolarHBondContact OD2-N 2.87Å; A350-T352 HydrophobicContact CB-CG2 3.97Å; A350-T352 PolarHBondContact O-N 3.11Å; A350-D395 HydrophobicContact CB-CB 4.14Å; A350-Y432 HydrophobicContact CB-CE1 4.46Å; A350-Y432 WeakPolarHBondContact CB-OH 3.24Å |
| 351 | S | 93.4 | Very high | 94.7 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 34% | 0.343 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.3 | -171.1 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | D347 I368 | D347-S351 WeakPolarHBondContact O-CA 3.34Å; D347-S351 PolarHBondContact O-N 2.95Å; S351-I368 WeakPolarHBondContact O-CB 3.4Å; S351-I368 WeakPolarHBondContact O-CG1 3.29Å; S351-I368 PolarHBondContact O-N 3.12Å |
| 352 | T | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.4 | -177.8 | 47 | 0 | 0 | 0 | 0 | 112.4 | F346 D347 A350 Y366 C367 I376 F392 Y432 | F346-T352 WeakPolarHBondContact CA-O 3.41Å; F346-T352 WeakPolarHBondContact CD2-O 3.45Å; D347-T352 PolarHBondContact N-O 2.88Å; D347-T352 PolarHBondContact O-N 3.01Å; A350-T352 HydrophobicContact CB-CG2 3.97Å; A350-T352 PolarHBondContact O-N 3.11Å; T352-Y366 CarbonylContact C-O 3.58Å; T352-Y366 WeakPolarHBondContact CA-O 3.36Å; T352-Y366 WeakPolarHBondContact CB-O 3.19Å; T352-C367 HydrophobicContact CG2-CB 4.19Å; T352-I376 HydrophobicContact CG2-CD1 3.83Å; T352-F392 WeakPolarHBondContact OG1-CE1 3.43Å; T352-Y432 HydrophobicContact CG2-CE1 4.02Å; T352-Y432 WeakPolarHBondContact CG2-OH 3.41Å |
| 353 | V | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.2 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | T212 L318 V344 A345 F346 V355 V365 Y366 I368 | T212-V353 HydrophobicContact CG2-CG2 4.47Å; L318-V353 HydrophobicContact CD1-CG1 4.31Å; L318-V353 HydrophobicContact CD2-CB 4.25Å; L318-V353 HydrophobicContact CD2-CG1 3.96Å; V344-V353 HydrophobicContact CG1-CG1 3.75Å; A345-V353 CarbonylContact O-C 3.56Å; A345-V353 WeakPolarHBondContact O-CA 3.45Å; F346-V353 HydrophobicContact CD2-CG2 3.76Å; F346-V353 HydrophobicContact CE2-CG2 4.49Å; V353-V355 HydrophobicContact CG1-CG2 3.84Å; V353-V365 WeakPolarHBondContact O-CA 3.48Å; V353-Y366 PolarHBondContact N-O 2.95Å; V353-Y366 PolarHBondContact O-N 2.92Å; V353-I368 HydrophobicContact CG2-CD1 3.74Å; V353-I368 HydrophobicContact CG2-CG1 4.03Å |
| 354 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V344 A345 V363 L364 V390 F392 L398 | V344-A354 CarbonylContact C-O 3.55Å; V344-A354 WeakPolarHBondContact CA-O 3.29Å; A345-A354 PolarHBondContact N-O 2.91Å; A345-A354 PolarHBondContact O-N 2.93Å; A354-V363 HydrophobicContact CB-CG1 4.3Å; A354-L364 WeakPolarHBondContact CA-O 3.21Å; A354-V390 HydrophobicContact CB-CG1 3.73Å; A354-F392 HydrophobicContact CB-CE2 3.72Å; A354-F392 HydrophobicContact CB-CZ 3.66Å; A354-L398 HydrophobicContact CB-CD1 4.06Å; A354-L398 HydrophobicContact CB-CD2 4.34Å |
| 355 | V | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.4 | 175.1 | -169 | 0 | 0 | 0 | 0 | 109.7 | A220 L318 I335 P341 I343 V344 V353 L364 Y366 | A220-V355 HydrophobicContact CB-CG1 4.5Å; L318-V355 HydrophobicContact CD1-CG2 4Å; L318-V355 HydrophobicContact CD2-CG2 3.91Å; L318-V355 HydrophobicContact CG-CG2 4.45Å; I335-V355 HydrophobicContact CD1-CG1 4.07Å; P341-V355 HydrophobicContact CB-CG1 3.65Å; I343-V355 WeakPolarHBondContact O-CA 3.4Å; V344-V355 HydrophobicContact CG2-CG1 4.33Å; V344-V355 HydrophobicContact CG2-CG2 4.49Å; V353-V355 HydrophobicContact CG1-CG2 3.84Å; V355-L364 PolarHBondContact N-O 3.19Å; V355-L364 PolarHBondContact O-N 2.85Å; V355-Y366 HydrophobicContact CG2-CD2 4.35Å; V355-Y366 HydrophobicContact CG2-CE2 4.37Å |
| 356 | A | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | P341 D342 I343 V363 P387 V390 | P341-A356 CarbonylContact C-O 3.52Å; P341-A356 WeakPolarHBondContact CA-O 3.22Å; D342-A356 PolarHBondContact N-O 2.9Å; I343-A356 HydrophobicContact CB-CB 4.02Å; I343-A356 HydrophobicContact CD1-CB 4.48Å; I343-A356 HydrophobicContact CG2-CB 4.15Å; I343-A356 PolarHBondContact N-O 3.33Å; I343-A356 PolarHBondContact O-N 2.89Å; A356-V363 HydrophobicContact CB-CB 4.32Å; A356-V363 HydrophobicContact CB-CG1 4.24Å; A356-V363 HydrophobicContact CB-CG2 3.89Å; A356-P387 HydrophobicContact CB-CB 4.28Å; A356-P387 HydrophobicContact CB-CG 3.8Å; A356-V390 HydrophobicContact CB-CG2 4.25Å |
| 357 | S | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -135.7 | 137 | 165.3 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | V340 D342 T359 C360 P387 | V340-S357 WeakPolarHBondContact O-CB 3.33Å; V340-S357 PolarHBondContact O-OG 3.21Å; D342-S357 VanDerWaalsContact OD1-CA 3.3Å; D342-S357 WeakPolarHBondContact OD1-CA 3.45Å; S357-T359 PolarHBondContact O-N 2.8Å; S357-T359 PolarHBondContact OG-N 3.08Å; S357-T359 PolarHBondContact OG-OG1 2.94Å; S357-C360 PolarHBondContact O-N 3.31Å; S357-C360 VanDerWaalsContact O-N 3.09Å; S357-P387 WeakPolarHBondContact O-CD 3.25Å; S357-P387 WeakPolarHBondContact O-CG 3.33Å | ||
| 358 | N | 94.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -17.2 | 169.5 | -77.8 | -89 | 0 | 0 | 0 | 113.8 | R10 L13 D342 I343 R386 P387 K388 | R10-N358 WeakPolarHBondContact O-CB 3.36Å; L13-N358 PolarHBondContact O-ND2 3.02Å; L13-N358 PolarHBondContact O-OD1 3.1Å; D342-N358 VanDerWaalsContact CG-ND2 3.3Å; D342-N358 PolarHBondContact OD1-N 3.31Å; D342-N358 PolarHBondContact OD1-ND2 3.09Å; D342-N358 WeakPolarHBondContact OD2-CB 3.43Å; D342-N358 PolarHBondContact OD2-ND2 2.82Å; I343-N358 WeakPolarHBondContact CD1-ND2 3.43Å; I343-N358 WeakPolarHBondContact CG1-ND2 3.4Å; N358-R386 WeakPolarHBondContact O-CB 3.31Å; N358-R386 WeakPolarHBondContact O-CG 3.42Å; N358-P387 WeakPolarHBondContact CA-O 3.34Å; N358-P387 PolarHBondContact OD1-O 2.62Å; N358-K388 WeakPolarHBondContact OD1-CE 3.3Å; N358-K388 PolarHBondContact OD1-NZ 3.38Å |
| 359 | T | 90.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 22.8 Ų | 22.8 | 50% | 0.497 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -15.3 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | S357 R386 | S357-T359 PolarHBondContact O-N 2.8Å; S357-T359 PolarHBondContact OG-N 3.08Å; S357-T359 PolarHBondContact OG-OG1 2.94Å; T359-R386 VanDerWaalsContact C-CD 3.49Å; T359-R386 WeakPolarHBondContact O-CD 3.45Å; T359-R386 PolarHBondContact O-NE 2.81Å |
| 360 | C | 91.7 | Very high | 94.2 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -107.2 | 153.7 | 179.9 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | G337 S357 M362 R386 P387 | G337-C360 PolarHBondContact O-SG 3.33Å; S357-C360 PolarHBondContact O-N 3.31Å; S357-C360 VanDerWaalsContact O-N 3.09Å; C360-M362 VanDerWaalsContact C-N 3.26Å; C360-M362 PolarHBondContact O-N 2.83Å; C360-R386 WeakPolarHBondContact O-CD 3.49Å; C360-P387 WeakPolarHBondContact O-CD 3.49Å |
| 361 | N | 93.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 26 Ų | 26 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -89.7 | 25.6 | 176.5 | 68.4 | -62.4 | 0 | 0 | 0 | 112.9 | L381 E385 | N361-L381 HydrophobicContact CB-CB 4.32Å; N361-L381 PolarHBondContact ND2-O 2.74Å; N361-L381 WeakPolarHBondContact O-CB 3.17Å; N361-L381 PolarHBondContact O-N 2.9Å; N361-E385 WeakPolarHBondContact CB-O 3.48Å |
| 362 | M | 94.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 9% | 0.089 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144 | -170.8 | -171.9 | 166.7 | 68.7 | 0 | 0 | 112.5 | P336 I338 C360 L364 Q378 | P336-M362 WeakPolarHBondContact O-CE 3.41Å; I338-M362 HydrophobicContact CD1-CE 4.13Å; I338-M362 HydrophobicContact CG1-CE 3.69Å; C360-M362 VanDerWaalsContact C-N 3.26Å; C360-M362 PolarHBondContact O-N 2.83Å; M362-L364 HydrophobicContact CE-CD1 4.04Å; M362-L364 HydrophobicContact CE-CD2 4.15Å; M362-L364 HydrophobicContact CE-CG 4.11Å; M362-L364 HydrophobicContact CG-CD2 4.26Å; M362-L364 HydrophobicContact CG-CG 4.37Å; M362-L364 HydrophobicContact SD-CD2 4.04Å; M362-L364 HydrophobicContact SD-CG 4.48Å; M362-Q378 HydrophobicContact CG-CG 4.08Å; M362-Q378 VanDerWaalsContact SD-CD 3.53Å; M362-Q378 HydrophobicContact SD-CG 3.67Å; M362-Q378 PolarHBondContact SD-NE2 2.87Å |
| 363 | V | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.9 | 167.9 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | A354 A356 I379 P387 L398 L400 | A354-V363 HydrophobicContact CB-CG1 4.3Å; A356-V363 HydrophobicContact CB-CB 4.32Å; A356-V363 HydrophobicContact CB-CG1 4.24Å; A356-V363 HydrophobicContact CB-CG2 3.89Å; V363-I379 HydrophobicContact CB-CB 4.3Å; V363-I379 PolarHBondContact N-O 2.91Å; V363-I379 PolarHBondContact O-N 3.45Å; V363-P387 HydrophobicContact CG2-CB 4.23Å; V363-P387 HydrophobicContact CG2-CG 4.34Å; V363-L398 HydrophobicContact CG1-CD2 4.25Å; V363-L400 HydrophobicContact CG2-CD2 4.12Å |
| 364 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.4 | 178.2 | -67.4 | 176.8 | 0 | 0 | 0 | 109.5 | I335 P336 I338 A354 V355 M362 Y366 Q378 | I335-L364 HydrophobicContact CG2-CD1 3.73Å; P336-L364 HydrophobicContact CG-CD1 4.06Å; P336-L364 WeakPolarHBondContact O-CD1 3.32Å; I338-L364 HydrophobicContact CD1-CD1 4.01Å; I338-L364 HydrophobicContact CD1-CG 4.14Å; I338-L364 HydrophobicContact CG1-CD1 4.45Å; A354-L364 WeakPolarHBondContact CA-O 3.21Å; V355-L364 PolarHBondContact N-O 3.19Å; V355-L364 PolarHBondContact O-N 2.85Å; M362-L364 HydrophobicContact CE-CD1 4.04Å; M362-L364 HydrophobicContact CE-CD2 4.15Å; M362-L364 HydrophobicContact CE-CG 4.11Å; M362-L364 HydrophobicContact CG-CD2 4.26Å; M362-L364 HydrophobicContact CG-CG 4.37Å; M362-L364 HydrophobicContact SD-CD2 4.04Å; M362-L364 HydrophobicContact SD-CG 4.48Å; L364-Y366 HydrophobicContact CB-CD2 4.42Å; L364-Y366 HydrophobicContact CB-CE2 3.71Å; L364-Y366 HydrophobicContact CD1-CE2 4.47Å; L364-Q378 HydrophobicContact CD2-CB 3.8Å; L364-Q378 HydrophobicContact CD2-CG 3.73Å |
| 365 | V | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.3 | 178.6 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | V353 N375 I376 Q377 I379 L398 L430 | V353-V365 WeakPolarHBondContact O-CA 3.48Å; V365-N375 CarbonylContact O-C 3.59Å; V365-N375 WeakPolarHBondContact O-CA 3.38Å; V365-N375 PolarHBondContact O-ND2 3.43Å; V365-I376 HydrophobicContact CB-CG1 4.2Å; V365-I376 HydrophobicContact CG1-CD1 4Å; V365-I376 HydrophobicContact CG1-CG1 3.96Å; V365-I376 WeakPolarHBondContact O-CG1 3.31Å; V365-I376 PolarHBondContact O-N 2.81Å; V365-Q377 HydrophobicContact CB-CB 4.06Å; V365-Q377 HydrophobicContact CG2-CB 4.27Å; V365-Q377 PolarHBondContact N-O 2.84Å; V365-Q377 PolarHBondContact O-N 2.99Å; V365-I379 HydrophobicContact CG2-CD1 4.39Å; V365-L398 HydrophobicContact CG2-CD2 4.43Å; V365-L430 HydrophobicContact CG1-CD2 4.45Å; V365-L430 HydrophobicContact CG2-CD2 4.02Å |
| 366 | Y | 96.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144.8 | 178.2 | -64.4 | -98.2 | 0 | 0 | 0 | 110.1 | L318 V333 S334 I335 T352 V353 V355 L364 M373 P374 N375 | L318-Y366 HydrophobicContact CD2-CD2 3.95Å; L318-Y366 HydrophobicContact CD2-CE2 4.4Å; L318-Y366 HydrophobicContact CD2-CG 4.08Å; V333-Y366 HydrophobicContact CG1-CD1 4.05Å; V333-Y366 HydrophobicContact CG1-CE1 3.7Å; V333-Y366 HydrophobicContact CG2-CE1 4.34Å; S334-Y366 PolarHBondContact O-OH 2.93Å; I335-Y366 WeakPolarHBondContact CA-OH 3.49Å; T352-Y366 CarbonylContact C-O 3.58Å; T352-Y366 WeakPolarHBondContact CA-O 3.36Å; T352-Y366 WeakPolarHBondContact CB-O 3.19Å; V353-Y366 PolarHBondContact N-O 2.95Å; V353-Y366 PolarHBondContact O-N 2.92Å; V355-Y366 HydrophobicContact CG2-CD2 4.35Å; V355-Y366 HydrophobicContact CG2-CE2 4.37Å; L364-Y366 HydrophobicContact CB-CD2 4.42Å; L364-Y366 HydrophobicContact CB-CE2 3.71Å; L364-Y366 HydrophobicContact CD1-CE2 4.47Å; Y366-M373 HydrophobicContact CD1-CG 4.38Å; Y366-M373 WeakPolarHBondContact CD1-O 3.46Å; Y366-P374 VanDerWaalsContact CA-O 3.24Å; Y366-P374 WeakPolarHBondContact CA-O 3.34Å; Y366-N375 HydrophobicContact CD1-CB 4Å; Y366-N375 HydrophobicContact CE1-CB 3.86Å |
| 367 | C | 94.5 | Very high | 92.6 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.4 | 169.5 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | T352 T369 M373 P374 I376 | T352-C367 HydrophobicContact CG2-CB 4.19Å; C367-T369 PolarHBondContact O-N 3.1Å; C367-M373 WeakPolarHBondContact O-CA 3.39Å; C367-P374 PolarHBondContact N-O 3.3Å; C367-P374 WeakPolarHBondContact O-CD 3.29Å; C367-I376 HydrophobicContact CB-CD1 4.28Å; C367-I376 HydrophobicContact CB-CG2 3.76Å |
| 368 | I | 93.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -84.5 | 103.5 | 171.8 | -54.4 | 177.9 | 0 | 0 | 0 | 108.1 | T212 L320 R331 F346 S351 V353 M373 | T212-I368 HydrophobicContact CG2-CD1 4.09Å; L320-I368 HydrophobicContact CD1-CD1 3.86Å; L320-I368 HydrophobicContact CD1-CG1 4.07Å; L320-I368 HydrophobicContact CD1-CG2 3.66Å; L320-I368 HydrophobicContact CD2-CD1 3.85Å; R331-I368 VanDerWaalsContact NH1-CG2 3.28Å; F346-I368 HydrophobicContact CD2-CD1 4.31Å; F346-I368 HydrophobicContact CE2-CD1 3.83Å; S351-I368 WeakPolarHBondContact O-CB 3.4Å; S351-I368 WeakPolarHBondContact O-CG1 3.29Å; S351-I368 PolarHBondContact O-N 3.12Å; V353-I368 HydrophobicContact CG2-CD1 3.74Å; V353-I368 HydrophobicContact CG2-CG1 4.03Å; I368-M373 HydrophobicContact CG1-SD 4.04Å | ||
| 369 | T | 89.9 | Confident | 92.6 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 23% | 0.233 | 25% | 0.253 | C | S | . | . | trans | -100.2 | 166 | 172.7 | 79.3 | 0 | 0 | 0 | 0 | 110.3 | R331 C367 S371 A372 P374 | R331-T369 PolarHBondContact NE-O 3.3Å; R331-T369 PolarHBondContact NH2-O 3.46Å; R331-T369 VanDerWaalsContact NH2-O 3.09Å; C367-T369 PolarHBondContact O-N 3.1Å; T369-S371 VanDerWaalsContact C-N 3.27Å; T369-S371 PolarHBondContact O-N 3.06Å; T369-A372 PolarHBondContact N-O 3.05Å; T369-A372 VanDerWaalsContact O-O 3.13Å; T369-A372 PolarHBondContact OG1-N 2.95Å; T369-A372 PolarHBondContact OG1-O 2.93Å; T369-P374 HydrophobicContact CG2-CG 4.42Å | ||
| 370 | P | 84.8 | Confident | 92.8 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 80% | 0.799 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -55 | -41 | 177.5 | -28.7 | 36.9 | 0 | 0 | 0 | 113.3 | R331 | R331-P370 PolarHBondContact NH2-O 3.22Š|
| 371 | S | 84.2 | Confident | 92.9 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 80% | 0.797 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -96.3 | -25.4 | -174.8 | 51.9 | 0 | 0 | 0 | 0 | 115.2 | T369 | T369-S371 VanDerWaalsContact C-N 3.27Å; T369-S371 PolarHBondContact O-N 3.06Å |
| 372 | A | 88 | Confident | 92.9 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | trans | -147.1 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T369 | T369-A372 PolarHBondContact N-O 3.05Å; T369-A372 VanDerWaalsContact O-O 3.13Å; T369-A372 PolarHBondContact OG1-N 2.95Å; T369-A372 PolarHBondContact OG1-O 2.93Å | ||
| 373 | M | 92.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | trans | -134.3 | 66.5 | 169.9 | -168.3 | 156.4 | 64.1 | 0 | 0 | 109.9 | L318 L320 R331 V333 Y366 C367 I368 | L318-M373 HydrophobicContact CB-CE 4.09Å; L318-M373 HydrophobicContact CD2-CE 3.75Å; L318-M373 HydrophobicContact CD2-SD 3.9Å; L318-M373 HydrophobicContact CG-CE 3.65Å; L318-M373 HydrophobicContact CG-SD 4.34Å; L318-M373 WeakPolarHBondContact O-CE 3.34Å; L320-M373 HydrophobicContact CD1-SD 3.8Å; L320-M373 HydrophobicContact CG-CE 4.26Å; L320-M373 HydrophobicContact CG-SD 3.98Å; R331-M373 HydrophobicContact CB-CE 4.38Å; V333-M373 HydrophobicContact CB-CE 4.4Å; V333-M373 HydrophobicContact CG1-CE 3.65Å; V333-M373 HydrophobicContact CG1-CG 4.46Å; Y366-M373 HydrophobicContact CD1-CG 4.38Å; Y366-M373 WeakPolarHBondContact CD1-O 3.46Å; C367-M373 WeakPolarHBondContact O-CA 3.39Å; I368-M373 HydrophobicContact CG1-SD 4.04Å | ||
| 374 | P | 92 | Very high | 92 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | trans | -63.2 | 144.6 | -179.7 | 27.6 | -36.3 | 0 | 0 | 0 | 111.4 | Y366 C367 T369 I376 | Y366-P374 VanDerWaalsContact CA-O 3.24Å; Y366-P374 WeakPolarHBondContact CA-O 3.34Å; C367-P374 PolarHBondContact N-O 3.3Å; C367-P374 WeakPolarHBondContact O-CD 3.29Å; T369-P374 HydrophobicContact CG2-CG 4.42Å; P374-I376 HydrophobicContact CG-CG2 4.44Å | ||
| 375 | N | 92.4 | Very high | 91.9 | Very high | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 124.8 | 159.7 | -178.4 | -100.7 | 0 | 0 | 0 | 107.8 | V365 Y366 Q377 | V365-N375 CarbonylContact O-C 3.59Å; V365-N375 WeakPolarHBondContact O-CA 3.38Å; V365-N375 PolarHBondContact O-ND2 3.43Å; Y366-N375 HydrophobicContact CD1-CB 4Å; Y366-N375 HydrophobicContact CE1-CB 3.86Å; N375-Q377 PolarHBondContact ND2-O 2.81Å; N375-Q377 VanDerWaalsContact ND2-O 3.14Å; N375-Q377 PolarHBondContact OD1-O 3.28Å |
| 376 | I | 92.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -20.4 | 179.8 | 59.2 | 163.7 | 0 | 0 | 0 | 112.3 | T352 V365 C367 P374 Y432 | T352-I376 HydrophobicContact CG2-CD1 3.83Å; V365-I376 HydrophobicContact CB-CG1 4.2Å; V365-I376 HydrophobicContact CG1-CD1 4Å; V365-I376 HydrophobicContact CG1-CG1 3.96Å; V365-I376 WeakPolarHBondContact O-CG1 3.31Å; V365-I376 PolarHBondContact O-N 2.81Å; C367-I376 HydrophobicContact CB-CD1 4.28Å; C367-I376 HydrophobicContact CB-CG2 3.76Å; P374-I376 HydrophobicContact CG-CG2 4.44Å; I376-Y432 HydrophobicContact CD1-CD1 4.09Å; I376-Y432 HydrophobicContact CD1-CE1 3.68Å |
| 377 | Q | 93.9 | Very high | 91.8 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 145.5 | 179.2 | -148.3 | -176.6 | 21 | 0 | 0 | 111.9 | V365 N375 I379 E429 | V365-Q377 HydrophobicContact CB-CB 4.06Å; V365-Q377 HydrophobicContact CG2-CB 4.27Å; V365-Q377 PolarHBondContact N-O 2.84Å; V365-Q377 PolarHBondContact O-N 2.99Å; N375-Q377 PolarHBondContact ND2-O 2.81Å; N375-Q377 VanDerWaalsContact ND2-O 3.14Å; N375-Q377 PolarHBondContact OD1-O 3.28Å; Q377-I379 HydrophobicContact CG-CG1 4.44Å; Q377-E429 PolarHBondContact NE2-O 2.76Å; Q377-E429 VanDerWaalsContact NE2-O 3.1Å |
| 378 | Q | 94.7 | Very high | 91.9 | Very high | 121 Ų | 121 | 57 Ų | 57 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.6 | 169.9 | 174.6 | 175.2 | -25.5 | 0 | 0 | 109.1 | M362 L364 | M362-Q378 HydrophobicContact CG-CG 4.08Å; M362-Q378 VanDerWaalsContact SD-CD 3.53Å; M362-Q378 HydrophobicContact SD-CG 3.67Å; M362-Q378 PolarHBondContact SD-NE2 2.87Å; L364-Q378 HydrophobicContact CD2-CB 3.8Å; L364-Q378 HydrophobicContact CD2-CG 3.73Å |
| 379 | I | 95.1 | Very high | 92 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.3 | 179.6 | -55.7 | 172.5 | 0 | 0 | 0 | 108.2 | V363 V365 Q377 L398 L400 K428 L430 | V363-I379 HydrophobicContact CB-CB 4.3Å; V363-I379 PolarHBondContact N-O 2.91Å; V363-I379 PolarHBondContact O-N 3.45Å; V365-I379 HydrophobicContact CG2-CD1 4.39Å; Q377-I379 HydrophobicContact CG-CG1 4.44Å; I379-L398 HydrophobicContact CD1-CD2 3.94Å; I379-L400 HydrophobicContact CG2-CD1 4.36Å; I379-K428 HydrophobicContact CD1-CB 4.11Å; I379-K428 HydrophobicContact CD1-CG 4.43Å; I379-K428 HydrophobicContact CG2-CG 4.24Å; I379-L430 HydrophobicContact CD1-CD2 4.49Å |
| 380 | S | 94.7 | Very high | 92.4 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.4 | 173.7 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 381 | L | 94.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 168.9 | 169.8 | -54.2 | 179 | 0 | 0 | 0 | 110 | N361 E385 P387 L400 V402 I426 | N361-L381 HydrophobicContact CB-CB 4.32Å; N361-L381 PolarHBondContact ND2-O 2.74Å; N361-L381 WeakPolarHBondContact O-CB 3.17Å; N361-L381 PolarHBondContact O-N 2.9Å; L381-E385 HydrophobicContact CB-CB 4.07Å; L381-P387 HydrophobicContact CD1-CB 4.25Å; L381-P387 HydrophobicContact CD1-CG 4.42Å; L381-L400 HydrophobicContact CD2-CD1 4.42Å; L381-V402 HydrophobicContact CD1-CG1 4.19Å; L381-V402 HydrophobicContact CD1-CG2 3.94Å; L381-V402 HydrophobicContact CD2-CG2 4.11Å; L381-I426 HydrophobicContact CD2-CD1 4.2Å |
| 382 | Q | 92.1 | Very high | 93.4 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 52% | 0.523 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -62.7 | 153.4 | 176.1 | -59.3 | -170.8 | -9.3 | 0 | 0 | 111.4 | N384 E385 | Q382-N384 PolarHBondContact O-N 2.81Å; Q382-E385 HydrophobicContact CB-CB 4.3Å; Q382-E385 HydrophobicContact CB-CG 3.95Å; Q382-E385 PolarHBondContact N-OE2 2.85Å; Q382-E385 WeakPolarHBondContact O-CB 3.41Å; Q382-E385 PolarHBondContact O-N 3.47Å |
| 383 | Q | 86.1 | Confident | 93.6 | Very high | 157 Ų | 157 | 44.3 Ų | 44.3 | 73% | 0.734 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.9 | -173.6 | -168.2 | 173.2 | 6.5 | 0 | 0 | 114.3 | R386 | Q383-R386 PolarHBondContact O-NH1 3.15Å; Q383-R386 PolarHBondContact O-NH2 3.38Å |
| 384 | N | 88.1 | Confident | 93.5 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 9.6 | 178 | -63.9 | -18.3 | 0 | 0 | 0 | 113.6 | Q382 R404 Q405 | Q382-N384 PolarHBondContact O-N 2.81Å; N384-R404 WeakPolarHBondContact O-CA 3.49Å; N384-Q405 PolarHBondContact O-N 2.77Å |
| 385 | E | 93.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142.9 | 179 | -71.2 | -178.9 | 166.4 | 0 | 0 | 111.2 | N361 L381 Q382 V402 R404 R424 | N361-E385 WeakPolarHBondContact CB-O 3.48Å; L381-E385 HydrophobicContact CB-CB 4.07Å; Q382-E385 HydrophobicContact CB-CB 4.3Å; Q382-E385 HydrophobicContact CB-CG 3.95Å; Q382-E385 PolarHBondContact N-OE2 2.85Å; Q382-E385 WeakPolarHBondContact O-CB 3.41Å; Q382-E385 PolarHBondContact O-N 3.47Å; E385-V402 HydrophobicContact CB-CG1 3.65Å; E385-V402 HydrophobicContact CG-CG1 3.94Å; E385-R404 HydrophobicContact CG-CB 4.16Å; E385-R404 HydrophobicContact CG-CG 4.43Å; E385-R424 IonicContact OE1-CZ 3.64Å; E385-R424 IonicContact OE1-NE 2.85Å; E385-R424 PolarHBondContact OE1-NE 3.4Å; E385-R424 IonicContact OE1-NH1 3.02Å; E385-R424 IonicContact OE1-NH2 2.74Å; E385-R424 PolarHBondContact OE1-NH2 3.08Å; E385-R424 IonicContact OE2-CZ 2.65Å; E385-R424 IonicContact OE2-NH2 3.57Å; E385-R424 PolarHBondContact OE2-NH2 2.93Å |
| 386 | R | 94.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 18% | 0.177 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.6 | 176.3 | -62.7 | -62.4 | 177.8 | -81.1 | 1 | 110.8 | N358 T359 C360 Q383 K388 V402 G403 | N358-R386 WeakPolarHBondContact O-CB 3.31Å; N358-R386 WeakPolarHBondContact O-CG 3.42Å; T359-R386 VanDerWaalsContact C-CD 3.49Å; T359-R386 WeakPolarHBondContact O-CD 3.45Å; T359-R386 PolarHBondContact O-NE 2.81Å; C360-R386 WeakPolarHBondContact O-CD 3.49Å; Q383-R386 PolarHBondContact O-NH1 3.15Å; Q383-R386 PolarHBondContact O-NH2 3.38Å; R386-K388 PolarHBondContact O-N 3.36Å; R386-V402 WeakPolarHBondContact O-CA 3.19Å; R386-G403 PolarHBondContact N-O 3.11Å; R386-G403 PolarHBondContact O-N 2.89Å |
| 387 | P | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.9 | 169.8 | 30 | -28.1 | 0 | 0 | 0 | 108.1 | I343 A356 S357 N358 C360 V363 L381 V390 | I343-P387 HydrophobicContact CD1-CB 4.34Å; I343-P387 HydrophobicContact CD1-CG 4.49Å; I343-P387 WeakPolarHBondContact CD1-O 3.22Å; A356-P387 HydrophobicContact CB-CB 4.28Å; A356-P387 HydrophobicContact CB-CG 3.8Å; S357-P387 WeakPolarHBondContact O-CD 3.25Å; S357-P387 WeakPolarHBondContact O-CG 3.33Å; N358-P387 WeakPolarHBondContact CA-O 3.34Å; N358-P387 PolarHBondContact OD1-O 2.62Å; C360-P387 WeakPolarHBondContact O-CD 3.49Å; V363-P387 HydrophobicContact CG2-CB 4.23Å; V363-P387 HydrophobicContact CG2-CG 4.34Å; L381-P387 HydrophobicContact CD1-CB 4.25Å; L381-P387 HydrophobicContact CD1-CG 4.42Å; P387-V390 HydrophobicContact CB-CG2 4.36Å |
| 388 | K | 96.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -25.8 | 173.2 | -58.6 | -52.9 | -60.8 | 165.6 | 0 | 111.4 | L8 L9 R10 T15 N358 R386 M401 Y421 L423 | L8-K388 HydrophobicContact CD1-CB 4.31Å; L8-K388 HydrophobicContact CD1-CG 4.32Å; L9-K388 WeakPolarHBondContact O-CE 3.26Å; L9-K388 PolarHBondContact O-NZ 2.65Å; R10-K388 PolarHBondContact O-NZ 3.5Å; R10-K388 VanDerWaalsContact O-NZ 3.13Å; T15-K388 HydrophobicContact CG2-CB 4.47Å; T15-K388 WeakPolarHBondContact CG2-O 3.43Å; T15-K388 PolarHBondContact N-O 3.11Å; T15-K388 PolarHBondContact OG1-O 2.82Å; N358-K388 WeakPolarHBondContact OD1-CE 3.3Å; N358-K388 PolarHBondContact OD1-NZ 3.38Å; R386-K388 PolarHBondContact O-N 3.36Å; K388-M401 HydrophobicContact CB-CG 4.4Å; K388-M401 HydrophobicContact CB-SD 4.47Å; K388-M401 PolarHBondContact N-O 3.32Å; K388-Y421 HydrophobicContact CD-CD1 4.45Å; K388-Y421 HydrophobicContact CD-CE1 4.1Å; K388-L423 HydrophobicContact CG-CD2 4.36Å |
| 389 | G | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 153.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | N14 T15 M401 | N14-G389 WeakPolarHBondContact OD1-CA 3.27Å; T15-G389 PolarHBondContact OG1-N 3.23Å; G389-M401 PolarHBondContact N-O 3.2Å; G389-M401 PolarHBondContact O-N 2.88Å |
| 390 | V | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129 | -176.1 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | N14 I343 A345 A354 A356 P387 L398 L399 L400 | N14-V390 PolarHBondContact ND2-O 3.35Å; N14-V390 PolarHBondContact OD1-N 3.44Å; N14-V390 PolarHBondContact OD1-O 3.23Å; I343-V390 HydrophobicContact CG2-CB 3.89Å; I343-V390 HydrophobicContact CG2-CG2 3.72Å; A345-V390 HydrophobicContact CB-CG1 4.24Å; A345-V390 WeakPolarHBondContact CB-O 3.33Å; A354-V390 HydrophobicContact CB-CG1 3.73Å; A356-V390 HydrophobicContact CB-CG2 4.25Å; P387-V390 HydrophobicContact CB-CG2 4.36Å; V390-L398 HydrophobicContact CG1-CD1 3.74Å; V390-L398 HydrophobicContact CG1-CD2 4.1Å; V390-L398 HydrophobicContact CG1-CG 4.09Å; V390-L399 WeakPolarHBondContact CA-O 3.35Å; V390-L400 HydrophobicContact CB-CD2 4.27Å; V390-L400 HydrophobicContact CG1-CD2 3.99Å; V390-L400 HydrophobicContact CG2-CD2 3.73Å |
| 391 | C | 95.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 19% | 0.189 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 147.3 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | L16 I20 L399 | L16-C391 HydrophobicContact CB-CB 3.71Å; L16-C391 HydrophobicContact CD1-CB 4.39Å; I20-C391 HydrophobicContact CD1-CB 4.46Å; C391-L399 PolarHBondContact N-O 3.34Å; C391-L399 PolarHBondContact O-N 3.11Å |
| 392 | F | 95.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.5 | 177.3 | -66.5 | -102.1 | 0 | 0 | 0 | 110.8 | A345 D347 T352 A354 L398 L430 | A345-F392 HydrophobicContact CB-CD2 4.28Å; A345-F392 HydrophobicContact CB-CE2 4.16Å; D347-F392 HydrophobicContact CB-CB 3.8Å; D347-F392 HydrophobicContact CB-CD1 3.7Å; D347-F392 HydrophobicContact CB-CD2 3.96Å; D347-F392 HydrophobicContact CB-CE1 4.14Å; D347-F392 HydrophobicContact CB-CE2 4.39Å; D347-F392 HydrophobicContact CB-CG 3.59Å; D347-F392 HydrophobicContact CB-CZ 4.47Å; T352-F392 WeakPolarHBondContact OG1-CE1 3.43Å; A354-F392 HydrophobicContact CB-CE2 3.72Å; A354-F392 HydrophobicContact CB-CZ 3.66Å; F392-L398 HydrophobicContact CD1-CD1 3.7Å; F392-L398 HydrophobicContact CD2-CD1 3.85Å; F392-L398 HydrophobicContact CE1-CD1 3.76Å; F392-L398 HydrophobicContact CE2-CD1 3.88Å; F392-L398 HydrophobicContact CG-CD1 3.76Å; F392-L398 HydrophobicContact CZ-CD1 3.85Å; F392-L430 HydrophobicContact CD1-CD1 3.81Å; F392-L430 HydrophobicContact CE1-CD1 3.58Å |
| 393 | L | 92.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 14% | 0.141 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -47.6 | 174.1 | -60.8 | 179.9 | 0 | 0 | 0 | 110.5 | I20 L39 V46 R349 V397 L399 | I20-L393 HydrophobicContact CD1-CD2 3.46Å; I20-L393 VanDerWaalsContact CD1-CD2 3.46Å; L39-L393 HydrophobicContact CD2-CD2 3.97Å; V46-L393 HydrophobicContact CB-CD1 4.36Å; V46-L393 HydrophobicContact CG1-CD1 3.85Å; V46-L393 HydrophobicContact CG2-CD1 3.5Å; R349-L393 PolarHBondContact NH1-O 2.75Å; R349-L393 PolarHBondContact NH2-O 3.13Å; L393-V397 HydrophobicContact CB-CB 4.48Å; L393-V397 HydrophobicContact CB-CG1 4.41Å; L393-V397 HydrophobicContact CD1-CG1 4.27Å; L393-V397 PolarHBondContact N-O 3.48Å; L393-L399 HydrophobicContact CD1-CB 4Å; L393-L399 HydrophobicContact CD2-CB 4.35Å; L393-L399 HydrophobicContact CD2-CD2 4.31Å; L393-L399 HydrophobicContact CG-CB 3.96Å |
| 394 | S | 89.8 | Confident | 94.3 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 8% | 0.077 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 173.7 | 168.8 | 77.3 | 0 | 0 | 0 | 0 | 111.1 | K396 V397 | S394-K396 PolarHBondContact O-N 3.4Å; S394-K396 VanDerWaalsContact O-N 3.13Å; S394-K396 PolarHBondContact OG-N 2.82Å; S394-K396 VanDerWaalsContact OG-N 3.08Å; S394-V397 PolarHBondContact N-O 3.04Å; S394-V397 PolarHBondContact O-N 2.96Å; S394-V397 PolarHBondContact OG-N 2.64Å |
| 395 | D | 88.6 | Confident | 94.2 | Very high | 61 Ų | 61 | 22.8 Ų | 22.8 | 33% | 0.326 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -31.8 | 162.6 | 61.6 | -37.6 | 0 | 0 | 0 | 113.3 | R349 A350 Y432 | R349-D395 HydrophobicContact CB-CB 4.5Å; A350-D395 HydrophobicContact CB-CB 4.14Å; D395-Y432 VanDerWaalsContact O-CE2 3.28Å; D395-Y432 WeakPolarHBondContact O-CE2 3.32Å; D395-Y432 PolarHBondContact O-OH 2.95Å |
| 396 | K | 90.1 | Very high | 93.1 | Very high | 106 Ų | 106 | 29.3 Ų | 29.3 | 46% | 0.461 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -6.8 | -175.1 | -68.9 | 170.8 | -169.6 | -174.2 | 0 | 115.3 | S394 E429 L430 Y432 | S394-K396 PolarHBondContact O-N 3.4Å; S394-K396 VanDerWaalsContact O-N 3.13Å; S394-K396 PolarHBondContact OG-N 2.82Å; S394-K396 VanDerWaalsContact OG-N 3.08Å; K396-E429 CarbonylContact O-C 3.53Å; K396-E429 WeakPolarHBondContact O-CA 3.22Å; K396-L430 PolarHBondContact O-N 2.94Å; K396-Y432 HydrophobicContact CG-CD2 4.41Å; K396-Y432 HydrophobicContact CG-CE2 4.12Å |
| 397 | V | 93 | Very high | 91.6 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.4 | -172.4 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | F41 V46 L393 S394 | F41-V397 HydrophobicContact CE2-CB 4.28Å; F41-V397 HydrophobicContact CE2-CG1 4.44Å; F41-V397 HydrophobicContact CE2-CG2 4.11Å; F41-V397 HydrophobicContact CZ-CG2 4.21Å; V46-V397 HydrophobicContact CG2-CG1 3.75Å; L393-V397 HydrophobicContact CB-CB 4.48Å; L393-V397 HydrophobicContact CB-CG1 4.41Å; L393-V397 HydrophobicContact CD1-CG1 4.27Å; L393-V397 PolarHBondContact N-O 3.48Å; S394-V397 PolarHBondContact N-O 3.04Å; S394-V397 PolarHBondContact O-N 2.96Å; S394-V397 PolarHBondContact OG-N 2.64Å |
| 398 | L | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.1 | 174.1 | -165.6 | 71 | 0 | 0 | 0 | 110.1 | A354 V363 V365 I379 V390 F392 L400 S427 K428 L430 | A354-L398 HydrophobicContact CB-CD1 4.06Å; A354-L398 HydrophobicContact CB-CD2 4.34Å; V363-L398 HydrophobicContact CG1-CD2 4.25Å; V365-L398 HydrophobicContact CG2-CD2 4.43Å; I379-L398 HydrophobicContact CD1-CD2 3.94Å; V390-L398 HydrophobicContact CG1-CD1 3.74Å; V390-L398 HydrophobicContact CG1-CD2 4.1Å; V390-L398 HydrophobicContact CG1-CG 4.09Å; F392-L398 HydrophobicContact CD1-CD1 3.7Å; F392-L398 HydrophobicContact CD2-CD1 3.85Å; F392-L398 HydrophobicContact CE1-CD1 3.76Å; F392-L398 HydrophobicContact CE2-CD1 3.88Å; F392-L398 HydrophobicContact CG-CD1 3.76Å; F392-L398 HydrophobicContact CZ-CD1 3.85Å; L398-L400 HydrophobicContact CD2-CD2 3.8Å; L398-L400 HydrophobicContact CD2-CG 4.42Å; L398-L400 HydrophobicContact CG-CD2 4.08Å; L398-S427 CarbonylContact O-C 3.55Å; L398-S427 WeakPolarHBondContact O-CA 3.37Å; L398-K428 PolarHBondContact N-O 3.43Å; L398-K428 PolarHBondContact O-N 3.49Å; L398-L430 HydrophobicContact CB-CD1 4.47Å; L398-L430 HydrophobicContact CB-CD2 3.98Å; L398-L430 HydrophobicContact CB-CG 4.33Å; L398-L430 HydrophobicContact CD2-CD2 4.41Å |
| 399 | L | 96.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.2 | 170 | -175.8 | 67.7 | 0 | 0 | 0 | 109.7 | L16 I20 I26 F48 V390 C391 L393 L425 | L16-L399 HydrophobicContact CD1-CB 4.33Å; L16-L399 HydrophobicContact CD1-CD2 3.99Å; L16-L399 HydrophobicContact CD1-CG 3.82Å; L16-L399 HydrophobicContact CD2-CD2 4.44Å; I20-L399 HydrophobicContact CD1-CD2 3.99Å; I26-L399 HydrophobicContact CD1-CD2 3.74Å; F48-L399 HydrophobicContact CE1-CD1 4.33Å; F48-L399 HydrophobicContact CZ-CD1 3.95Å; V390-L399 WeakPolarHBondContact CA-O 3.35Å; C391-L399 PolarHBondContact N-O 3.34Å; C391-L399 PolarHBondContact O-N 3.11Å; L393-L399 HydrophobicContact CD1-CB 4Å; L393-L399 HydrophobicContact CD2-CB 4.35Å; L393-L399 HydrophobicContact CD2-CD2 4.31Å; L393-L399 HydrophobicContact CG-CB 3.96Å; L399-L425 HydrophobicContact CD1-CB 4.37Å; L399-L425 HydrophobicContact CD1-CD2 4.4Å; L399-L425 HydrophobicContact CD2-CD2 4.5Å; L399-L425 HydrophobicContact CG-CD2 4.46Å |
| 400 | L | 97.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.1 | 179.2 | -58 | 173.3 | 0 | 0 | 0 | 109.5 | V363 I379 L381 V390 L398 V402 L425 I426 K428 | V363-L400 HydrophobicContact CG2-CD2 4.12Å; I379-L400 HydrophobicContact CG2-CD1 4.36Å; L381-L400 HydrophobicContact CD2-CD1 4.42Å; V390-L400 HydrophobicContact CB-CD2 4.27Å; V390-L400 HydrophobicContact CG1-CD2 3.99Å; V390-L400 HydrophobicContact CG2-CD2 3.73Å; L398-L400 HydrophobicContact CD2-CD2 3.8Å; L398-L400 HydrophobicContact CD2-CG 4.42Å; L398-L400 HydrophobicContact CG-CD2 4.08Å; L400-V402 HydrophobicContact CB-CG2 4.06Å; L400-L425 WeakPolarHBondContact O-CA 3.42Å; L400-I426 HydrophobicContact CB-CD1 4.47Å; L400-I426 HydrophobicContact CB-CG1 3.81Å; L400-I426 HydrophobicContact CD1-CD1 4.23Å; L400-I426 HydrophobicContact CD1-CG1 4.26Å; L400-I426 PolarHBondContact N-O 3.11Å; L400-I426 PolarHBondContact O-N 3.42Å; L400-K428 HydrophobicContact CD1-CB 4.45Å; L400-K428 HydrophobicContact CD1-CG 3.82Å |
| 401 | M | 97.1 | Very high | 83.3 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116 | 161.3 | -173.6 | -176.9 | -67.2 | 0 | 0 | 107.5 | L3 T15 L16 W28 K388 G389 L423 L425 | L3-M401 HydrophobicContact CD1-CE 4.15Å; T15-M401 PolarHBondContact OG1-SD 2.85Å; L16-M401 HydrophobicContact CD1-CB 3.98Å; L16-M401 HydrophobicContact CD2-CB 4.33Å; L16-M401 HydrophobicContact CD2-CE 3.94Å; L16-M401 HydrophobicContact CG-CB 3.97Å; W28-M401 HydrophobicContact CB-CE 3.94Å; K388-M401 HydrophobicContact CB-CG 4.4Å; K388-M401 HydrophobicContact CB-SD 4.47Å; K388-M401 PolarHBondContact N-O 3.32Å; G389-M401 PolarHBondContact N-O 3.2Å; G389-M401 PolarHBondContact O-N 2.88Å; M401-L423 HydrophobicContact SD-CD1 4.13Å; M401-L425 HydrophobicContact CB-CD2 3.92Å; M401-L425 HydrophobicContact CE-CD2 4.23Å; M401-L425 HydrophobicContact CG-CD2 4.25Å |
| 402 | V | 96.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.3 | -176.8 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | L381 E385 R386 L400 L423 R424 I426 | L381-V402 HydrophobicContact CD1-CG1 4.19Å; L381-V402 HydrophobicContact CD1-CG2 3.94Å; L381-V402 HydrophobicContact CD2-CG2 4.11Å; E385-V402 HydrophobicContact CB-CG1 3.65Å; E385-V402 HydrophobicContact CG-CG1 3.94Å; R386-V402 WeakPolarHBondContact O-CA 3.19Å; L400-V402 HydrophobicContact CB-CG2 4.06Å; V402-L423 WeakPolarHBondContact O-CA 3.48Å; V402-R424 HydrophobicContact CB-CG 3.94Å; V402-R424 HydrophobicContact CG1-CG 4.49Å; V402-R424 PolarHBondContact N-O 3.26Å; V402-R424 PolarHBondContact O-N 3.38Å; V402-I426 HydrophobicContact CG2-CD1 3.82Å; V402-I426 HydrophobicContact CG2-CG1 4.06Å |
| 403 | G | 95.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R386 I422 | R386-G403 PolarHBondContact N-O 3.11Å; R386-G403 PolarHBondContact O-N 2.89Å; G403-I422 WeakPolarHBondContact CA-O 3.3Å |
| 404 | R | 93.8 | Very high | 78.3 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.5 | 169.3 | -178.5 | 172 | 171.4 | 169.4 | -3 | 109.6 | N384 E385 Y421 I422 | N384-R404 WeakPolarHBondContact O-CA 3.49Å; E385-R404 HydrophobicContact CG-CB 4.16Å; E385-R404 HydrophobicContact CG-CG 4.43Å; R404-Y421 CarbonylContact O-C 3.59Å; R404-Y421 WeakPolarHBondContact O-CA 3.11Å; R404-I422 PolarHBondContact N-O 3.19Å; R404-I422 PolarHBondContact O-N 3.38Å |
| 405 | Q | 86.6 | Confident | 77.1 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.4 | 172.6 | -78.5 | 163.7 | -38.7 | 0 | 0 | 109.8 | N384 D419 Y421 | N384-Q405 PolarHBondContact O-N 2.77Å; Q405-D419 PolarHBondContact NE2-OD2 2.54Å; Q405-Y421 HydrophobicContact CG-CD1 3.79Å; Q405-Y421 HydrophobicContact CG-CE1 3.52Å |
| 406 | K | 70.1 | Confident | 76.7 | Confident | 144 Ų | 144 | 72 Ų | 72 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -79.7 | -32.9 | 179.7 | -95.3 | -156.9 | 164.9 | -146.7 | 0 | 113.7 | I422 | K406-I422 HydrophobicContact CG-CD1 4.08Å; K406-I422 HydrophobicContact CG-CG1 4.12Å |
| 407 | T | 62.9 | Low | 76.6 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | trans | -143.4 | 111 | -173.7 | 43.2 | 0 | 0 | 0 | 0 | 108.1 | D409 | T407-D409 PolarHBondContact O-N 2.85Š| ||
| 408 | T | 57.1 | Low | 76.4 | Confident | 106 Ų | 106 | 71.6 Ų | 71.6 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | trans | -79.2 | 72.2 | 166.4 | -47.5 | 0 | 0 | 0 | 0 | 107.7 | P410 | T408-P410 WeakPolarHBondContact O-CD 3.24Š| ||
| 409 | D | 51.3 | Low | 76.2 | Confident | 115 Ų | 115 | 73.2 Ų | 73.2 | 62% | 0.615 | 41% | 0.405 | S | S | * | . | trans | -59.1 | 119.3 | 175 | -174.6 | 1.1 | 0 | 0 | 0 | 108.5 | T407 A411 | T407-D409 PolarHBondContact O-N 2.85Å; D409-A411 PolarHBondContact O-N 2.99Å | ||
| 410 | P | 50.5 | Low | 76 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 77% | 0.773 | 44% | 0.437 | S | S | * | . | trans | -74.4 | 24 | -173.7 | 32.1 | -37.2 | 0 | 0 | 0 | 113.6 | T408 F412 | T408-P410 WeakPolarHBondContact O-CD 3.24Å; P410-F412 PolarHBondContact O-N 3.24Å | ||
| 411 | A | 53.4 | Low | 75.8 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | trans | -54.1 | 119.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D409 L413 | D409-A411 PolarHBondContact O-N 2.99Å; A411-L413 PolarHBondContact O-N 3.15Å | ||
| 412 | F | 56.3 | Low | 75.8 | Confident | 190 Ų | 190 | 83.7 Ų | 83.7 | 83% | 0.833 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -66.6 | 106.9 | 179.3 | -132.7 | -94.4 | 0 | 0 | 0 | 109.3 | P410 | P410-F412 PolarHBondContact O-N 3.24Š|
| 413 | L | 59.5 | Low | 75.7 | Confident | 156 Ų | 156 | 83.8 Ų | 83.8 | 82% | 0.817 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 61.2 | 96.1 | -171.8 | -54.4 | 178.9 | 0 | 0 | 0 | 114 | A411 S415 | A411-L413 PolarHBondContact O-N 3.15Å; L413-S415 PolarHBondContact O-N 3.06Å |
| 414 | P | 62.2 | Low | 75.7 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | trans | -58.3 | 126.2 | 178.5 | -29.5 | 38.8 | 0 | 0 | 0 | 113.7 | S416 | P414-S416 VanDerWaalsContact C-N 3.3Å; P414-S416 PolarHBondContact O-N 3.45Å | ||
| 415 | S | 65.6 | Low | 75.8 | Confident | 134 Ų | 134 | 81.4 Ų | 81.4 | 94% | 0.937 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -70.5 | -17.1 | -172 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | L413 | L413-S415 PolarHBondContact O-N 3.06Š|
| 416 | S | 80.7 | Confident | 76.2 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 35% | 0.35 | 45% | 0.445 | S | S | . | . | trans | -103.3 | 143.4 | -178.9 | -165.6 | 0 | 0 | 0 | 0 | 112.6 | R10 P414 T418 | R10-S416 WeakPolarHBondContact CD-O 3.27Å; P414-S416 VanDerWaalsContact C-N 3.3Å; P414-S416 PolarHBondContact O-N 3.45Å; S416-T418 WeakPolarHBondContact CB-O 3.32Å; S416-T418 PolarHBondContact O-N 2.84Å; S416-T418 PolarHBondContact OG-N 2.91Å; S416-T418 PolarHBondContact OG-O 2.83Å; S416-T418 PolarHBondContact OG-OG1 2.81Å; S416-T418 VanDerWaalsContact OG-OG1 3.05Å | ||
| 417 | N | 86.7 | Confident | 77.3 | Confident | 96 Ų | 96 | 77.4 Ų | 77.4 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -76.7 | -0.4 | 166.6 | 74.2 | -41.3 | 0 | 0 | 0 | 113.3 | L9 R10 | L9-N417 CarbonylContact C-O 3.57Å; L9-N417 WeakPolarHBondContact CA-O 3.41Å; L9-N417 WeakPolarHBondContact CD2-ND2 3.34Å; R10-N417 PolarHBondContact N-O 3.39Å |
| 418 | T | 89.5 | Confident | 78.7 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.4 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | K7 L8 L9 F61 S416 | K7-T418 WeakPolarHBondContact CE-OG1 3.41Å; L8-T418 CarbonylContact O-C 3.53Å; L8-T418 WeakPolarHBondContact O-CA 3.37Å; L8-T418 WeakPolarHBondContact O-CB 3.4Å; L9-T418 HydrophobicContact CD2-CG2 4.06Å; F61-T418 HydrophobicContact CE1-CG2 4.27Å; S416-T418 WeakPolarHBondContact CB-O 3.32Å; S416-T418 PolarHBondContact O-N 2.84Å; S416-T418 PolarHBondContact OG-N 2.91Å; S416-T418 PolarHBondContact OG-O 2.83Å; S416-T418 PolarHBondContact OG-OG1 2.81Å; S416-T418 VanDerWaalsContact OG-OG1 3.05Å |
| 419 | D | 90.7 | Very high | 80.4 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 162.3 | -175.1 | -160.4 | -18 | 0 | 0 | 0 | 111.5 | K7 L8 R10 Q405 Y421 | K7-D419 WeakPolarHBondContact CA-O 3.23Å; L8-D419 PolarHBondContact N-O 2.94Å; L8-D419 PolarHBondContact O-N 2.77Å; R10-D419 HydrophobicContact CG-CB 3.62Å; R10-D419 IonicContact CZ-OD2 3.55Å; R10-D419 VanDerWaalsContact CZ-OD2 3.3Å; R10-D419 IonicContact NE-OD2 3.55Å; R10-D419 PolarHBondContact NE-OD2 3.14Å; R10-D419 IonicContact NH2-OD2 3.44Å; R10-D419 PolarHBondContact NH2-OD2 3.36Å; Q405-D419 PolarHBondContact NE2-OD2 2.54Å; D419-Y421 HydrophobicContact CB-CE2 3.83Å; D419-Y421 WeakPolarHBondContact O-CD2 3.21Å; D419-Y421 WeakPolarHBondContact O-CE2 3.18Å |
| 420 | K | 92 | Very high | 82.2 | Confident | 156 Ų | 156 | 73.2 Ų | 73.2 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 111.2 | -172.8 | -66.8 | 173.9 | -175.2 | 167.1 | 0 | 110.9 | A6 | A6-K420 CarbonylContact O-C 3.59Å; A6-K420 WeakPolarHBondContact O-CA 3.38Å |
| 421 | Y | 93.6 | Very high | 83.8 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 150.4 | -179.6 | -59.3 | -88.9 | 0 | 0 | 0 | 111.5 | K5 A6 L8 K388 R404 Q405 D419 | K5-Y421 WeakPolarHBondContact CA-O 3.48Å; A6-Y421 PolarHBondContact N-O 3Å; A6-Y421 PolarHBondContact O-N 2.97Å; L8-Y421 HydrophobicContact CB-CD2 4.04Å; L8-Y421 HydrophobicContact CB-CE2 4.13Å; K388-Y421 HydrophobicContact CD-CD1 4.45Å; K388-Y421 HydrophobicContact CD-CE1 4.1Å; R404-Y421 CarbonylContact O-C 3.59Å; R404-Y421 WeakPolarHBondContact O-CA 3.11Å; Q405-Y421 HydrophobicContact CG-CD1 3.79Å; Q405-Y421 HydrophobicContact CG-CE1 3.52Å; D419-Y421 HydrophobicContact CB-CE2 3.83Å; D419-Y421 WeakPolarHBondContact O-CD2 3.21Å; D419-Y421 WeakPolarHBondContact O-CE2 3.18Å |
| 422 | I | 95.8 | Very high | 84.6 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 32% | 0.323 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122 | 151.5 | -51.3 | 177 | 0 | 0 | 0 | 106.3 | G4 G403 R404 K406 | G4-I422 CarbonylContact O-C 3.59Å; G4-I422 VanDerWaalsContact O-CA 3.3Å; G4-I422 WeakPolarHBondContact O-CA 3.09Å; G403-I422 WeakPolarHBondContact CA-O 3.3Å; R404-I422 PolarHBondContact N-O 3.19Å; R404-I422 PolarHBondContact O-N 3.38Å; K406-I422 HydrophobicContact CG-CD1 4.08Å; K406-I422 HydrophobicContact CG-CG1 4.12Å |
| 423 | L | 95.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.9 | -178.2 | -65.3 | -173.6 | 0 | 0 | 0 | 111.6 | L3 G4 A6 L8 K388 M401 V402 | L3-L423 HydrophobicContact CB-CB 3.9Å; L3-L423 HydrophobicContact CD1-CB 4.41Å; L3-L423 PolarHBondContact N-O 3.29Å; G4-L423 PolarHBondContact O-N 2.63Å; A6-L423 HydrophobicContact CB-CD1 3.38Å; A6-L423 HydrophobicContact CB-CG 3.7Å; L8-L423 HydrophobicContact CD1-CD1 3.96Å; L8-L423 HydrophobicContact CD1-CD2 3.78Å; L8-L423 HydrophobicContact CD1-CG 4.46Å; L8-L423 HydrophobicContact CG-CD1 4.5Å; K388-L423 HydrophobicContact CG-CD2 4.36Å; M401-L423 HydrophobicContact SD-CD1 4.13Å; V402-L423 WeakPolarHBondContact O-CA 3.48Å |
| 424 | R | 95.6 | Very high | 83.6 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 147.4 | 168.4 | 67.8 | -179.1 | -171.5 | 169.1 | 2.6 | 111.6 | M1 D2 E385 V402 I426 | M1-R424 CarbonylContact O-C 3.6Å; M1-R424 VanDerWaalsContact O-CA 3.32Å; M1-R424 WeakPolarHBondContact O-CA 3.09Å; D2-R424 VanDerWaalsContact OD1-CB 3.27Å; D2-R424 WeakPolarHBondContact OD1-CB 3.39Å; E385-R424 IonicContact OE1-CZ 3.64Å; E385-R424 IonicContact OE1-NE 2.85Å; E385-R424 PolarHBondContact OE1-NE 3.4Å; E385-R424 IonicContact OE1-NH1 3.02Å; E385-R424 IonicContact OE1-NH2 2.74Å; E385-R424 PolarHBondContact OE1-NH2 3.08Å; E385-R424 IonicContact OE2-CZ 2.65Å; E385-R424 IonicContact OE2-NH2 3.57Å; E385-R424 PolarHBondContact OE2-NH2 2.93Å; V402-R424 HydrophobicContact CB-CG 3.94Å; V402-R424 HydrophobicContact CG1-CG 4.49Å; V402-R424 PolarHBondContact N-O 3.26Å; V402-R424 PolarHBondContact O-N 3.38Å; R424-I426 HydrophobicContact CG-CG2 4.21Å |
| 425 | L | 95.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.1 | 165 | -66.8 | 170.8 | 0 | 0 | 0 | 109.2 | M1 L3 L16 I26 F48 L399 L400 M401 | M1-L425 PolarHBondContact N-O 2.83Å; M1-L425 PolarHBondContact O-N 3Å; M1-L425 HydrophobicContact SD-CD1 4.48Å; L3-L425 HydrophobicContact CD1-CD1 4.08Å; L3-L425 HydrophobicContact CD1-CD2 4.44Å; L3-L425 HydrophobicContact CD1-CG 3.86Å; L3-L425 HydrophobicContact CD2-CD1 4.04Å; L3-L425 HydrophobicContact CD2-CG 4.38Å; L3-L425 HydrophobicContact CG-CD1 4.39Å; L3-L425 HydrophobicContact CG-CG 4.22Å; L16-L425 HydrophobicContact CD1-CD2 4.49Å; L16-L425 HydrophobicContact CD2-CD2 4.28Å; I26-L425 HydrophobicContact CD1-CD1 3.8Å; F48-L425 HydrophobicContact CD1-CD1 4.08Å; F48-L425 HydrophobicContact CE1-CB 4.07Å; F48-L425 HydrophobicContact CE1-CD1 3.65Å; F48-L425 HydrophobicContact CE1-CG 4.48Å; F48-L425 HydrophobicContact CZ-CB 3.9Å; F48-L425 HydrophobicContact CZ-CD1 4.34Å; L399-L425 HydrophobicContact CD1-CB 4.37Å; L399-L425 HydrophobicContact CD1-CD2 4.4Å; L399-L425 HydrophobicContact CD2-CD2 4.5Å; L399-L425 HydrophobicContact CG-CD2 4.46Å; L400-L425 WeakPolarHBondContact O-CA 3.42Å; M401-L425 HydrophobicContact CB-CD2 3.92Å; M401-L425 HydrophobicContact CE-CD2 4.23Å; M401-L425 HydrophobicContact CG-CD2 4.25Å |
| 426 | I | 94.6 | Very high | 80.4 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.5 | 171.1 | 66.2 | 178.7 | 0 | 0 | 0 | 109.4 | L381 L400 V402 R424 | L381-I426 HydrophobicContact CD2-CD1 4.2Å; L400-I426 HydrophobicContact CB-CD1 4.47Å; L400-I426 HydrophobicContact CB-CG1 3.81Å; L400-I426 HydrophobicContact CD1-CD1 4.23Å; L400-I426 HydrophobicContact CD1-CG1 4.26Å; L400-I426 PolarHBondContact N-O 3.11Å; L400-I426 PolarHBondContact O-N 3.42Å; V402-I426 HydrophobicContact CG2-CD1 3.82Å; V402-I426 HydrophobicContact CG2-CG1 4.06Å; R424-I426 HydrophobicContact CG-CG2 4.21Å |
| 427 | S | 93.2 | Very high | 77.9 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 150.3 | 164.7 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | L398 | L398-S427 CarbonylContact O-C 3.55Å; L398-S427 WeakPolarHBondContact O-CA 3.37Å |
| 428 | K | 93 | Very high | 75.3 | Confident | 92 Ų | 92 | 80.2 Ų | 80.2 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.2 | 170.5 | -76.5 | -64.3 | -171.5 | 176.6 | 0 | 109.7 | I379 L398 L400 | I379-K428 HydrophobicContact CD1-CB 4.11Å; I379-K428 HydrophobicContact CD1-CG 4.43Å; I379-K428 HydrophobicContact CG2-CG 4.24Å; L398-K428 PolarHBondContact N-O 3.43Å; L398-K428 PolarHBondContact O-N 3.49Å; L400-K428 HydrophobicContact CD1-CB 4.45Å; L400-K428 HydrophobicContact CD1-CG 3.82Å |
| 429 | E | 91.7 | Very high | 72.4 | Confident | 143 Ų | 143 | 83.8 Ų | 83.8 | 67% | 0.668 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138.5 | 173.4 | -170 | 167.4 | -160.8 | 0 | 0 | 110.4 | Q377 K396 | Q377-E429 PolarHBondContact NE2-O 2.76Å; Q377-E429 VanDerWaalsContact NE2-O 3.1Å; K396-E429 CarbonylContact O-C 3.53Å; K396-E429 WeakPolarHBondContact O-CA 3.22Å |
| 430 | L | 90.1 | Very high | 69.6 | Low | 4 Ų | 4 | 88 Ų | 88 | 2% | 0.021 | 49% | 0.486 | C | S | . | . | trans | -96.1 | 113 | 179.6 | -57.7 | 177.1 | 0 | 0 | 0 | 108.3 | V365 I379 F392 K396 L398 Y432 | V365-L430 HydrophobicContact CG1-CD2 4.45Å; V365-L430 HydrophobicContact CG2-CD2 4.02Å; I379-L430 HydrophobicContact CD1-CD2 4.49Å; F392-L430 HydrophobicContact CD1-CD1 3.81Å; F392-L430 HydrophobicContact CE1-CD1 3.58Å; K396-L430 PolarHBondContact O-N 2.94Å; L398-L430 HydrophobicContact CB-CD1 4.47Å; L398-L430 HydrophobicContact CB-CD2 3.98Å; L398-L430 HydrophobicContact CB-CG 4.33Å; L398-L430 HydrophobicContact CD2-CD2 4.41Å; L430-Y432 HydrophobicContact CB-CE2 3.97Å; L430-Y432 WeakPolarHBondContact O-CD2 3.26Å | ||
| 431 | I | 83.1 | Confident | 66.3 | Low | 109 Ų | 109 | 85.9 Ų | 85.9 | 56% | 0.559 | 49% | 0.491 | S | S | * | . | trans | -83 | 119.8 | 178.5 | -56.8 | 173.4 | 0 | 0 | 0 | 107.7 | ||||
| 432 | Y | 72 | Confident | 63.9 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | trans | -101.4 | 104.3 | 169.4 | -66.3 | -89.7 | 0 | 0 | 0 | 108.1 | A350 T352 I376 D395 K396 L430 G434 | A350-Y432 HydrophobicContact CB-CE1 4.46Å; A350-Y432 WeakPolarHBondContact CB-OH 3.24Å; T352-Y432 HydrophobicContact CG2-CE1 4.02Å; T352-Y432 WeakPolarHBondContact CG2-OH 3.41Å; I376-Y432 HydrophobicContact CD1-CD1 4.09Å; I376-Y432 HydrophobicContact CD1-CE1 3.68Å; D395-Y432 VanDerWaalsContact O-CE2 3.28Å; D395-Y432 WeakPolarHBondContact O-CE2 3.32Å; D395-Y432 PolarHBondContact O-OH 2.95Å; K396-Y432 HydrophobicContact CG-CD2 4.41Å; K396-Y432 HydrophobicContact CG-CE2 4.12Å; L430-Y432 HydrophobicContact CB-CE2 3.97Å; L430-Y432 WeakPolarHBondContact O-CD2 3.26Å; Y432-G434 PolarHBondContact O-N 2.73Å | ||
| 433 | D | 50.9 | Low | 60.5 | Low | 170 Ų | 170 | 94.4 Ų | 94.4 | 91% | 0.909 | 55% | 0.554 | S | S | * | * | trans | -70.8 | 76.9 | 165.6 | -91.5 | -15.7 | 0 | 0 | 0 | 109.2 | ||||
| 434 | G | 43 | Very low | 57.3 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 53% | 0.526 | 59% | 0.589 | S | S | . | * | trans | -116.9 | 92.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y432 T436 | Y432-G434 PolarHBondContact O-N 2.73Å; G434-T436 PolarHBondContact O-N 2.88Å; G434-T436 PolarHBondContact O-OG1 2.98Å | ||
| 435 | E | 31.2 | Very low | 54 | Low | 207 Ų | 207 | 103.3 Ų | 103.3 | 97% | 0.967 | 62% | 0.618 | S | S | * | * | trans | -60.6 | 85.5 | 165.7 | -73.7 | -165.7 | 127.8 | 0 | 0 | 109.6 | A437 | E435-A437 PolarHBondContact O-N 3.21Š| ||
| 436 | T | 29 | Very low | 50.7 | Low | 132 Ų | 132 | 109.5 Ų | 109.5 | 81% | 0.81 | 65% | 0.651 | S | S | * | * | trans | -75.9 | 116 | 172.3 | -49.1 | 0 | 0 | 0 | 0 | 106.4 | G434 | G434-T436 PolarHBondContact O-N 2.88Å; G434-T436 PolarHBondContact O-OG1 2.98Å | ||
| 437 | A | 28.5 | Very low | 47.5 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | trans | -52.4 | 143.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E435 A439 | E435-A437 PolarHBondContact O-N 3.21Å; A437-A439 PolarHBondContact O-N 3.24Å | ||
| 438 | I | 31.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 119.8 Ų | 119.8 | 86% | 0.856 | 69% | 0.692 | S | S | * | * | trans | -54.3 | 109.8 | -172.3 | -60.1 | 165.9 | 0 | 0 | 0 | 111.1 | P440 | I438-P440 WeakPolarHBondContact O-CD 3.45Š| ||
| 439 | A | 30 | Very low | 41.2 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | -91.4 | 113.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A437 | A437-A439 PolarHBondContact O-N 3.24Š| ||
| 440 | P | 30.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | trans | -72.7 | 150.5 | 175.9 | 30.8 | -34.6 | 0 | 0 | 0 | 111.3 | I438 | I438-P440 WeakPolarHBondContact O-CD 3.45Š| ||
| 441 | S | 23.9 | Very low | 35.1 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -145.1 | 166.8 | 170.6 | 69.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 442 | P | 41.8 | Very low | 32.4 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | cis | -128 | 165.6 | -2.8 | 40.2 | -26.4 | 0 | 0 | 0 | 114.6 | ||||
| 443 | S | 25.1 | Very low | 30.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -147.5 | 135.7 | 149.3 | 59.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 444 | A | 28.6 | Very low | 29 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -103.1 | 145.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 445 | L | 26.7 | Very low | 28.2 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | -161.2 | 160.7 | 120.2 | -126.6 | 72.2 | 0 | 0 | 0 | 111.5 | |||||
| 446 | N | 26.4 | Very low | 27.9 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -80.1 | 177.4 | -171.9 | -46.4 | -19.2 | 0 | 0 | 0 | 111.6 | ||||
| 447 | H | 28.3 | Very low | 28.2 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | cis | -154.1 | 153.6 | 19.5 | -116.5 | -87.4 | 0 | 0 | 0 | 110.1 | ||||
| 448 | E | 26.5 | Very low | 28 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 55.2 | 148.7 | 150.2 | -81.4 | 157.5 | -132.5 | 0 | 0 | 121.6 | ||||
| 449 | S | 27 | Very low | 28 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -139.6 | 149 | 1.5 | -91 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 450 | S | 28.1 | Very low | 27.8 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -118.6 | 128.1 | -179.6 | 53 | 0 | 0 | 0 | 0 | 113.5 | N452 | S450-N452 PolarHBondContact O-N 2.83Š| ||
| 451 | S | 24.9 | Very low | 27.5 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -92.6 | 72.7 | -178.6 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | F453 | S451-F453 PolarHBondContact O-N 2.62Å; S451-F453 VanDerWaalsContact O-N 3.09Å | ||
| 452 | N | 26 | Very low | 27.6 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -71.9 | 98.8 | 179.8 | -70.8 | -35.9 | 0 | 0 | 0 | 113 | S450 C454 | S450-N452 PolarHBondContact O-N 2.83Å; N452-C454 PolarHBondContact O-N 2.71Å | ||
| 453 | F | 25.1 | Very low | 26.9 | Very low | 213 Ų | 213 | 143.3 Ų | 143.3 | 93% | 0.934 | 79% | 0.785 | S | S | * | * | trans | -79.1 | 68 | 165.8 | -97.1 | -83.8 | 0 | 0 | 0 | 112 | S451 | S451-F453 PolarHBondContact O-N 2.62Å; S451-F453 VanDerWaalsContact O-N 3.09Å | ||
| 454 | C | 25.9 | Very low | 26.9 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -97.2 | 126.2 | 160.6 | -65.1 | 0 | 0 | 0 | 0 | 109 | N452 G456 | N452-C454 PolarHBondContact O-N 2.71Å; C454-G456 VanDerWaalsContact C-N 3.26Å; C454-G456 PolarHBondContact O-N 2.93Å | ||
| 455 | A | 26.5 | Very low | 26.8 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 81.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 456 | G | 25.7 | Very low | 26.9 | Very low | 59 Ų | 59 | 147.9 Ų | 147.9 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 133.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C454 R458 | C454-G456 VanDerWaalsContact C-N 3.26Å; C454-G456 PolarHBondContact O-N 2.93Å; G456-R458 PolarHBondContact O-N 3.38Å | ||
| 457 | I | 34.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 67% | 0.672 | 79% | 0.788 | S | S | * | * | trans | -62.7 | 96.9 | 171.9 | -60.4 | 167.7 | 0 | 0 | 0 | 108.6 | R459 | I457-R459 PolarHBondContact O-N 3.05Š| ||
| 458 | R | 25.8 | Very low | 26.8 | Very low | 217 Ų | 217 | 147.5 Ų | 147.5 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | -80.3 | 113.2 | 176.5 | -77 | -171.4 | 171.6 | -169.4 | -2.9 | 110.6 | G456 | G456-R458 PolarHBondContact O-N 3.38Š| ||
| 459 | R | 29.9 | Very low | 26.9 | Very low | 214 Ų | 214 | 149.5 Ų | 149.5 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -79.8 | 131.8 | 162.2 | -62.9 | 177.8 | 179.6 | 176 | -1.8 | 108.3 | I457 | I457-R459 PolarHBondContact O-N 3.05Š| ||
| 460 | H | 25.7 | Very low | 27 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -102.9 | 111.9 | 165.4 | -77.5 | -83.6 | 0 | 0 | 0 | 109 | ||||
| 461 | S | 25.3 | Very low | 27 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -154.3 | 86.6 | 170.7 | 61.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 462 | E | 26 | Very low | 27 | Very low | 198 Ų | 198 | 158 Ų | 158 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -136.1 | 106.3 | 170.2 | -102.7 | 166.9 | -143.3 | 0 | 0 | 108.5 | ||||
| 463 | H | 26.6 | Very low | 26.9 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | trans | -89.9 | 144.5 | 164.4 | -109.4 | -91.8 | 0 | 0 | 0 | 108.8 | ||||
| 464 | L | 26 | Very low | 27.1 | Very low | 177 Ų | 177 | 152.6 Ų | 152.6 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | -72 | 139.7 | -171.4 | -66.4 | 160.8 | 0 | 0 | 0 | 113.8 | ||||
| 465 | S | 25.4 | Very low | 27.2 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -151.7 | 127.3 | 140.4 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 466 | K | 28.9 | Very low | 27.2 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -72.1 | 167.5 | 157.4 | -63.2 | -177.2 | 177.2 | 179.8 | 0 | 108.4 | ||||
| 467 | D | 27.3 | Very low | 27.2 | Very low | 137 Ų | 137 | 160.6 Ų | 160.6 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | cis | -160 | -168 | 35.7 | -134 | -45.4 | 0 | 0 | 0 | 113.2 | ||||
| 468 | D | 27 | Very low | 26.8 | Very low | 132 Ų | 132 | 160.3 Ų | 160.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 72.6 | 107.8 | 166.8 | -80.1 | -35.2 | 0 | 0 | 0 | 120.7 | ||||
| 469 | R | 28.7 | Very low | 27 | Very low | 204 Ų | 204 | 157.9 Ų | 157.9 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 16.6 | 149.5 | 112.5 | -53.9 | 178.9 | -178.5 | -151.8 | 7.8 | 117.8 | |||||
| 470 | E | 27 | Very low | 27.3 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | cis | -149.8 | -142.2 | 25.3 | -145.5 | 148.7 | -120.9 | 0 | 0 | 114 | ||||
| 471 | R | 28.5 | Very low | 27.2 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -116 | 152.4 | -156.9 | -68.7 | 172.7 | 167.8 | 159.3 | -6.2 | 116.7 | ||||
| 472 | A | 25.7 | Very low | 27.1 | Very low | 109 Ų | 109 | 155 Ų | 155 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | 67.8 | 156 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 473 | G | 24.5 | Very low | 27.1 | Very low | 69 Ų | 69 | 153.7 Ų | 153.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 162.3 | 150.7 | -15 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 474 | I | 29.1 | Very low | 27 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | 76.2 | 108.2 | 151.1 | -57.5 | 179.6 | 0 | 0 | 0 | 119.1 | ||||
| 475 | K | 28.2 | Very low | 26.9 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 89.1 | 145.6 | 140 | -84.8 | 179.9 | 173.4 | -164 | 0 | 124.6 | ||||
| 476 | D | 25.9 | Very low | 26.8 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | 60 | 142.1 | 143.7 | -58.7 | -10.1 | 0 | 0 | 0 | 120 | ||||
| 477 | L | 25.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -173 | -171.3 | -24.1 | -118.4 | 170.4 | 0 | 0 | 0 | 106.9 | ||||
| 478 | V | 26 | Very low | 27.3 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 79.4 | 111.7 | 164.3 | -167.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 479 | L | 29.4 | Very low | 27.3 | Very low | 166 Ų | 166 | 140 Ų | 140 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -106.6 | 149.6 | 139.5 | -77.4 | 171.6 | 0 | 0 | 0 | 106.3 | ||||
| 480 | P | 35.5 | Very low | 27.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | -152.9 | 168.4 | 71.5 | 40.4 | -20.8 | 0 | 0 | 0 | 117.5 | |||||
| 481 | G | 24 | Very low | 27.7 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 179.5 | 126.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 482 | R | 24.6 | Very low | 27.7 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -94.7 | 156.1 | 171.1 | -78.3 | -179.8 | 167.4 | -169 | -2.5 | 110.7 | ||||
| 483 | I | 24.2 | Very low | 27.7 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -152.1 | 155.4 | 134.1 | -103.8 | 150.9 | 0 | 0 | 0 | 109.1 | ||||
| 484 | V | 25.4 | Very low | 28 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 142.6 | -174.8 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 485 | C | 23.7 | Very low | 27.9 | Very low | 131 Ų | 131 | 146 Ų | 146 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -160.2 | 151.7 | 151.5 | -124.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 486 | S | 23.6 | Very low | 27.8 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -170.2 | 176.6 | 178.9 | 71.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 487 | P | 41.5 | Very low | 27.9 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -126.6 | -174.5 | -21.1 | 36.6 | -19.8 | 0 | 0 | 0 | 112.4 | ||||
| 488 | G | 24.8 | Very low | 27.9 | Very low | 81 Ų | 81 | 151.8 Ų | 151.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -137.5 | 146.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 489 | S | 27.4 | Very low | 27.9 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -130.2 | 175.3 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 490 | R | 31.1 | Very low | 27.5 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | cis | -178 | 142.4 | 38.3 | -136.8 | 170.6 | -164 | -169.3 | 6.9 | 111.3 | ||||
| 491 | R | 32.8 | Very low | 27 | Very low | 215 Ų | 215 | 152.5 Ų | 152.5 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 60.2 | -179.9 | 160.7 | -61.9 | 165.4 | 177.6 | 171.9 | -2 | 115.2 | ||||
| 492 | R | 29 | Very low | 27.6 | Very low | 218 Ų | 218 | 154.4 Ų | 154.4 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | cis | -157.5 | 148.2 | -2.9 | -146.9 | -147.7 | 178.3 | 148.9 | 0 | 106.7 | ||||
| 493 | L | 25.2 | Very low | 27.7 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | cis | 94.7 | 98.5 | 4.6 | -147.8 | 178.7 | 0 | 0 | 0 | 117.9 | ||||
| 494 | V | 30.2 | Very low | 28.2 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 173.8 | 165.7 | 143.7 | 148.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 495 | E | 27.4 | Very low | 28.3 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -58.2 | 171.1 | -177.7 | -63.8 | 146 | 108.1 | 0 | 0 | 116.1 | ||||
| 496 | E | 25.4 | Very low | 28.5 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | -160.7 | -172.8 | 64.5 | -142.4 | -168.8 | 143.8 | 0 | 0 | 115.6 | |||||
| 497 | I | 29.4 | Very low | 28.6 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -116.9 | 141.6 | -164.3 | -60.4 | 158.1 | 0 | 0 | 0 | 111.8 | ||||
| 498 | R | 25.8 | Very low | 27.8 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -176.6 | 167.6 | 139.3 | -101.7 | 155.4 | -160.1 | -144.3 | 3.4 | 114.7 | ||||
| 499 | S | 24.4 | Very low | 27.9 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -100.7 | 162.4 | -171.5 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 500 | N | 21.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 178.4 | 152.2 | 119 | -90.1 | 7 | 0 | 0 | 0 | 113.9 | |||||
| 501 | E | 25.9 | Very low | 27.5 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -81.3 | 176.6 | 161.5 | -93 | -173.2 | 151.9 | 0 | 0 | 110.9 | ||||
| 502 | P | 35.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -141.5 | -173 | 22.2 | 43.3 | -23.3 | 0 | 0 | 0 | 117.4 | ||||
| 503 | C | 26.5 | Very low | 27.1 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 167.4 | 172.8 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 504 | P | 36 | Very low | 27.1 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -124.8 | 171.4 | 138.5 | 37.7 | -29.8 | 0 | 0 | 0 | 113.8 | ||||
| 505 | V | 27.2 | Very low | 26.9 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 147.3 | -174.8 | 171.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 506 | T | 27.2 | Very low | 26.8 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -177.7 | 131.1 | 147.2 | 31.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 507 | T | 25.5 | Very low | 26.7 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | 34 | 133.4 | 139.5 | 61.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 508 | S | 26.2 | Very low | 26.5 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | 85.5 | 111.6 | 30.9 | 81.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 509 | V | 25.3 | Very low | 26.5 | Very low | 142 Ų | 142 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -152.3 | 139.7 | 155.3 | -157.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 510 | D | 26.5 | Very low | 26.5 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -92.4 | 163.3 | 170.1 | -73.2 | -67 | 0 | 0 | 0 | 112.4 | ||||
| 511 | F | 24.7 | Very low | 26.6 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 91% | 0.912 | 79% | 0.794 | S | S | * | * | trans | -162.5 | 139.2 | 136.7 | -110.5 | -70.8 | 0 | 0 | 0 | 113 | ||||
| 512 | S | 25.6 | Very low | 26.6 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -90.4 | 178.8 | 166 | -155 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 513 | E | 28 | Very low | 26.1 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | -170 | 144.5 | 23.5 | -173.2 | -170.7 | -101.4 | 0 | 0 | 110.1 | ||||
| 514 | R | 24.4 | Very low | 26.1 | Very low | 234 Ų | 234 | 143.2 Ų | 143.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 167.3 | 167.7 | 130.9 | -93.1 | -178.1 | 175.7 | -163.2 | -3.3 | 114.3 | ||||
| 515 | Q | 25.6 | Very low | 25.6 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -148.1 | 155.2 | -151.6 | 174.2 | 171.1 | -27.6 | 0 | 0 | 112.9 | ||||
| 516 | E | 25.1 | Very low | 25.5 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 64% | 0.64 | 79% | 0.787 | S | S | * | * | trans | 143.2 | 141.6 | 156.3 | -82.3 | -170 | 135.3 | 0 | 0 | 109.7 | ||||
| 517 | R | 25.1 | Very low | 25.9 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | cis | -153 | 141.4 | 12.4 | -124 | 176.4 | -150.1 | 78.5 | 12.6 | 110.3 | ||||
| 518 | A | 24.2 | Very low | 25.9 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 59.4 | 144.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 519 | S | 25.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | -159.2 | 177 | 0.3 | -136 | 0 | 0 | 0 | 0 | 113 | ||||
| 520 | S | 25.5 | Very low | 26.2 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 77.6 | 87.8 | 168.8 | 65.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 521 | R | 24 | Very low | 26.4 | Very low | 256 Ų | 256 | 148.3 Ų | 148.3 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | trans | 49.1 | 106.4 | 140.2 | -74.6 | -179 | 164.1 | 159.4 | -3.9 | 120.3 | ||||
| 522 | A | 25.9 | Very low | 26.5 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -142.3 | 135.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 523 | S | 25.6 | Very low | 26.6 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -171.3 | 134.1 | 156 | 48.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 524 | S | 25.5 | Very low | 26.7 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | 83.1 | 130.7 | 19.4 | 91.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 525 | I | 26.5 | Very low | 26.9 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | 67.3 | 119.7 | 177.5 | -55.4 | 175.5 | 0 | 0 | 0 | 112.1 | ||||
| 526 | T | 25.2 | Very low | 27 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | -133.3 | 162.8 | 63.7 | 40.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 527 | V | 34.3 | Very low | 27.2 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -92.5 | 122 | 157.3 | 172 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 528 | E | 24.7 | Very low | 27.4 | Very low | 138 Ų | 138 | 145 Ų | 145 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | -129.4 | 120.9 | 166.7 | -68.1 | -168.9 | 143.1 | 0 | 0 | 110 | F530 | E528-F530 HydrophobicContact CB-CD2 4.03Å; E528-F530 HydrophobicContact CB-CE2 4.03Å; E528-F530 PolarHBondContact O-N 3Å | ||
| 529 | N | 32.5 | Very low | 27.5 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -75.7 | 105.4 | 166 | -81.4 | -13.1 | 0 | 0 | 0 | 108.1 | ||||
| 530 | F | 25.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -106.5 | 82.9 | 159.6 | -83 | -74.4 | 0 | 0 | 0 | 110.1 | E528 | E528-F530 HydrophobicContact CB-CD2 4.03Å; E528-F530 HydrophobicContact CB-CE2 4.03Å; E528-F530 PolarHBondContact O-N 3Å | ||
| 531 | D | 30.3 | Very low | 27.6 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -79.3 | 124.7 | 160.9 | -149.8 | -0.6 | 0 | 0 | 0 | 107.7 | ||||
| 532 | M | 28.6 | Very low | 27.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | trans | -140.7 | 76.1 | -178.8 | -92.9 | -155.2 | 67.6 | 0 | 0 | 111 | H534 | M532-H534 PolarHBondContact O-N 2.9Š| ||
| 533 | D | 27.6 | Very low | 27.7 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 114.5 | 160.8 | -89.3 | -33.3 | 0 | 0 | 0 | 110.1 | V535 | D533-V535 PolarHBondContact O-N 3.12Š| ||
| 534 | H | 28.9 | Very low | 27.6 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -75.1 | 92.6 | 169.8 | -89.7 | -70.4 | 0 | 0 | 0 | 110.6 | M532 N536 | M532-H534 PolarHBondContact O-N 2.9Å; H534-N536 PolarHBondContact O-N 3.03Å; H534-N536 VanDerWaalsContact O-N 3.08Å | ||
| 535 | V | 28.7 | Very low | 27.6 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -62.2 | 105.4 | 173.6 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | D533 R537 | D533-V535 PolarHBondContact O-N 3.12Å; V535-R537 HydrophobicContact CG1-CG 4.23Å; V535-R537 PolarHBondContact O-N 3.08Å | ||
| 536 | N | 27.5 | Very low | 27.7 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 104.9 | 167 | -86.8 | -24.6 | 0 | 0 | 0 | 110.1 | H534 | H534-N536 PolarHBondContact O-N 3.03Å; H534-N536 VanDerWaalsContact O-N 3.08Å | ||
| 537 | R | 28.8 | Very low | 27.8 | Very low | 230 Ų | 230 | 139.1 Ų | 139.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -103.2 | 137.5 | 161.3 | -83.6 | -171.5 | 176 | -165.9 | 0.1 | 110.5 | V535 | V535-R537 HydrophobicContact CG1-CG 4.23Å; V535-R537 PolarHBondContact O-N 3.08Å | ||
| 538 | M | 29.6 | Very low | 27.5 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | trans | -72.9 | 137.6 | 168.8 | -64.6 | 177.8 | -78.3 | 0 | 0 | 110.5 | ||||
| 539 | A | 26.4 | Very low | 27.9 | Very low | 105 Ų | 105 | 141 Ų | 141 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -150 | 161.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 540 | S | 25 | Very low | 27.6 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -140.5 | 169.6 | -169.3 | -164 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 541 | L | 27.5 | Very low | 27.7 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 109.8 | 165.3 | -60.9 | 172.7 | 0 | 0 | 0 | 119.9 | ||||
| 542 | A | 24.7 | Very low | 27.6 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | 73.2 | 129.3 | 112.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 543 | V | 27 | Very low | 27.6 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | 62.1 | 135.2 | 152.2 | -178.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 544 | G | 25 | Very low | 27.4 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | 145.1 | 157.1 | 7.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 545 | G | 25.3 | Very low | 27.2 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | 174.2 | 174.8 | -5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 546 | Q | 28.5 | Very low | 27 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 95% | 0.949 | 80% | 0.796 | S | S | * | * | trans | 66.5 | 155.5 | 176.9 | -55.3 | -175.3 | -26.9 | 0 | 0 | 114.8 | ||||
| 547 | A | 27.2 | Very low | 27 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | cis | -155.4 | 168.7 | 11.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 548 | S | 27.4 | Very low | 26.7 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | cis | -175.8 | 143.3 | -12.2 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 549 | R | 32.7 | Very low | 26.3 | Very low | 216 Ų | 216 | 132.6 Ų | 132.6 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | 71.1 | 154.4 | 143.1 | -71.9 | -177.8 | 135 | 145.3 | 3.8 | 121 | ||||
| 550 | D | 27.1 | Very low | 26.1 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | cis | -151.8 | 174.7 | -17.6 | -114.7 | -19.9 | 0 | 0 | 0 | 106 | ||||
| 551 | S | 27.4 | Very low | 26.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | cis | -148.8 | -168.1 | 14.6 | -141.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 552 | S | 29 | Very low | 26.2 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | -142.2 | -179.7 | 4.4 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 553 | R | 27.3 | Very low | 26.3 | Very low | 238 Ų | 238 | 136.4 Ų | 136.4 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -116.1 | 170.4 | -169.3 | -75.1 | 179.3 | 172.1 | -177.7 | -4.4 | 110.8 | ||||
| 554 | A | 25.1 | Very low | 26.2 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | cis | -155.4 | -176.3 | 31.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 555 | S | 23.4 | Very low | 26.3 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -77.5 | 140.3 | -161.1 | 46.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 556 | S | 24.8 | Very low | 26.4 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 15.3 | 149.2 | 135.2 | 65.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 557 | P | 26.8 | Very low | 26.1 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -125.4 | 165.6 | 131.3 | 38.2 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 558 | R | 23.6 | Very low | 26.1 | Very low | 238 Ų | 238 | 147.4 Ų | 147.4 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -99.7 | 144.1 | 157.9 | -67.9 | 172.4 | 171.1 | 162.4 | -6.2 | 108.3 | ||||
| 559 | F | 22 | Very low | 26.8 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -171.8 | -175.2 | 121.2 | -123.9 | -97.9 | 0 | 0 | 0 | 112.9 | |||||
| 560 | E | 21.9 | Very low | 27 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 169.6 | -169 | -75.4 | 179.6 | 128.2 | 0 | 0 | 116.4 | ||
| 561 | P | 30.1 | Very low | 27 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.2 | 179.6 | 28.9 | -37 | 0 | 0 | 0 | 114.9 | ||
| 562 | S | 23.8 | Very low | 27.3 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 161.7 | 159.1 | -133.6 | 0 | 0 | 0 | 0 | 108.1 | ||
| 563 | E | 26.6 | Very low | 27.6 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -169 | 160.3 | 12.8 | -142.8 | 165.4 | -90.7 | 0 | 0 | 106.1 | ||||
| 564 | K | 26.1 | Very low | 27.9 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -149.8 | 167.5 | 33.6 | -84.7 | 171.6 | -179.2 | 179.7 | 0 | 112.3 | ||||
| 565 | L | 25.3 | Very low | 29.2 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -134.1 | -175.4 | 178 | -88.4 | 170.8 | 0 | 0 | 0 | 112.3 | ||||
| 566 | H | 27.2 | Very low | 29.5 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | 90.8 | 140.3 | 175.2 | -54.7 | 170.4 | 0 | 0 | 0 | 114.4 | ||||
| 567 | S | 22.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | cis | -111.3 | 178.5 | 26.8 | -55.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 568 | E | 27.4 | Very low | 30.6 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -97.2 | 177.7 | -167.2 | -106.2 | -147.7 | 104.6 | 0 | 0 | 116 | ||||
| 569 | P | 43.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | trans | -101.2 | -164.4 | -156.9 | 41.5 | -38.2 | 0 | 0 | 0 | 115.7 | ||||
| 570 | P | 36.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | -146.7 | 160.5 | 102.7 | 39.7 | -25.1 | 0 | 0 | 0 | 118.3 | |||||
| 571 | T | 26.1 | Very low | 33.6 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | 70.3 | 134.1 | 151.8 | 43.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 572 | L | 35 | Very low | 34.6 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -89.6 | 165.9 | 166.5 | -67.8 | 166.9 | 0 | 0 | 0 | 111.3 | ||||
| 573 | P | 34.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | -132 | 179.1 | 101.4 | 38.4 | -30.8 | 0 | 0 | 0 | 115.1 | |||||
| 574 | M | 33.2 | Very low | 37.6 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 80% | 0.803 | 75% | 0.752 | S | S | * | * | trans | -92.9 | 179.5 | -171.4 | -94.3 | -62.3 | -174.2 | 0 | 0 | 113.3 | ||||
| 575 | P | 52.8 | Low | 39.3 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -113 | 164.2 | -139.9 | 42.5 | -34.3 | 0 | 0 | 0 | 115.5 | ||||
| 576 | E | 29.3 | Very low | 41.2 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -131.7 | 129 | 163.2 | -74 | -144.1 | 99.8 | 0 | 0 | 114.2 | ||||
| 577 | K | 34.2 | Very low | 43.4 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | trans | 42.1 | 104.6 | 148.2 | -66.3 | 164.1 | -170.1 | 134 | 0 | 119.6 | ||||
| 578 | T | 40.1 | Very low | 45.9 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 83% | 0.828 | 70% | 0.702 | S | S | * | * | trans | -57.7 | 152.5 | 157.1 | 35.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 579 | S | 39.3 | Very low | 47.9 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | 164.3 | -35.7 | 116.5 | 51 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 580 | G | 42.5 | Very low | 49.5 | Very low | 51 Ų | 51 | 130.2 Ų | 130.2 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -50.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T582 R583 | G580-T582 PolarHBondContact O-N 3.39Å; G580-R583 PolarHBondContact O-N 2.96Å; G580-R583 VanDerWaalsContact O-N 3.16Å |
| 581 | R | 49.3 | Very low | 51.7 | Low | 184 Ų | 184 | 128.6 Ų | 128.6 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -62.3 | -13.3 | -164.9 | -159.3 | 176.7 | -175.4 | -169.5 | 3.3 | 115.9 | ||
| 582 | T | 51.2 | Low | 54.2 | Low | 112 Ų | 112 | 127.6 Ų | 127.6 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -86.8 | -33.3 | -180 | -30.8 | 0 | 0 | 0 | 0 | 112.4 | G580 S586 | G580-T582 PolarHBondContact O-N 3.39Å; T582-S586 PolarHBondContact O-N 3.45Å |
| 583 | R | 54.3 | Low | 56 | Low | 208 Ų | 208 | 124.3 Ų | 124.3 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70 | -41.8 | 177.6 | -90.1 | -175.7 | 169.6 | 173.8 | -2.5 | 111.9 | G580 R585 S586 L587 | G580-R583 PolarHBondContact O-N 2.96Å; G580-R583 VanDerWaalsContact O-N 3.16Å; R583-R585 PolarHBondContact O-N 2.84Å; R583-S586 WeakPolarHBondContact CA-OG 3.37Å; R583-S586 PolarHBondContact O-N 3.5Å; R583-S586 VanDerWaalsContact O-N 3.08Å; R583-S586 PolarHBondContact O-OG 3.16Å; R583-L587 PolarHBondContact O-N 3.04Å |
| 584 | E | 58.8 | Low | 58.2 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 58% | 0.575 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.8 | -53.9 | 179 | -164.2 | 163.2 | -131.8 | 0 | 0 | 111.2 | S586 L587 E588 | E584-S586 VanDerWaalsContact C-N 3.31Å; E584-S586 PolarHBondContact O-N 2.73Å; E584-L587 WeakPolarHBondContact O-CA 3.39Å; E584-L587 WeakPolarHBondContact O-CB 3.27Å; E584-L587 PolarHBondContact O-N 3.21Å; E584-E588 WeakPolarHBondContact O-CG 3.37Å; E584-E588 PolarHBondContact O-N 3.17Å |
| 585 | R | 63.1 | Low | 60.4 | Low | 153 Ų | 153 | 119.8 Ų | 119.8 | 58% | 0.577 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -57.7 | -37.1 | 173.9 | -71.6 | 176.6 | 168 | -176.6 | -6 | 114.5 | R583 L587 E588 Q589 | R583-R585 PolarHBondContact O-N 2.84Å; R585-L587 VanDerWaalsContact C-N 3.3Å; R585-E588 WeakPolarHBondContact CA-OE2 3.46Å; R585-Q589 VanDerWaalsContact O-CB 3.32Å; R585-Q589 WeakPolarHBondContact O-CB 3.23Å; R585-Q589 PolarHBondContact O-N 2.85Å |
| 586 | S | 63.9 | Low | 61.5 | Low | 72 Ų | 72 | 121.7 Ų | 121.7 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.8 | -28.7 | 176.6 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | T582 R583 E584 L590 | T582-S586 PolarHBondContact O-N 3.45Å; R583-S586 WeakPolarHBondContact CA-OG 3.37Å; R583-S586 PolarHBondContact O-N 3.5Å; R583-S586 VanDerWaalsContact O-N 3.08Å; R583-S586 PolarHBondContact O-OG 3.16Å; E584-S586 VanDerWaalsContact C-N 3.31Å; E584-S586 PolarHBondContact O-N 2.73Å; S586-L590 WeakPolarHBondContact O-CB 3.47Å; S586-L590 PolarHBondContact O-N 3.31Å; S586-L590 VanDerWaalsContact O-N 3.09Å |
| 587 | L | 73.1 | Confident | 63.9 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -77.3 | -45.1 | 175 | -173.3 | 64.7 | 0 | 0 | 0 | 111.1 | R583 E584 R585 Q589 L590 V591 | R583-L587 PolarHBondContact O-N 3.04Å; E584-L587 WeakPolarHBondContact O-CA 3.39Å; E584-L587 WeakPolarHBondContact O-CB 3.27Å; E584-L587 PolarHBondContact O-N 3.21Å; R585-L587 VanDerWaalsContact C-N 3.3Å; L587-Q589 VanDerWaalsContact C-N 3.3Å; L587-Q589 PolarHBondContact O-N 3.07Å; L587-L590 WeakPolarHBondContact O-CB 3.34Å; L587-L590 PolarHBondContact O-N 3.31Å; L587-L590 VanDerWaalsContact O-N 3.12Å; L587-V591 WeakPolarHBondContact O-CG2 3.36Å; L587-V591 PolarHBondContact O-N 2.94Å |
| 588 | E | 74.8 | Confident | 65.9 | Low | 122 Ų | 122 | 117.2 Ų | 117.2 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -53.4 | -47.3 | 171.7 | -67.8 | 170.9 | 155.4 | 0 | 0 | 111.2 | E584 R585 L590 V591 H592 | E584-E588 WeakPolarHBondContact O-CG 3.37Å; E584-E588 PolarHBondContact O-N 3.17Å; R585-E588 WeakPolarHBondContact CA-OE2 3.46Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 2.93Å; E588-V591 PolarHBondContact O-N 3.14Å; E588-H592 PolarHBondContact O-N 3.11Å |
| 589 | Q | 70.7 | Confident | 67.7 | Low | 135 Ų | 135 | 114.7 Ų | 114.7 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.1 | -25.9 | 179.8 | -165.3 | 164.2 | 9.1 | 0 | 0 | 113 | R585 L587 N593 | R585-Q589 VanDerWaalsContact O-CB 3.32Å; R585-Q589 WeakPolarHBondContact O-CB 3.23Å; R585-Q589 PolarHBondContact O-N 2.85Å; L587-Q589 VanDerWaalsContact C-N 3.3Å; L587-Q589 PolarHBondContact O-N 3.07Å; Q589-N593 WeakPolarHBondContact O-CB 3.46Å; Q589-N593 VanDerWaalsContact O-CG 3.28Å; Q589-N593 PolarHBondContact O-N 3.38Å; Q589-N593 VanDerWaalsContact O-N 3.12Å; Q589-N593 PolarHBondContact O-ND2 3.45Å |
| 590 | L | 77.4 | Confident | 69.4 | Low | 96 Ų | 96 | 116.9 Ų | 116.9 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71 | -45.9 | 169.9 | 179.8 | 60.7 | 0 | 0 | 0 | 111.5 | S586 L587 E588 H592 N593 M594 | S586-L590 WeakPolarHBondContact O-CB 3.47Å; S586-L590 PolarHBondContact O-N 3.31Å; S586-L590 VanDerWaalsContact O-N 3.09Å; L587-L590 WeakPolarHBondContact O-CB 3.34Å; L587-L590 PolarHBondContact O-N 3.31Å; L587-L590 VanDerWaalsContact O-N 3.12Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 2.93Å; L590-H592 VanDerWaalsContact C-N 3.33Å; L590-H592 PolarHBondContact O-N 2.63Å; L590-N593 PolarHBondContact O-N 2.83Å; L590-M594 WeakPolarHBondContact O-CG 3.42Å; L590-M594 PolarHBondContact O-N 2.82Å |
| 591 | V | 82.9 | Confident | 71.3 | Confident | 74 Ų | 74 | 120.3 Ų | 120.3 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.2 | -49.4 | 175 | 170.4 | 0 | 0 | 0 | 0 | 110 | L587 E588 N593 M594 E595 | L587-V591 WeakPolarHBondContact O-CG2 3.36Å; L587-V591 PolarHBondContact O-N 2.94Å; E588-V591 PolarHBondContact O-N 3.14Å; V591-N593 VanDerWaalsContact C-N 3.3Å; V591-N593 PolarHBondContact O-N 3.47Å; V591-M594 WeakPolarHBondContact O-CA 3.28Å; V591-M594 WeakPolarHBondContact O-CB 3.3Å; V591-M594 PolarHBondContact O-N 3.26Å; V591-E595 HydrophobicContact CG1-CG 4.46Å; V591-E595 WeakPolarHBondContact O-CG 3.38Å; V591-E595 PolarHBondContact O-N 2.97Å |
| 592 | H | 76.8 | Confident | 72.7 | Confident | 114 Ų | 114 | 114 Ų | 114 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 179.6 | -164.1 | 53.7 | 0 | 0 | 0 | 113.4 | E588 L590 E595 R596 | E588-H592 PolarHBondContact O-N 3.11Å; L590-H592 VanDerWaalsContact C-N 3.33Å; L590-H592 PolarHBondContact O-N 2.63Å; H592-E595 IonicContact CE1-OE2 3.18Å; H592-E595 IonicContact CG-OE2 2.91Å; H592-E595 IonicContact ND1-OE2 3.83Å; H592-E595 PolarHBondContact ND1-OE2 2.97Å; H592-R596 WeakPolarHBondContact O-CB 3.3Å; H592-R596 PolarHBondContact O-N 2.97Å; H592-R596 VanDerWaalsContact O-N 3.11Å |
| 593 | N | 74.3 | Confident | 73.7 | Confident | 78 Ų | 78 | 113.6 Ų | 113.6 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 170.7 | -79.9 | -39.2 | 0 | 0 | 0 | 112.4 | Q589 L590 V591 R596 L597 | Q589-N593 WeakPolarHBondContact O-CB 3.46Å; Q589-N593 VanDerWaalsContact O-CG 3.28Å; Q589-N593 PolarHBondContact O-N 3.38Å; Q589-N593 VanDerWaalsContact O-N 3.12Å; Q589-N593 PolarHBondContact O-ND2 3.45Å; L590-N593 PolarHBondContact O-N 2.83Å; V591-N593 VanDerWaalsContact C-N 3.3Å; V591-N593 PolarHBondContact O-N 3.47Å; N593-R596 PolarHBondContact O-N 2.85Å; N593-L597 WeakPolarHBondContact O-CG 3.36Å; N593-L597 PolarHBondContact O-N 3.46Å; N593-L597 VanDerWaalsContact O-N 3.1Å |
| 594 | M | 79.4 | Confident | 75 | Confident | 95 Ų | 95 | 107.5 Ų | 107.5 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 174.8 | -68.6 | -168.9 | 73.3 | 0 | 0 | 112.2 | L590 V591 R596 L597 F598 | L590-M594 WeakPolarHBondContact O-CG 3.42Å; L590-M594 PolarHBondContact O-N 2.82Å; V591-M594 WeakPolarHBondContact O-CA 3.28Å; V591-M594 WeakPolarHBondContact O-CB 3.3Å; V591-M594 PolarHBondContact O-N 3.26Å; M594-R596 PolarHBondContact O-N 2.93Å; M594-L597 WeakPolarHBondContact O-CA 3.4Å; M594-L597 WeakPolarHBondContact O-CB 3.23Å; M594-L597 PolarHBondContact O-N 3.35Å; M594-F598 HydrophobicContact CB-CD2 4.47Å; M594-F598 HydrophobicContact CB-CE2 4.23Å; M594-F598 HydrophobicContact CE-CE2 4.17Å; M594-F598 HydrophobicContact CE-CZ 4.34Å; M594-F598 WeakPolarHBondContact O-CD2 3.27Å; M594-F598 PolarHBondContact O-N 2.91Å |
| 595 | E | 81.3 | Confident | 75.8 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -53.5 | -41.6 | 171.2 | -67.8 | 172.6 | 157.7 | 0 | 0 | 111.7 | V591 H592 L597 F598 T599 | V591-E595 HydrophobicContact CG1-CG 4.46Å; V591-E595 WeakPolarHBondContact O-CG 3.38Å; V591-E595 PolarHBondContact O-N 2.97Å; H592-E595 IonicContact CE1-OE2 3.18Å; H592-E595 IonicContact CG-OE2 2.91Å; H592-E595 IonicContact ND1-OE2 3.83Å; H592-E595 PolarHBondContact ND1-OE2 2.97Å; E595-L597 VanDerWaalsContact C-N 3.31Å; E595-L597 PolarHBondContact O-N 2.89Å; E595-F598 PolarHBondContact O-N 3.37Å; E595-T599 PolarHBondContact O-N 2.83Å; E595-T599 PolarHBondContact O-OG1 2.81Å |
| 596 | R | 75.6 | Confident | 76.5 | Confident | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.7 | -21.3 | 177.5 | -157.5 | 175.8 | -161.8 | 178.4 | 8 | 114 | H592 N593 M594 T599 R600 | H592-R596 WeakPolarHBondContact O-CB 3.3Å; H592-R596 PolarHBondContact O-N 2.97Å; H592-R596 VanDerWaalsContact O-N 3.11Å; N593-R596 PolarHBondContact O-N 2.85Å; M594-R596 PolarHBondContact O-N 2.93Å; R596-T599 WeakPolarHBondContact CA-OG1 3.37Å; R596-T599 PolarHBondContact O-OG1 3.02Å; R596-R600 WeakPolarHBondContact O-CD 3.32Å; R596-R600 VanDerWaalsContact O-CG 3.27Å; R596-R600 WeakPolarHBondContact O-CG 3.49Å |
| 597 | L | 79.8 | Confident | 76.8 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83.1 | -39.3 | 170.6 | -75.2 | 165.9 | 0 | 0 | 0 | 111.4 | N593 M594 E595 R600 F601 | N593-L597 WeakPolarHBondContact O-CG 3.36Å; N593-L597 PolarHBondContact O-N 3.46Å; N593-L597 VanDerWaalsContact O-N 3.1Å; M594-L597 WeakPolarHBondContact O-CA 3.4Å; M594-L597 WeakPolarHBondContact O-CB 3.23Å; M594-L597 PolarHBondContact O-N 3.35Å; E595-L597 VanDerWaalsContact C-N 3.31Å; E595-L597 PolarHBondContact O-N 2.89Å; L597-R600 PolarHBondContact O-N 2.82Å; L597-F601 WeakPolarHBondContact O-CB 3.47Å; L597-F601 PolarHBondContact O-N 3.14Å |
| 598 | F | 76.3 | Confident | 76.8 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -40.5 | 176.7 | -72.4 | -60.3 | 0 | 0 | 0 | 112.7 | M594 E595 F601 A602 | M594-F598 HydrophobicContact CB-CD2 4.47Å; M594-F598 HydrophobicContact CB-CE2 4.23Å; M594-F598 HydrophobicContact CE-CE2 4.17Å; M594-F598 HydrophobicContact CE-CZ 4.34Å; M594-F598 WeakPolarHBondContact O-CD2 3.27Å; M594-F598 PolarHBondContact O-N 2.91Å; E595-F598 PolarHBondContact O-N 3.37Å; F598-F601 PolarHBondContact O-N 3.48Å; F598-A602 PolarHBondContact O-N 3.39Å |
| 599 | T | 76.1 | Confident | 76.7 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 171.3 | 36 | 0 | 0 | 0 | 0 | 111.6 | E595 R596 F601 A602 D603 | E595-T599 PolarHBondContact O-N 2.83Å; E595-T599 PolarHBondContact O-OG1 2.81Å; R596-T599 WeakPolarHBondContact CA-OG1 3.37Å; R596-T599 PolarHBondContact O-OG1 3.02Å; T599-F601 PolarHBondContact O-N 2.89Å; T599-A602 WeakPolarHBondContact O-CA 3.37Å; T599-A602 WeakPolarHBondContact O-CB 3.33Å; T599-A602 PolarHBondContact O-N 3.32Å; T599-D603 VanDerWaalsContact O-CG 3.26Å; T599-D603 PolarHBondContact O-N 3.13Å |
| 600 | R | 76.6 | Confident | 76.9 | Confident | 150 Ų | 150 | 98.6 Ų | 98.6 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -32.2 | 173.8 | -75.7 | 175.7 | 171.5 | -167 | -3.1 | 113.9 | R596 L597 D603 V604 | R596-R600 WeakPolarHBondContact O-CD 3.32Å; R596-R600 VanDerWaalsContact O-CG 3.27Å; R596-R600 WeakPolarHBondContact O-CG 3.49Å; L597-R600 PolarHBondContact O-N 2.82Å; R600-D603 WeakPolarHBondContact CA-OD2 3.49Å; R600-V604 WeakPolarHBondContact O-CG2 3.44Å; R600-V604 PolarHBondContact O-N 2.91Å; R600-V604 VanDerWaalsContact O-N 3.13Å |
| 601 | F | 82.8 | Confident | 76.8 | Confident | 123 Ų | 123 | 98.4 Ų | 98.4 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 175.5 | -169.9 | -98.1 | 0 | 0 | 0 | 111.5 | L597 F598 T599 V604 Q605 | L597-F601 WeakPolarHBondContact O-CB 3.47Å; L597-F601 PolarHBondContact O-N 3.14Å; F598-F601 PolarHBondContact O-N 3.48Å; T599-F601 PolarHBondContact O-N 2.89Å; F601-V604 PolarHBondContact O-N 3.11Å; F601-Q605 HydrophobicContact CD1-CG 4.14Å; F601-Q605 VanDerWaalsContact CE1-CD 3.44Å; F601-Q605 HydrophobicContact CE1-CG 3.84Å; F601-Q605 HydrophobicContact CZ-CG 4.33Å; F601-Q605 WeakPolarHBondContact O-CG 3.46Å; F601-Q605 PolarHBondContact O-N 3.06Å |
| 602 | A | 77.1 | Confident | 76.3 | Confident | 52 Ų | 52 | 100.1 Ų | 100.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F598 T599 V604 Q605 Q606 | F598-A602 PolarHBondContact O-N 3.39Å; T599-A602 WeakPolarHBondContact O-CA 3.37Å; T599-A602 WeakPolarHBondContact O-CB 3.33Å; T599-A602 PolarHBondContact O-N 3.32Å; A602-V604 VanDerWaalsContact C-N 3.27Å; A602-V604 PolarHBondContact O-N 2.82Å; A602-Q605 PolarHBondContact O-N 3.23Å; A602-Q605 VanDerWaalsContact O-N 3.14Å; A602-Q606 PolarHBondContact O-N 2.9Å |
| 603 | D | 73.6 | Confident | 75.7 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.3 | -43 | 174.4 | -58.6 | -30 | 0 | 0 | 0 | 111.3 | T599 R600 Q606 C607 | T599-D603 VanDerWaalsContact O-CG 3.26Å; T599-D603 PolarHBondContact O-N 3.13Å; R600-D603 WeakPolarHBondContact CA-OD2 3.49Å; D603-Q606 PolarHBondContact O-N 3.23Å; D603-C607 WeakPolarHBondContact O-CB 3.01Å; D603-C607 PolarHBondContact O-N 3.32Å |
| 604 | V | 81.6 | Confident | 74.9 | Confident | 80 Ų | 80 | 103.1 Ų | 103.1 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 112 | R600 F601 A602 Q606 C607 L608 | R600-V604 WeakPolarHBondContact O-CG2 3.44Å; R600-V604 PolarHBondContact O-N 2.91Å; R600-V604 VanDerWaalsContact O-N 3.13Å; F601-V604 PolarHBondContact O-N 3.11Å; A602-V604 VanDerWaalsContact C-N 3.27Å; A602-V604 PolarHBondContact O-N 2.82Å; V604-Q606 VanDerWaalsContact C-N 3.33Å; V604-C607 PolarHBondContact O-N 2.96Å; V604-L608 HydrophobicContact CG1-CD1 3.92Å; V604-L608 HydrophobicContact CG1-CG 4.39Å; V604-L608 WeakPolarHBondContact O-CB 3.46Å; V604-L608 VanDerWaalsContact O-CG 3.27Å; V604-L608 WeakPolarHBondContact O-CG 3.11Å; V604-L608 PolarHBondContact O-N 3.3Å |
| 605 | Q | 75.4 | Confident | 74.1 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 174.8 | -75 | -166.5 | -47.9 | 0 | 0 | 112.8 | F601 A602 T609 | F601-Q605 HydrophobicContact CD1-CG 4.14Å; F601-Q605 VanDerWaalsContact CE1-CD 3.44Å; F601-Q605 HydrophobicContact CE1-CG 3.84Å; F601-Q605 HydrophobicContact CZ-CG 4.33Å; F601-Q605 WeakPolarHBondContact O-CG 3.46Å; F601-Q605 PolarHBondContact O-N 3.06Å; A602-Q605 PolarHBondContact O-N 3.23Å; A602-Q605 VanDerWaalsContact O-N 3.14Å; Q605-T609 WeakPolarHBondContact O-CB 3.48Å; Q605-T609 PolarHBondContact O-N 2.69Å; Q605-T609 PolarHBondContact O-OG1 3.46Å |
| 606 | Q | 76.6 | Confident | 73.2 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -48.7 | 171.5 | -178.9 | 174.8 | -30 | 0 | 0 | 110.6 | A602 D603 V604 L608 T609 E610 | A602-Q606 PolarHBondContact O-N 2.9Å; D603-Q606 PolarHBondContact O-N 3.23Å; V604-Q606 VanDerWaalsContact C-N 3.33Å; Q606-L608 VanDerWaalsContact C-N 3.32Å; Q606-L608 PolarHBondContact O-N 3.46Å; Q606-T609 CarbonylContact O-C 3.53Å; Q606-T609 WeakPolarHBondContact O-CA 3.46Å; Q606-T609 VanDerWaalsContact O-CB 3.27Å; Q606-T609 WeakPolarHBondContact O-CB 3.37Å; Q606-T609 PolarHBondContact O-N 2.88Å; Q606-E610 HydrophobicContact CG-CG 4.48Å; Q606-E610 WeakPolarHBondContact CG-OE1 3.46Å; Q606-E610 PolarHBondContact NE2-OE1 3.27Å; Q606-E610 WeakPolarHBondContact O-CG 3.39Å; Q606-E610 PolarHBondContact O-N 2.89Å |
| 607 | C | 69.8 | Low | 71.9 | Confident | 63 Ų | 63 | 104.8 Ų | 104.8 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 178.2 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | D603 V604 T609 E610 I611 | D603-C607 WeakPolarHBondContact O-CB 3.01Å; D603-C607 PolarHBondContact O-N 3.32Å; V604-C607 PolarHBondContact O-N 2.96Å; C607-T609 VanDerWaalsContact C-N 3.3Å; C607-T609 PolarHBondContact O-N 3.36Å; C607-E610 PolarHBondContact O-N 3.1Å; C607-I611 WeakPolarHBondContact O-CB 3.34Å; C607-I611 WeakPolarHBondContact O-CD1 3.39Å; C607-I611 VanDerWaalsContact O-CG1 3.23Å; C607-I611 WeakPolarHBondContact O-CG1 3.49Å; C607-I611 PolarHBondContact O-N 3.35Å |
| 608 | L | 73.8 | Confident | 70.6 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -29.9 | 172.4 | -72.2 | 171 | 0 | 0 | 0 | 113 | V604 Q606 R612 | V604-L608 HydrophobicContact CG1-CD1 3.92Å; V604-L608 HydrophobicContact CG1-CG 4.39Å; V604-L608 WeakPolarHBondContact O-CB 3.46Å; V604-L608 VanDerWaalsContact O-CG 3.27Å; V604-L608 WeakPolarHBondContact O-CG 3.11Å; V604-L608 PolarHBondContact O-N 3.3Å; Q606-L608 VanDerWaalsContact C-N 3.32Å; Q606-L608 PolarHBondContact O-N 3.46Å; L608-R612 WeakPolarHBondContact O-CB 3.5Å; L608-R612 PolarHBondContact O-N 2.95Å |
| 609 | T | 72.8 | Confident | 69.4 | Low | 47 Ų | 47 | 105.5 Ų | 105.5 | 29% | 0.288 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -48.4 | 171.6 | -74.3 | 0 | 0 | 0 | 0 | 110.8 | Q605 Q606 C607 I611 R612 D613 | Q605-T609 WeakPolarHBondContact O-CB 3.48Å; Q605-T609 PolarHBondContact O-N 2.69Å; Q605-T609 PolarHBondContact O-OG1 3.46Å; Q606-T609 CarbonylContact O-C 3.53Å; Q606-T609 WeakPolarHBondContact O-CA 3.46Å; Q606-T609 VanDerWaalsContact O-CB 3.27Å; Q606-T609 WeakPolarHBondContact O-CB 3.37Å; Q606-T609 PolarHBondContact O-N 2.88Å; C607-T609 VanDerWaalsContact C-N 3.3Å; C607-T609 PolarHBondContact O-N 3.36Å; T609-I611 VanDerWaalsContact C-N 3.34Å; T609-I611 PolarHBondContact O-N 3.39Å; T609-R612 VanDerWaalsContact CB-NH2 3.31Å; T609-R612 WeakPolarHBondContact O-CB 3.49Å; T609-R612 PolarHBondContact O-N 3.47Å; T609-R612 VanDerWaalsContact O-N 3.16Å; T609-R612 PolarHBondContact OG1-NH1 2.89Å; T609-R612 PolarHBondContact OG1-NH2 3.45Å; T609-D613 WeakPolarHBondContact O-CB 3.27Å; T609-D613 PolarHBondContact O-N 2.98Å |
| 610 | E | 75 | Confident | 67.9 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 42% | 0.416 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.1 | -44.1 | 174.9 | -68.8 | 168.6 | -169.4 | 0 | 0 | 111.5 | Q606 C607 R612 D613 Y614 | Q606-E610 HydrophobicContact CG-CG 4.48Å; Q606-E610 WeakPolarHBondContact CG-OE1 3.46Å; Q606-E610 PolarHBondContact NE2-OE1 3.27Å; Q606-E610 WeakPolarHBondContact O-CG 3.39Å; Q606-E610 PolarHBondContact O-N 2.89Å; C607-E610 PolarHBondContact O-N 3.1Å; E610-R612 PolarHBondContact O-N 3.36Å; E610-D613 PolarHBondContact O-N 3.18Å; E610-Y614 WeakPolarHBondContact O-CB 3.48Å; E610-Y614 VanDerWaalsContact O-CD2 3.3Å; E610-Y614 WeakPolarHBondContact O-CD2 3.47Å; E610-Y614 PolarHBondContact O-N 3.47Å |
| 611 | I | 75.6 | Confident | 66.2 | Low | 92 Ų | 92 | 108.5 Ų | 108.5 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -42.7 | 175.8 | -69.8 | 163.5 | 0 | 0 | 0 | 111.8 | C607 T609 D613 Y614 T615 | C607-I611 WeakPolarHBondContact O-CB 3.34Å; C607-I611 WeakPolarHBondContact O-CD1 3.39Å; C607-I611 VanDerWaalsContact O-CG1 3.23Å; C607-I611 WeakPolarHBondContact O-CG1 3.49Å; C607-I611 PolarHBondContact O-N 3.35Å; T609-I611 VanDerWaalsContact C-N 3.34Å; T609-I611 PolarHBondContact O-N 3.39Å; I611-D613 VanDerWaalsContact C-N 3.35Å; I611-Y614 PolarHBondContact O-N 2.98Å; I611-T615 PolarHBondContact O-N 3.09Å; I611-T615 PolarHBondContact O-OG1 3.12Å |
| 612 | R | 71.4 | Confident | 64.5 | Low | 110 Ų | 110 | 108 Ų | 108 | 42% | 0.415 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.3 | -45.8 | 174.4 | 177.4 | -174.5 | 62.7 | -123 | -6.6 | 110.6 | L608 T609 E610 Y614 T615 Q616 | L608-R612 WeakPolarHBondContact O-CB 3.5Å; L608-R612 PolarHBondContact O-N 2.95Å; T609-R612 VanDerWaalsContact CB-NH2 3.31Å; T609-R612 WeakPolarHBondContact O-CB 3.49Å; T609-R612 PolarHBondContact O-N 3.47Å; T609-R612 VanDerWaalsContact O-N 3.16Å; T609-R612 PolarHBondContact OG1-NH1 2.89Å; T609-R612 PolarHBondContact OG1-NH2 3.45Å; E610-R612 PolarHBondContact O-N 3.36Å; R612-Y614 VanDerWaalsContact C-N 3.34Å; R612-Y614 PolarHBondContact O-N 3.12Å; R612-T615 WeakPolarHBondContact CA-OG1 3.43Å; R612-T615 PolarHBondContact O-N 2.97Å; R612-T615 VanDerWaalsContact O-N 3.12Å; R612-T615 PolarHBondContact O-OG1 3.47Å; R612-Q616 HydrophobicContact CG-CG 4.45Å; R612-Q616 WeakPolarHBondContact O-CG 3.32Å; R612-Q616 PolarHBondContact O-N 3Å |
| 613 | D | 64.3 | Low | 63 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 33% | 0.332 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.7 | -31 | -176.1 | -59.2 | -3.1 | 0 | 0 | 0 | 110.9 | T609 E610 I611 N617 | T609-D613 WeakPolarHBondContact O-CB 3.27Å; T609-D613 PolarHBondContact O-N 2.98Å; E610-D613 PolarHBondContact O-N 3.18Å; I611-D613 VanDerWaalsContact C-N 3.35Å; D613-N617 VanDerWaalsContact O-CB 3.28Å; D613-N617 WeakPolarHBondContact O-CB 3.49Å; D613-N617 PolarHBondContact O-N 3.08Å; D613-N617 PolarHBondContact O-ND2 3.01Å |
| 614 | Y | 57.2 | Low | 62.3 | Low | 194 Ų | 194 | 114.1 Ų | 114.1 | 76% | 0.761 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.2 | -35.7 | 168 | -97.4 | -73.8 | 0 | 0 | 0 | 113.4 | E610 I611 R612 | E610-Y614 WeakPolarHBondContact O-CB 3.48Å; E610-Y614 VanDerWaalsContact O-CD2 3.3Å; E610-Y614 WeakPolarHBondContact O-CD2 3.47Å; E610-Y614 PolarHBondContact O-N 3.47Å; I611-Y614 PolarHBondContact O-N 2.98Å; R612-Y614 VanDerWaalsContact C-N 3.34Å; R612-Y614 PolarHBondContact O-N 3.12Å |
| 615 | T | 62.8 | Low | 61.3 | Low | 109 Ų | 109 | 120.3 Ų | 120.3 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81.4 | -23.9 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | I611 R612 | I611-T615 PolarHBondContact O-N 3.09Å; I611-T615 PolarHBondContact O-OG1 3.12Å; R612-T615 WeakPolarHBondContact CA-OG1 3.43Å; R612-T615 PolarHBondContact O-N 2.97Å; R612-T615 VanDerWaalsContact O-N 3.12Å; R612-T615 PolarHBondContact O-OG1 3.47Å |
| 616 | Q | 62.1 | Low | 61 | Low | 143 Ų | 143 | 118.9 Ų | 118.9 | 67% | 0.668 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -86.2 | -38.2 | 174.7 | -69.5 | -176.7 | 3 | 0 | 0 | 113.1 | R612 G618 | R612-Q616 HydrophobicContact CG-CG 4.45Å; R612-Q616 WeakPolarHBondContact O-CG 3.32Å; R612-Q616 PolarHBondContact O-N 3Å; Q616-G618 PolarHBondContact O-N 2.67Å |
| 617 | N | 49.9 | Very low | 60.5 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 68% | 0.684 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -81.5 | 53.5 | 178 | -67.7 | -65.7 | 0 | 0 | 0 | 112.6 | D613 | D613-N617 VanDerWaalsContact O-CB 3.28Å; D613-N617 WeakPolarHBondContact O-CB 3.49Å; D613-N617 PolarHBondContact O-N 3.08Å; D613-N617 PolarHBondContact O-ND2 3.01Å |
| 618 | G | 52 | Low | 60.6 | Low | 56 Ų | 56 | 122 Ų | 122 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | trans | -59.3 | 140.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q616 | Q616-G618 PolarHBondContact O-N 2.67Š| ||
| 619 | K | 50.8 | Low | 60.5 | Low | 206 Ų | 206 | 122.6 Ų | 122.6 | 90% | 0.896 | 64% | 0.644 | S | S | * | * | trans | 82 | 77 | -178.1 | -51.4 | 174.9 | -176.8 | 175.2 | 0 | 116.2 | ||||
| 620 | K | 45.6 | Very low | 60.7 | Low | 205 Ų | 205 | 124.7 Ų | 124.7 | 89% | 0.891 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | -98.8 | 139.4 | 121.1 | -73.1 | -179.3 | -179.8 | 176.8 | 0 | 107.5 | |||
| 621 | A | 39.9 | Very low | 61.1 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 622 | P | 47.7 | Very low | 61.8 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 141.6 | 170.7 | 27.8 | -34.5 | 0 | 0 | 0 | 109.9 | V624 | P622-V624 PolarHBondContact O-N 3.28Å; P622-V624 VanDerWaalsContact O-N 3.08Å |
| 623 | M | 46.1 | Very low | 62.7 | Low | 148 Ų | 148 | 117.7 Ų | 117.7 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | trans | -61.5 | 111.5 | 174.1 | -72.8 | 165.7 | 165.4 | 0 | 0 | 109.4 | Y625 D658 | M623-Y625 PolarHBondContact O-N 3.36Å; M623-D658 VanDerWaalsContact CE-OD2 3.23Å; M623-D658 WeakPolarHBondContact CE-OD2 3.35Å | ||
| 624 | V | 57.7 | Low | 64.1 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 81% | 0.812 | 61% | 0.612 | S | S | * | * | trans | -79.4 | 112.3 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | P622 | P622-V624 PolarHBondContact O-N 3.28Å; P622-V624 VanDerWaalsContact O-N 3.08Å | ||
| 625 | Y | 61.1 | Low | 65.8 | Low | 211 Ų | 211 | 106.4 Ų | 106.4 | 83% | 0.827 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.4 | 174.6 | -73.3 | -78.9 | 0 | 0 | 0 | 110.5 | M623 | M623-Y625 PolarHBondContact O-N 3.36Š|
| 626 | P | 68.3 | Low | 67.4 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 51% | 0.506 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.2 | -177.7 | 25.6 | -34.3 | 0 | 0 | 0 | 111.4 | P632 | P626-P632 HydrophobicContact CB-CG 4.19Å; P626-P632 HydrophobicContact CG-CG 3.9Å |
| 627 | N | 66.4 | Low | 68.9 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -68 | 139.1 | 179.7 | -169.3 | -11.9 | 0 | 0 | 0 | 110.7 | T629 D630 | N627-T629 VanDerWaalsContact CG-OG1 3.3Å; N627-T629 PolarHBondContact ND2-OG1 3.16Å; N627-T629 PolarHBondContact O-N 3.38Å; N627-T629 PolarHBondContact OD1-N 2.75Å; N627-D630 CarbonylContact O-C 3.58Å; N627-D630 PolarHBondContact O-N 3.35Å |
| 628 | V | 71.6 | Confident | 70.9 | Confident | 134 Ų | 134 | 89.5 Ų | 89.5 | 81% | 0.812 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -23.8 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 629 | T | 72.6 | Confident | 72.6 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 71% | 0.712 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.2 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | N627 | N627-T629 VanDerWaalsContact CG-OG1 3.3Å; N627-T629 PolarHBondContact ND2-OG1 3.16Å; N627-T629 PolarHBondContact O-N 3.38Å; N627-T629 PolarHBondContact OD1-N 2.75Å |
| 630 | D | 77 | Confident | 74.2 | Confident | 92 Ų | 92 | 84.3 Ų | 84.3 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -143.8 | 77.2 | 172.8 | -165.2 | 31.7 | 0 | 0 | 0 | 111.2 | N627 K701 | N627-D630 CarbonylContact O-C 3.58Å; N627-D630 PolarHBondContact O-N 3.35Å; D630-K701 IonicContact OD1-NZ 3.92Å; D630-K701 PolarHBondContact OD1-NZ 2.85Å; D630-K701 IonicContact OD2-NZ 3.85Å |
| 631 | P | 84.1 | Confident | 75.7 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | trans | -70.5 | 131.6 | -176.8 | 27.3 | -32.5 | 0 | 0 | 0 | 111 | Y633 L655 | P631-Y633 HydrophobicContact CG-CD1 4.22Å; P631-Y633 VanDerWaalsContact O-CD1 3.3Å; P631-Y633 WeakPolarHBondContact O-CD1 3.3Å; P631-Y633 PolarHBondContact O-N 3.13Å; P631-Y633 VanDerWaalsContact O-N 3.14Å; P631-L655 HydrophobicContact CB-CD2 3.98Å | ||
| 632 | P | 88.6 | Confident | 77.1 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 16% | 0.156 | 42% | 0.423 | C | S | . | . | trans | -76 | 103.4 | 173.4 | 30.8 | -33.4 | 0 | 0 | 0 | 109.7 | P626 L656 P700 | P626-P632 HydrophobicContact CB-CG 4.19Å; P626-P632 HydrophobicContact CG-CG 3.9Å; P632-L656 HydrophobicContact CB-CB 4.35Å; P632-L656 PolarHBondContact O-N 2.82Å; P632-P700 HydrophobicContact CB-CG 4.05Å | ||
| 633 | Y | 91.6 | Very high | 78.2 | Confident | 69 Ų | 69 | 77.3 Ų | 77.3 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 161.3 | 175.7 | 72.6 | -89.8 | 0 | 0 | 0 | 111.7 | P631 P653 V654 P700 K701 | P631-Y633 HydrophobicContact CG-CD1 4.22Å; P631-Y633 VanDerWaalsContact O-CD1 3.3Å; P631-Y633 WeakPolarHBondContact O-CD1 3.3Å; P631-Y633 PolarHBondContact O-N 3.13Å; P631-Y633 VanDerWaalsContact O-N 3.14Å; Y633-P653 HydrophobicContact CD2-CB 3.62Å; Y633-P653 HydrophobicContact CE2-CB 4.02Å; Y633-P653 HydrophobicContact CG-CB 4.33Å; Y633-V654 CarbonylContact C-O 3.54Å; Y633-V654 WeakPolarHBondContact CA-O 3.2Å; Y633-V654 WeakPolarHBondContact CB-O 3.38Å; Y633-P700 CarbonylContact O-C 3.59Å; Y633-K701 HydrophobicContact CE1-CG 4.09Å; Y633-K701 HydrophobicContact CE2-CG 4.47Å; Y633-K701 PolarHBondContact O-N 3.41Å |
| 634 | V | 94 | Very high | 79.3 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 152.2 | 168.4 | -68.5 | 0 | 0 | 0 | 0 | 110.8 | V636 P653 V654 L656 L661 F698 D702 | V634-V636 HydrophobicContact CG2-CG2 3.99Å; V634-V636 PolarHBondContact O-N 2.85Å; V634-P653 CarbonylContact O-C 3.48Å; V634-P653 WeakPolarHBondContact O-CA 3.4Å; V634-V654 HydrophobicContact CG2-CB 4.47Å; V634-V654 PolarHBondContact N-O 2.85Å; V634-V654 PolarHBondContact O-N 2.93Å; V634-L656 HydrophobicContact CG1-CD1 3.95Å; V634-L656 HydrophobicContact CG1-CD2 3.91Å; V634-L656 HydrophobicContact CG1-CG 4.12Å; V634-L656 HydrophobicContact CG2-CD2 4.16Å; V634-L661 HydrophobicContact CG2-CD1 3.89Å; V634-L661 HydrophobicContact CG2-CD2 4.13Å; V634-F698 HydrophobicContact CG1-CB 3.77Å; V634-F698 HydrophobicContact CG1-CG 4.41Å; V634-D702 HydrophobicContact CG1-CB 4.18Å |
| 635 | N | 92.8 | Very high | 79.7 | Confident | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.107 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 100.9 | 173.2 | -63.4 | -87.3 | 0 | 0 | 0 | 109.4 | R651 K701 D702 E703 L704 | N635-R651 PolarHBondContact OD1-NH2 2.68Å; N635-K701 PolarHBondContact ND2-O 2.95Å; N635-D702 PolarHBondContact N-O 3.02Å; N635-E703 HydrophobicContact CB-CB 4.46Å; N635-E703 HydrophobicContact CB-CG 4.17Å; N635-E703 WeakPolarHBondContact O-CA 3.38Å; N635-L704 PolarHBondContact O-N 3.46Å |
| 636 | V | 95.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 135.7 | 174.4 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | V634 R651 R652 V654 I666 Y670 L704 V706 | V634-V636 HydrophobicContact CG2-CG2 3.99Å; V634-V636 PolarHBondContact O-N 2.85Å; V636-R651 CarbonylContact O-C 3.54Å; V636-R651 VanDerWaalsContact O-CA 3.26Å; V636-R651 WeakPolarHBondContact O-CA 3.26Å; V636-R652 PolarHBondContact N-O 3.36Å; V636-R652 PolarHBondContact O-N 3.1Å; V636-V654 HydrophobicContact CB-CG2 4.2Å; V636-V654 HydrophobicContact CG2-CB 4.12Å; V636-V654 HydrophobicContact CG2-CG2 3.69Å; V636-I666 HydrophobicContact CG1-CG2 4.42Å; V636-Y670 HydrophobicContact CB-CE2 4.16Å; V636-Y670 HydrophobicContact CG1-CE2 3.66Å; V636-Y670 PolarHBondContact O-OH 2.83Å; V636-L704 CarbonylContact C-O 3.46Å; V636-L704 WeakPolarHBondContact CA-O 3.49Å; V636-L704 HydrophobicContact CG2-CD2 4.48Å; V636-V706 HydrophobicContact CG1-CB 4.48Å; V636-V706 HydrophobicContact CG1-CG1 4.1Å; V636-V706 HydrophobicContact CG1-CG2 3.55Å |
| 637 | T | 93.2 | Very high | 80.6 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 106.6 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 108.4 | D649 R651 L704 T705 V706 | T637-D649 HydrophobicContact CG2-CB 3.8Å; T637-R651 HydrophobicContact CG2-CB 4.48Å; T637-L704 PolarHBondContact N-O 3.47Å; T637-T705 CarbonylContact O-C 3.6Å; T637-T705 WeakPolarHBondContact O-CA 3.22Å; T637-V706 PolarHBondContact O-N 2.71Å |
| 638 | C | 92.1 | Very high | 81.4 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 112.5 | 179.9 | 178 | 0 | 0 | 0 | 0 | 111.4 | K640 D649 E650 Y670 V706 | C638-K640 PolarHBondContact O-N 2.86Å; C638-D649 WeakPolarHBondContact O-CA 3.45Å; C638-E650 PolarHBondContact N-O 3.12Å; C638-E650 PolarHBondContact O-N 3.12Å; C638-Y670 HydrophobicContact CB-CD1 3.25Å; C638-Y670 HydrophobicContact CB-CD2 3.96Å; C638-Y670 HydrophobicContact CB-CE1 3.32Å; C638-Y670 HydrophobicContact CB-CE2 4.04Å; C638-Y670 HydrophobicContact CB-CG 3.55Å; C638-V706 CarbonylContact C-O 3.52Å; C638-V706 WeakPolarHBondContact CA-O 3.37Å; C638-V706 HydrophobicContact CB-CG2 3.98Å |
| 639 | Q | 89.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 23% | 0.229 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 112.4 | 171.4 | 178.4 | 162.9 | 95 | 0 | 0 | 110.9 | F647 D649 V706 R707 | Q639-F647 HydrophobicContact CG-CB 4.12Å; Q639-F647 HydrophobicContact CG-CD1 3.68Å; Q639-F647 HydrophobicContact CG-CG 4.19Å; Q639-D649 VanDerWaalsContact CA-OD1 3.26Å; Q639-D649 WeakPolarHBondContact CA-OD1 3.42Å; Q639-D649 VanDerWaalsContact CB-OD1 3.27Å; Q639-D649 WeakPolarHBondContact CB-OD1 3.41Å; Q639-D649 WeakPolarHBondContact CG-OD1 3.43Å; Q639-D649 PolarHBondContact NE2-OD1 3.07Å; Q639-V706 PolarHBondContact N-O 3.42Å; Q639-R707 HydrophobicContact CB-CB 4.3Å |
| 640 | K | 83.4 | Confident | 82.9 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 108.1 | -173.4 | -169.2 | 174 | -173 | 169.1 | 0 | 110.8 | C638 L642 F647 I648 | C638-K640 PolarHBondContact O-N 2.86Å; K640-L642 PolarHBondContact O-N 2.86Å; K640-F647 WeakPolarHBondContact O-CA 3.16Å; K640-I648 WeakPolarHBondContact CB-O 3.34Å; K640-I648 PolarHBondContact N-O 2.88Å; K640-I648 PolarHBondContact O-N 3.07Å |
| 641 | Q | 78.3 | Confident | 83.7 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.9 | 176.5 | -166.2 | 178.5 | 27.1 | 0 | 0 | 110.9 | S643 E644 F647 | Q641-S643 WeakPolarHBondContact CG-O 3.32Å; Q641-S643 PolarHBondContact NE2-O 2.91Å; Q641-E644 PolarHBondContact NE2-O 2.98Å; Q641-F647 HydrophobicContact CB-CD1 3.78Å; Q641-F647 HydrophobicContact CB-CE1 3.65Å; Q641-F647 HydrophobicContact CG-CD1 4.03Å; Q641-F647 HydrophobicContact CG-CE1 3.63Å; Q641-F647 HydrophobicContact CG-CZ 4.08Å |
| 642 | L | 69.3 | Low | 84 | Confident | 101 Ų | 101 | 71 Ų | 71 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -43.2 | 175.4 | -65.4 | -172.3 | 0 | 0 | 0 | 112 | K640 V646 I648 | K640-L642 PolarHBondContact O-N 2.86Å; L642-V646 HydrophobicContact CB-CG1 4.48Å; L642-V646 PolarHBondContact N-O 3.49Å; L642-I648 HydrophobicContact CD1-CD1 3.53Å; L642-I648 HydrophobicContact CD1-CG1 3.87Å; L642-I648 HydrophobicContact CG-CD1 4.48Å; L642-I648 HydrophobicContact CG-CG1 4.4Å |
| 643 | S | 70.3 | Confident | 84.1 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 175.5 | 173.5 | 72 | 0 | 0 | 0 | 0 | 109.7 | Q641 N645 V646 | Q641-S643 WeakPolarHBondContact CG-O 3.32Å; Q641-S643 PolarHBondContact NE2-O 2.91Å; S643-N645 PolarHBondContact O-N 2.81Å; S643-V646 PolarHBondContact N-O 3.17Å; S643-V646 PolarHBondContact O-N 3.38Å; S643-V646 VanDerWaalsContact O-N 3.12Å; S643-V646 WeakPolarHBondContact OG-CB 3.47Å; S643-V646 WeakPolarHBondContact OG-CG2 3.33Å |
| 644 | E | 69.1 | Low | 84.1 | Confident | 150 Ų | 150 | 71.8 Ų | 71.8 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -36.2 | -170.1 | -64.1 | -173.2 | 134.6 | 0 | 0 | 113.9 | Q641 | Q641-E644 PolarHBondContact NE2-O 2.98Š|
| 645 | N | 65.8 | Low | 84 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 79% | 0.786 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 15.6 | 179.5 | -63.9 | -58.1 | 0 | 0 | 0 | 114.6 | S643 | S643-N645 PolarHBondContact O-N 2.81Š|
| 646 | V | 71.3 | Confident | 83.8 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.4 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 111 | L642 S643 | L642-V646 HydrophobicContact CB-CG1 4.48Å; L642-V646 PolarHBondContact N-O 3.49Å; S643-V646 PolarHBondContact N-O 3.17Å; S643-V646 PolarHBondContact O-N 3.38Å; S643-V646 VanDerWaalsContact O-N 3.12Å; S643-V646 WeakPolarHBondContact OG-CB 3.47Å; S643-V646 WeakPolarHBondContact OG-CG2 3.33Å |
| 647 | F | 77.6 | Confident | 83.4 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.2 | 176.1 | -58.4 | -89.5 | 0 | 0 | 0 | 109.9 | Q639 K640 Q641 | Q639-F647 HydrophobicContact CG-CB 4.12Å; Q639-F647 HydrophobicContact CG-CD1 3.68Å; Q639-F647 HydrophobicContact CG-CG 4.19Å; K640-F647 WeakPolarHBondContact O-CA 3.16Å; Q641-F647 HydrophobicContact CB-CD1 3.78Å; Q641-F647 HydrophobicContact CB-CE1 3.65Å; Q641-F647 HydrophobicContact CG-CD1 4.03Å; Q641-F647 HydrophobicContact CG-CE1 3.63Å; Q641-F647 HydrophobicContact CG-CZ 4.08Å |
| 648 | I | 82 | Confident | 82.9 | Confident | 97 Ų | 97 | 85 Ų | 85 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131 | 165.2 | -63.2 | -169.6 | 0 | 0 | 0 | 107.8 | K640 L642 | K640-I648 WeakPolarHBondContact CB-O 3.34Å; K640-I648 PolarHBondContact N-O 2.88Å; K640-I648 PolarHBondContact O-N 3.07Å; L642-I648 HydrophobicContact CD1-CD1 3.53Å; L642-I648 HydrophobicContact CD1-CG1 3.87Å; L642-I648 HydrophobicContact CG-CD1 4.48Å; L642-I648 HydrophobicContact CG-CG1 4.4Å |
| 649 | D | 88.1 | Confident | 82.5 | Confident | 90 Ų | 90 | 85.8 Ų | 85.8 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.7 | 179.5 | -67.6 | -19.9 | 0 | 0 | 0 | 110.1 | T637 C638 Q639 | T637-D649 HydrophobicContact CG2-CB 3.8Å; C638-D649 WeakPolarHBondContact O-CA 3.45Å; Q639-D649 VanDerWaalsContact CA-OD1 3.26Å; Q639-D649 WeakPolarHBondContact CA-OD1 3.42Å; Q639-D649 VanDerWaalsContact CB-OD1 3.27Å; Q639-D649 WeakPolarHBondContact CB-OD1 3.41Å; Q639-D649 WeakPolarHBondContact CG-OD1 3.43Å; Q639-D649 PolarHBondContact NE2-OD1 3.07Å |
| 650 | E | 89.3 | Confident | 82.6 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 101.8 | -176.9 | -168.9 | -177 | 159.2 | 0 | 0 | 111.2 | C638 R652 Y670 | C638-E650 PolarHBondContact N-O 3.12Å; C638-E650 PolarHBondContact O-N 3.12Å; E650-R652 IonicContact OE1-CZ 3.98Å; E650-R652 IonicContact OE1-NE 3.95Å; E650-R652 PolarHBondContact OE1-NE 3.47Å; E650-R652 IonicContact OE1-NH2 2.8Å; E650-R652 PolarHBondContact OE1-NH2 2.85Å; E650-Y670 HydrophobicContact CB-CD1 4.5Å; E650-Y670 HydrophobicContact CB-CE1 3.97Å; E650-Y670 HydrophobicContact CG-CE1 3.98Å; E650-Y670 VanDerWaalsContact O-CE1 3.22Å; E650-Y670 WeakPolarHBondContact O-CE1 3.45Å; E650-Y670 PolarHBondContact O-OH 2.91Å |
| 651 | R | 91.9 | Very high | 83.1 | Confident | 124 Ų | 124 | 81.6 Ų | 81.6 | 47% | 0.468 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.7 | -177.3 | -176.9 | 173.3 | 169.9 | 143.8 | -1.6 | 112.8 | N635 V636 T637 E703 | N635-R651 PolarHBondContact OD1-NH2 2.68Å; V636-R651 CarbonylContact O-C 3.54Å; V636-R651 VanDerWaalsContact O-CA 3.26Å; V636-R651 WeakPolarHBondContact O-CA 3.26Å; T637-R651 HydrophobicContact CG2-CB 4.48Å; R651-E703 IonicContact CZ-OE1 2.7Å; R651-E703 IonicContact CZ-OE2 2.83Å; R651-E703 IonicContact NH1-OE1 2.75Å; R651-E703 PolarHBondContact NH1-OE1 3.37Å; R651-E703 IonicContact NH1-OE2 3.15Å; R651-E703 PolarHBondContact NH1-OE2 3.38Å; R651-E703 IonicContact NH2-OE1 3.48Å; R651-E703 PolarHBondContact NH2-OE1 3.25Å |
| 652 | R | 90.9 | Very high | 83.8 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.8 | 176 | -60.3 | -175.2 | 180 | -137 | 5.7 | 111.6 | V636 E650 L669 Y670 | V636-R652 PolarHBondContact N-O 3.36Å; V636-R652 PolarHBondContact O-N 3.1Å; E650-R652 IonicContact OE1-CZ 3.98Å; E650-R652 IonicContact OE1-NE 3.95Å; E650-R652 PolarHBondContact OE1-NE 3.47Å; E650-R652 IonicContact OE1-NH2 2.8Å; E650-R652 PolarHBondContact OE1-NH2 2.85Å; R652-L669 HydrophobicContact CB-CD2 4.26Å; R652-Y670 HydrophobicContact CG-CE1 4.41Å; R652-Y670 PolarHBondContact N-OH 3.3Å |
| 653 | P | 91.7 | Very high | 84.9 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 139.2 | 170 | 31.5 | -33.1 | 0 | 0 | 0 | 111 | Y633 V634 | Y633-P653 HydrophobicContact CD2-CB 3.62Å; Y633-P653 HydrophobicContact CE2-CB 4.02Å; Y633-P653 HydrophobicContact CG-CB 4.33Å; V634-P653 CarbonylContact O-C 3.48Å; V634-P653 WeakPolarHBondContact O-CA 3.4Å |
| 654 | V | 91.8 | Very high | 85.9 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 11% | 0.109 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.1 | 178.4 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | Y633 V634 V636 L661 L669 | Y633-V654 CarbonylContact C-O 3.54Å; Y633-V654 WeakPolarHBondContact CA-O 3.2Å; Y633-V654 WeakPolarHBondContact CB-O 3.38Å; V634-V654 HydrophobicContact CG2-CB 4.47Å; V634-V654 PolarHBondContact N-O 2.85Å; V634-V654 PolarHBondContact O-N 2.93Å; V636-V654 HydrophobicContact CB-CG2 4.2Å; V636-V654 HydrophobicContact CG2-CB 4.12Å; V636-V654 HydrophobicContact CG2-CG2 3.69Å; V654-L661 HydrophobicContact CB-CD1 4.17Å; V654-L661 HydrophobicContact CG1-CD1 3.68Å; V654-L669 HydrophobicContact CG2-CD2 3.73Å |
| 655 | L | 91.1 | Very high | 87 | Confident | 117 Ų | 117 | 74.2 Ų | 74.2 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 145.1 | 179.8 | -72.7 | 166.9 | 0 | 0 | 0 | 112.2 | P631 | P631-L655 HydrophobicContact CB-CD2 3.98Å |
| 656 | L | 88.9 | Confident | 88.2 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -96.8 | 142.3 | 171.7 | -60.9 | 173.6 | 0 | 0 | 0 | 110.2 | P632 V634 K660 L661 F698 | P632-L656 HydrophobicContact CB-CB 4.35Å; P632-L656 PolarHBondContact O-N 2.82Å; V634-L656 HydrophobicContact CG1-CD1 3.95Å; V634-L656 HydrophobicContact CG1-CD2 3.91Å; V634-L656 HydrophobicContact CG1-CG 4.12Å; V634-L656 HydrophobicContact CG2-CD2 4.16Å; L656-K660 CarbonylContact C-O 3.47Å; L656-K660 VanDerWaalsContact CA-O 3.3Å; L656-K660 WeakPolarHBondContact CA-O 3.34Å; L656-L661 HydrophobicContact CD2-CB 3.99Å; L656-L661 HydrophobicContact CD2-CD1 4.11Å; L656-F698 HydrophobicContact CD1-CB 4.1Å; L656-F698 HydrophobicContact CD2-CB 4Å; L656-F698 HydrophobicContact CD2-CD2 4.21Å; L656-F698 HydrophobicContact CD2-CG 4.4Å | ||
| 657 | C | 86.3 | Confident | 89.2 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -102.2 | 111.4 | 166.6 | -56.9 | 0 | 0 | 0 | 0 | 107.6 | G659 K660 F693 | C657-G659 PolarHBondContact O-N 3.05Å; C657-G659 VanDerWaalsContact O-N 3.13Å; C657-K660 PolarHBondContact N-O 3.04Å; C657-K660 WeakPolarHBondContact O-CA 3.47Å; C657-K660 WeakPolarHBondContact O-CB 3.47Å; C657-K660 PolarHBondContact O-N 3.21Å; C657-F693 HydrophobicContact CB-CE1 3.63Å; C657-F693 HydrophobicContact CB-CZ 3.92Å |
| 658 | D | 83.2 | Confident | 89.8 | Confident | 122 Ų | 122 | 67.9 Ų | 67.9 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 38.8 | -177.1 | -57.8 | -24.1 | 0 | 0 | 0 | 114.3 | M623 K660 | M623-D658 VanDerWaalsContact CE-OD2 3.23Å; M623-D658 WeakPolarHBondContact CE-OD2 3.35Å; D658-K660 VanDerWaalsContact C-N 3.26Å; D658-K660 PolarHBondContact O-N 2.86Å |
| 659 | G | 84.1 | Confident | 90.2 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -7.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C657 T697 F698 | C657-G659 PolarHBondContact O-N 3.05Å; C657-G659 VanDerWaalsContact O-N 3.13Å; G659-T697 WeakPolarHBondContact O-CA 3.26Å; G659-F698 PolarHBondContact O-N 2.89Å |
| 660 | K | 91.2 | Very high | 90.2 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 150.9 | 171.9 | -61.2 | -168.4 | -180 | -173.6 | 0 | 111.8 | L656 C657 D658 D689 F693 | L656-K660 CarbonylContact C-O 3.47Å; L656-K660 VanDerWaalsContact CA-O 3.3Å; L656-K660 WeakPolarHBondContact CA-O 3.34Å; C657-K660 PolarHBondContact N-O 3.04Å; C657-K660 WeakPolarHBondContact O-CA 3.47Å; C657-K660 WeakPolarHBondContact O-CB 3.47Å; C657-K660 PolarHBondContact O-N 3.21Å; D658-K660 VanDerWaalsContact C-N 3.26Å; D658-K660 PolarHBondContact O-N 2.86Å; K660-D689 IonicContact NZ-OD2 3.56Å; K660-D689 PolarHBondContact NZ-OD2 2.93Å; K660-F693 HydrophobicContact CB-CB 4.03Å; K660-F693 HydrophobicContact CB-CD1 3.59Å; K660-F693 HydrophobicContact CB-CE1 4.34Å; K660-F693 HydrophobicContact CB-CG 3.96Å; K660-F693 HydrophobicContact CD-CB 3.64Å; K660-F693 HydrophobicContact CD-CD1 4.22Å; K660-F693 HydrophobicContact CD-CD2 4.19Å; K660-F693 HydrophobicContact CD-CG 3.75Å; K660-F693 HydrophobicContact CG-CB 4.47Å |
| 661 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.7 | 174.8 | -173.6 | 60.6 | 0 | 0 | 0 | 110.3 | V634 V654 L656 L663 I666 F693 V694 F698 L704 | V634-L661 HydrophobicContact CG2-CD1 3.89Å; V634-L661 HydrophobicContact CG2-CD2 4.13Å; V654-L661 HydrophobicContact CB-CD1 4.17Å; V654-L661 HydrophobicContact CG1-CD1 3.68Å; L656-L661 HydrophobicContact CD2-CB 3.99Å; L656-L661 HydrophobicContact CD2-CD1 4.11Å; L661-L663 PolarHBondContact O-N 2.99Å; L661-I666 HydrophobicContact CD2-CD1 3.58Å; L661-I666 HydrophobicContact CD2-CG1 4.26Å; L661-I666 HydrophobicContact CG-CD1 3.95Å; L661-I666 HydrophobicContact CG-CG1 4.29Å; L661-F693 WeakPolarHBondContact O-CA 3.48Å; L661-V694 PolarHBondContact O-N 2.82Å; L661-F698 HydrophobicContact CB-CD2 3.74Å; L661-F698 HydrophobicContact CB-CE2 3.53Å; L661-F698 HydrophobicContact CB-CZ 4.33Å; L661-F698 HydrophobicContact CD2-CE2 4.23Å; L661-F698 HydrophobicContact CD2-CZ 4.25Å; L661-L704 HydrophobicContact CD2-CD2 3.8Å |
| 662 | C | 93.6 | Very high | 89.9 | Confident | 39 Ų | 39 | 61 Ų | 61 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.5 | 179 | 177 | 0 | 0 | 0 | 0 | 110.4 | R664 A665 F693 | C662-R664 PolarHBondContact O-N 3.33Å; C662-A665 HydrophobicContact CB-CB 3.97Å; C662-A665 PolarHBondContact O-N 2.9Å; C662-F693 HydrophobicContact CB-CD1 4.11Å; C662-F693 HydrophobicContact CB-CE1 4.01Å |
| 663 | L | 92.6 | Very high | 89.7 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -40.6 | -175.4 | -179.6 | 56.4 | 0 | 0 | 0 | 111.6 | L661 A665 I666 Q667 V675 L686 V687 A688 G692 V694 | L661-L663 PolarHBondContact O-N 2.99Å; L663-A665 VanDerWaalsContact C-N 3.29Å; L663-A665 PolarHBondContact O-N 3.11Å; L663-I666 HydrophobicContact CD1-CD1 4.35Å; L663-I666 PolarHBondContact O-N 2.97Å; L663-I666 VanDerWaalsContact O-N 3.1Å; L663-Q667 HydrophobicContact CD1-CG 4.39Å; L663-Q667 HydrophobicContact CG-CG 4.35Å; L663-Q667 WeakPolarHBondContact O-CG 3.44Å; L663-Q667 PolarHBondContact O-N 3Å; L663-V675 HydrophobicContact CD1-CB 4.08Å; L663-V675 HydrophobicContact CD1-CG2 3.96Å; L663-L686 HydrophobicContact CD1-CB 3.76Å; L663-L686 HydrophobicContact CD1-CD1 4.27Å; L663-L686 HydrophobicContact CD2-CB 4.42Å; L663-V687 VanDerWaalsContact CD2-C 3.49Å; L663-A688 HydrophobicContact CD2-CB 4.17Å; L663-G692 PolarHBondContact N-O 2.84Å; L663-G692 VanDerWaalsContact N-O 3.12Å; L663-V694 HydrophobicContact CB-CG2 3.98Å; L663-V694 HydrophobicContact CD1-CG2 4.19Å |
| 664 | R | 91.6 | Very high | 89.6 | Confident | 169 Ų | 169 | 57 Ų | 57 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.2 | -40 | 177 | -68.9 | -173.9 | -175.1 | 158.3 | 5.5 | 112 | C662 I666 Q667 D668 | C662-R664 PolarHBondContact O-N 3.33Å; R664-I666 VanDerWaalsContact C-N 3.26Å; R664-I666 PolarHBondContact O-N 3.38Å; R664-Q667 WeakPolarHBondContact O-CB 3.4Å; R664-Q667 PolarHBondContact O-N 2.93Å; R664-D668 WeakPolarHBondContact O-CB 3.37Å; R664-D668 VanDerWaalsContact O-CG 3.27Å; R664-D668 PolarHBondContact O-N 2.81Å |
| 665 | A | 91.5 | Very high | 89.7 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.6 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C662 L663 L669 | C662-A665 HydrophobicContact CB-CB 3.97Å; C662-A665 PolarHBondContact O-N 2.9Å; L663-A665 VanDerWaalsContact C-N 3.29Å; L663-A665 PolarHBondContact O-N 3.11Å; A665-L669 WeakPolarHBondContact O-CB 3.42Å; A665-L669 PolarHBondContact O-N 2.94Å; A665-L669 VanDerWaalsContact O-N 3.11Å |
| 666 | I | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.8 | -43.8 | 173.5 | -45 | 172.7 | 0 | 0 | 0 | 110.9 | V636 L661 L663 R664 Y670 V675 L686 V706 | V636-I666 HydrophobicContact CG1-CG2 4.42Å; L661-I666 HydrophobicContact CD2-CD1 3.58Å; L661-I666 HydrophobicContact CD2-CG1 4.26Å; L661-I666 HydrophobicContact CG-CD1 3.95Å; L661-I666 HydrophobicContact CG-CG1 4.29Å; L663-I666 HydrophobicContact CD1-CD1 4.35Å; L663-I666 PolarHBondContact O-N 2.97Å; L663-I666 VanDerWaalsContact O-N 3.1Å; R664-I666 VanDerWaalsContact C-N 3.26Å; R664-I666 PolarHBondContact O-N 3.38Å; I666-Y670 HydrophobicContact CG2-CD2 3.95Å; I666-Y670 HydrophobicContact CG2-CE2 4.39Å; I666-Y670 PolarHBondContact O-N 2.86Å; I666-V675 HydrophobicContact CG2-CG1 4.15Å; I666-V675 HydrophobicContact CG2-CG2 4.36Å; I666-L686 HydrophobicContact CD1-CD1 4.23Å; I666-V706 HydrophobicContact CG2-CG2 4.27Å |
| 667 | Q | 92.2 | Very high | 90.1 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | -179 | -68.8 | 176.8 | -48.8 | 0 | 0 | 111.7 | L663 R664 N671 L672 V675 | L663-Q667 HydrophobicContact CD1-CG 4.39Å; L663-Q667 HydrophobicContact CG-CG 4.35Å; L663-Q667 WeakPolarHBondContact O-CG 3.44Å; L663-Q667 PolarHBondContact O-N 3Å; R664-Q667 WeakPolarHBondContact O-CB 3.4Å; R664-Q667 PolarHBondContact O-N 2.93Å; Q667-N671 CarbonylContact O-C 3.49Å; Q667-N671 WeakPolarHBondContact O-CA 3.13Å; Q667-N671 PolarHBondContact O-N 2.96Å; Q667-L672 WeakPolarHBondContact CB-O 3.29Å; Q667-L672 VanDerWaalsContact CG-O 3.32Å; Q667-L672 WeakPolarHBondContact CG-O 3.36Å; Q667-L672 PolarHBondContact O-N 3.22Å; Q667-V675 HydrophobicContact CG-CG2 3.64Å |
| 668 | D | 90.3 | Very high | 90.4 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 68% | 0.684 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -72.4 | -43.7 | -179.7 | -61.3 | -32.2 | 0 | 0 | 0 | 111.3 | R664 Y670 N671 | R664-D668 WeakPolarHBondContact O-CB 3.37Å; R664-D668 VanDerWaalsContact O-CG 3.27Å; R664-D668 PolarHBondContact O-N 2.81Å; D668-Y670 VanDerWaalsContact C-N 3.3Å; D668-Y670 PolarHBondContact O-N 3.44Å; D668-N671 PolarHBondContact O-N 3.38Å |
| 669 | L | 90.5 | Very high | 90.7 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -34.6 | -178.1 | -177.6 | 63 | 0 | 0 | 0 | 113.5 | R652 V654 A665 | R652-L669 HydrophobicContact CB-CD2 4.26Å; V654-L669 HydrophobicContact CG2-CD2 3.73Å; A665-L669 WeakPolarHBondContact O-CB 3.42Å; A665-L669 PolarHBondContact O-N 2.94Å; A665-L669 VanDerWaalsContact O-N 3.11Å |
| 670 | Y | 87.1 | Confident | 90.8 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -113.5 | 2.4 | -177 | -66 | -69.3 | 0 | 0 | 0 | 114.1 | V636 C638 E650 R652 I666 D668 | V636-Y670 HydrophobicContact CB-CE2 4.16Å; V636-Y670 HydrophobicContact CG1-CE2 3.66Å; V636-Y670 PolarHBondContact O-OH 2.83Å; C638-Y670 HydrophobicContact CB-CD1 3.25Å; C638-Y670 HydrophobicContact CB-CD2 3.96Å; C638-Y670 HydrophobicContact CB-CE1 3.32Å; C638-Y670 HydrophobicContact CB-CE2 4.04Å; C638-Y670 HydrophobicContact CB-CG 3.55Å; E650-Y670 HydrophobicContact CB-CD1 4.5Å; E650-Y670 HydrophobicContact CB-CE1 3.97Å; E650-Y670 HydrophobicContact CG-CE1 3.98Å; E650-Y670 VanDerWaalsContact O-CE1 3.22Å; E650-Y670 WeakPolarHBondContact O-CE1 3.45Å; E650-Y670 PolarHBondContact O-OH 2.91Å; R652-Y670 HydrophobicContact CG-CE1 4.41Å; R652-Y670 PolarHBondContact N-OH 3.3Å; I666-Y670 HydrophobicContact CG2-CD2 3.95Å; I666-Y670 HydrophobicContact CG2-CE2 4.39Å; I666-Y670 PolarHBondContact O-N 2.86Å; D668-Y670 VanDerWaalsContact C-N 3.3Å; D668-Y670 PolarHBondContact O-N 3.44Å |
| 671 | N | 87.4 | Confident | 90.7 | Very high | 138 Ų | 138 | 59.3 Ų | 59.3 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 50.9 | -174.2 | -164.3 | 1 | 0 | 0 | 0 | 112.9 | Q667 D668 | Q667-N671 CarbonylContact O-C 3.49Å; Q667-N671 WeakPolarHBondContact O-CA 3.13Å; Q667-N671 PolarHBondContact O-N 2.96Å; D668-N671 PolarHBondContact O-N 3.38Å |
| 672 | L | 87.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | trans | -106.1 | 113.3 | -177.2 | -61.4 | 179 | 0 | 0 | 0 | 111.2 | Q667 S674 V675 V706 N708 | Q667-L672 WeakPolarHBondContact CB-O 3.29Å; Q667-L672 VanDerWaalsContact CG-O 3.32Å; Q667-L672 WeakPolarHBondContact CG-O 3.36Å; Q667-L672 PolarHBondContact O-N 3.22Å; L672-S674 VanDerWaalsContact C-N 3.28Å; L672-S674 PolarHBondContact O-N 2.83Å; L672-V675 HydrophobicContact CB-CG2 3.98Å; L672-V675 HydrophobicContact CD1-CG1 4.41Å; L672-V675 HydrophobicContact CD1-CG2 4.12Å; L672-V706 HydrophobicContact CD1-CG2 4.49Å; L672-N708 HydrophobicContact CD2-CB 3.76Å | ||
| 673 | T | 86.1 | Confident | 90.4 | Very high | 87 Ų | 87 | 65.8 Ų | 65.8 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -82.7 | -2.1 | 176.8 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | K710 | T673-K710 WeakPolarHBondContact OG1-CD 3.35Å; T673-K710 WeakPolarHBondContact OG1-CE 3.47Å; T673-K710 PolarHBondContact OG1-NZ 2.75Å |
| 674 | S | 90 | Very high | 90.5 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -156.8 | 132.7 | 165 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | L672 N708 G709 | L672-S674 VanDerWaalsContact C-N 3.28Å; L672-S674 PolarHBondContact O-N 2.83Å; S674-N708 WeakPolarHBondContact O-CA 3.34Å; S674-G709 PolarHBondContact O-N 2.8Å |
| 675 | V | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.7 | -176.8 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | L663 I666 Q667 L672 L686 V706 | L663-V675 HydrophobicContact CD1-CB 4.08Å; L663-V675 HydrophobicContact CD1-CG2 3.96Å; I666-V675 HydrophobicContact CG2-CG1 4.15Å; I666-V675 HydrophobicContact CG2-CG2 4.36Å; Q667-V675 HydrophobicContact CG-CG2 3.64Å; L672-V675 HydrophobicContact CB-CG2 3.98Å; L672-V675 HydrophobicContact CD1-CG1 4.41Å; L672-V675 HydrophobicContact CD1-CG2 4.12Å; V675-L686 HydrophobicContact CB-CB 4.41Å; V675-L686 HydrophobicContact CG1-CD1 3.99Å; V675-L686 HydrophobicContact CG1-CG 4.45Å; V675-L686 PolarHBondContact O-N 2.83Å; V675-V706 HydrophobicContact CG1-CB 3.86Å; V675-V706 HydrophobicContact CG1-CG1 3.99Å |
| 676 | E | 94.3 | Very high | 90.6 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 141.3 | 163 | -81.8 | 176.9 | -165.1 | 0 | 0 | 109.3 | W683 I684 V685 V706 R707 G709 | E676-W683 HydrophobicContact CB-CB 4.33Å; E676-W683 HydrophobicContact CB-CE3 4.02Å; E676-I684 CarbonylContact C-O 3.57Å; E676-I684 VanDerWaalsContact CA-O 3.32Å; E676-I684 WeakPolarHBondContact CA-O 3.32Å; E676-V685 HydrophobicContact CG-CG2 3.93Å; E676-V706 CarbonylContact O-C 3.41Å; E676-V706 WeakPolarHBondContact O-CA 3.37Å; E676-V706 WeakPolarHBondContact O-CB 3.46Å; E676-R707 HydrophobicContact CB-CG 3.89Å; E676-R707 PolarHBondContact N-O 2.83Å; E676-R707 PolarHBondContact O-N 3.12Å; E676-R707 IonicContact OE2-CZ 2.81Å; E676-R707 IonicContact OE2-NE 3.38Å; E676-R707 PolarHBondContact OE2-NE 3.25Å; E676-R707 IonicContact OE2-NH2 3.47Å; E676-R707 PolarHBondContact OE2-NH2 3.08Å; E676-G709 WeakPolarHBondContact OE1-CA 3.38Å |
| 677 | M | 94.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.8 | 179.1 | -174.9 | -164.9 | 101.4 | 0 | 0 | 109.6 | Y679 W683 I684 L686 L696 F698 L704 V706 | M677-Y679 HydrophobicContact CE-CD2 4.4Å; M677-W683 CarbonylContact O-C 3.57Å; M677-W683 WeakPolarHBondContact O-CA 3.4Å; M677-I684 HydrophobicContact CB-CG1 4.16Å; M677-I684 HydrophobicContact CE-CD1 3.78Å; M677-I684 HydrophobicContact CE-CG1 4.21Å; M677-I684 PolarHBondContact N-O 2.8Å; M677-I684 PolarHBondContact O-N 2.89Å; M677-L686 HydrophobicContact CB-CD1 3.97Å; M677-L686 HydrophobicContact CB-CD2 3.74Å; M677-L686 HydrophobicContact CB-CG 3.8Å; M677-L686 HydrophobicContact CG-CD1 4.46Å; M677-L686 HydrophobicContact CG-CD2 4.37Å; M677-L686 HydrophobicContact SD-CD1 4.35Å; M677-L686 HydrophobicContact SD-CD2 3.77Å; M677-L696 HydrophobicContact CE-CD1 4.33Å; M677-L696 HydrophobicContact SD-CD1 4.3Å; M677-F698 HydrophobicContact SD-CE1 4.38Å; M677-L704 HydrophobicContact CE-CD1 4.26Å; M677-L704 HydrophobicContact CG-CD1 3.67Å; M677-L704 HydrophobicContact CG-CD2 4.33Å; M677-L704 HydrophobicContact CG-CG 3.99Å; M677-L704 HydrophobicContact SD-CD1 3.59Å; M677-L704 VanDerWaalsContact SD-CD1 3.59Å; M677-L704 HydrophobicContact SD-CD2 4.36Å; M677-L704 HydrophobicContact SD-CG 4.33Å; M677-V706 HydrophobicContact CB-CG1 4.45Å; M677-V706 HydrophobicContact CG-CG1 4.43Å |
| 678 | M | 92.6 | Very high | 90.7 | Very high | 85 Ų | 85 | 67 Ų | 67 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.2 | 177 | -165.3 | 171.7 | 71.4 | 0 | 0 | 110.6 | W683 T705 | M678-W683 HydrophobicContact CB-CD2 4.28Å; M678-W683 HydrophobicContact CB-CE3 4.11Å; M678-W683 HydrophobicContact CB-CH2 3.99Å; M678-W683 HydrophobicContact CB-CZ2 4.12Å; M678-W683 HydrophobicContact CB-CZ3 3.96Å; M678-W683 HydrophobicContact CG-CZ2 4.19Å; M678-W683 HydrophobicContact SD-CZ2 4.02Å; M678-T705 PolarHBondContact N-O 3.01Å |
| 679 | Y | 89.6 | Confident | 90.7 | Very high | 158 Ų | 158 | 63 Ų | 63 | 62% | 0.62 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 98.9 | 176.4 | -177.3 | -99.8 | 0 | 0 | 0 | 109.4 | M677 L682 | M677-Y679 HydrophobicContact CE-CD2 4.4Å; Y679-L682 PolarHBondContact N-O 2.78Å; Y679-L682 PolarHBondContact O-N 2.78Å |
| 680 | G | 87.4 | Confident | 90.4 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | -129.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L682 | G680-L682 VanDerWaalsContact C-N 3.27Å; G680-L682 PolarHBondContact O-N 2.87Å |
| 681 | P | 87.5 | Confident | 90.2 | Very high | 129 Ų | 129 | 70.6 Ų | 70.6 | 84% | 0.838 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -3.9 | 176.3 | 35 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 682 | L | 89.4 | Confident | 90.2 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 58% | 0.581 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 155.1 | -174.7 | -61.1 | 179.2 | 0 | 0 | 0 | 111.9 | Y679 G680 | Y679-L682 PolarHBondContact N-O 2.78Å; Y679-L682 PolarHBondContact O-N 2.78Å; G680-L682 VanDerWaalsContact C-N 3.27Å; G680-L682 PolarHBondContact O-N 2.87Å |
| 683 | W | 91.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 66 Ų | 66 | 24% | 0.242 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.8 | 167.4 | -72 | 84.4 | 0 | 0 | 0 | 108.1 | E676 M677 M678 T705 R707 | E676-W683 HydrophobicContact CB-CB 4.33Å; E676-W683 HydrophobicContact CB-CE3 4.02Å; M677-W683 CarbonylContact O-C 3.57Å; M677-W683 WeakPolarHBondContact O-CA 3.4Å; M678-W683 HydrophobicContact CB-CD2 4.28Å; M678-W683 HydrophobicContact CB-CE3 4.11Å; M678-W683 HydrophobicContact CB-CH2 3.99Å; M678-W683 HydrophobicContact CB-CZ2 4.12Å; M678-W683 HydrophobicContact CB-CZ3 3.96Å; M678-W683 HydrophobicContact CG-CZ2 4.19Å; M678-W683 HydrophobicContact SD-CZ2 4.02Å; W683-T705 HydrophobicContact CH2-CG2 3.88Å; W683-R707 HydrophobicContact CD2-CG 4.35Å; W683-R707 VanDerWaalsContact CD2-CZ 3.44Å; W683-R707 VanDerWaalsContact CE2-NH1 3.34Å; W683-R707 HydrophobicContact CE3-CG 3.67Å; W683-R707 HydrophobicContact CH2-CB 4.22Å; W683-R707 HydrophobicContact CH2-CG 4.09Å; W683-R707 HydrophobicContact CZ3-CB 3.9Å; W683-R707 HydrophobicContact CZ3-CG 3.53Å |
| 684 | I | 93 | Very high | 90.9 | Very high | 60 Ų | 60 | 62 Ų | 62 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136 | -178.3 | 66.4 | 174.1 | 0 | 0 | 0 | 109.8 | E676 M677 L686 | E676-I684 CarbonylContact C-O 3.57Å; E676-I684 VanDerWaalsContact CA-O 3.32Å; E676-I684 WeakPolarHBondContact CA-O 3.32Å; M677-I684 HydrophobicContact CB-CG1 4.16Å; M677-I684 HydrophobicContact CE-CD1 3.78Å; M677-I684 HydrophobicContact CE-CG1 4.21Å; M677-I684 PolarHBondContact N-O 2.8Å; M677-I684 PolarHBondContact O-N 2.89Å; I684-L686 HydrophobicContact CG1-CD2 4.48Å; I684-L686 PolarHBondContact O-N 3.39Å |
| 685 | V | 93.3 | Very high | 90.9 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.1 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 109 | E676 | E676-V685 HydrophobicContact CG-CG2 3.93Å |
| 686 | L | 93.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 131.7 | 174.5 | -60.5 | -172.1 | 0 | 0 | 0 | 110.8 | L663 I666 V675 M677 I684 V694 | L663-L686 HydrophobicContact CD1-CB 3.76Å; L663-L686 HydrophobicContact CD1-CD1 4.27Å; L663-L686 HydrophobicContact CD2-CB 4.42Å; I666-L686 HydrophobicContact CD1-CD1 4.23Å; V675-L686 HydrophobicContact CB-CB 4.41Å; V675-L686 HydrophobicContact CG1-CD1 3.99Å; V675-L686 HydrophobicContact CG1-CG 4.45Å; V675-L686 PolarHBondContact O-N 2.83Å; M677-L686 HydrophobicContact CB-CD1 3.97Å; M677-L686 HydrophobicContact CB-CD2 3.74Å; M677-L686 HydrophobicContact CB-CG 3.8Å; M677-L686 HydrophobicContact CG-CD1 4.46Å; M677-L686 HydrophobicContact CG-CD2 4.37Å; M677-L686 HydrophobicContact SD-CD1 4.35Å; M677-L686 HydrophobicContact SD-CD2 3.77Å; I684-L686 HydrophobicContact CG1-CD2 4.48Å; I684-L686 PolarHBondContact O-N 3.39Å; L686-V694 HydrophobicContact CD1-CG1 4.48Å; L686-V694 HydrophobicContact CD1-CG2 4.05Å; L686-V694 HydrophobicContact CD2-CG1 3.96Å |
| 687 | V | 92.4 | Very high | 90.5 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | trans | -115.6 | 162.7 | 173.4 | -62.7 | 0 | 0 | 0 | 0 | 109.6 | L663 P695 | L663-V687 VanDerWaalsContact CD2-C 3.49Å; V687-P695 HydrophobicContact CG2-CG 4.18Å; V687-P695 WeakPolarHBondContact O-CD 3.13Å | ||
| 688 | A | 92.2 | Very high | 90.3 | Very high | 53 Ų | 53 | 73 Ų | 73 | 44% | 0.438 | 43% | 0.431 | S | S | . | . | trans | -99.5 | 146.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L663 F693 | L663-A688 HydrophobicContact CD2-CB 4.17Å; A688-F693 CarbonylContact C-O 3.43Å; A688-F693 VanDerWaalsContact CA-O 3.29Å; A688-F693 WeakPolarHBondContact CA-O 3.34Å | ||
| 689 | D | 90.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 76.3 Ų | 76.3 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | trans | -74.6 | -178.8 | 160.3 | 68.6 | 13.3 | 0 | 0 | 0 | 111.4 | K660 D691 G692 F693 | K660-D689 IonicContact NZ-OD2 3.56Å; K660-D689 PolarHBondContact NZ-OD2 2.93Å; D689-D691 PolarHBondContact O-N 2.94Å; D689-D691 VanDerWaalsContact O-N 3.17Å; D689-D691 PolarHBondContact OD1-N 2.97Å; D689-G692 PolarHBondContact O-N 3.42Å; D689-G692 VanDerWaalsContact O-N 3.12Å; D689-G692 PolarHBondContact OD1-N 3.4Å; D689-F693 PolarHBondContact N-O 3.49Å; D689-F693 PolarHBondContact OD1-N 2.87Å | ||
| 690 | A | 85.2 | Confident | 90 | Very high | 108 Ų | 108 | 71.9 Ų | 71.9 | 89% | 0.893 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 691 | D | 82.4 | Confident | 89.9 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.7 | -178.4 | -59.9 | -48.7 | 0 | 0 | 0 | 112.6 | D689 F693 | D689-D691 PolarHBondContact O-N 2.94Å; D689-D691 VanDerWaalsContact O-N 3.17Å; D689-D691 PolarHBondContact OD1-N 2.97Å; D691-F693 HydrophobicContact CB-CD2 3.78Å; D691-F693 HydrophobicContact CB-CE2 4.09Å |
| 692 | G | 87.9 | Confident | 90 | Very high | 13 Ų | 13 | 70.8 Ų | 70.8 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 97 | 6.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | L663 D689 | L663-G692 PolarHBondContact N-O 2.84Å; L663-G692 VanDerWaalsContact N-O 3.12Å; D689-G692 PolarHBondContact O-N 3.42Å; D689-G692 VanDerWaalsContact O-N 3.12Å; D689-G692 PolarHBondContact OD1-N 3.4Å |
| 693 | F | 93.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 18% | 0.18 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 153.3 | -179.1 | -65.7 | -88.6 | 0 | 0 | 0 | 112.2 | C657 K660 L661 C662 A688 D689 D691 | C657-F693 HydrophobicContact CB-CE1 3.63Å; C657-F693 HydrophobicContact CB-CZ 3.92Å; K660-F693 HydrophobicContact CB-CB 4.03Å; K660-F693 HydrophobicContact CB-CD1 3.59Å; K660-F693 HydrophobicContact CB-CE1 4.34Å; K660-F693 HydrophobicContact CB-CG 3.96Å; K660-F693 HydrophobicContact CD-CB 3.64Å; K660-F693 HydrophobicContact CD-CD1 4.22Å; K660-F693 HydrophobicContact CD-CD2 4.19Å; K660-F693 HydrophobicContact CD-CG 3.75Å; K660-F693 HydrophobicContact CG-CB 4.47Å; L661-F693 WeakPolarHBondContact O-CA 3.48Å; C662-F693 HydrophobicContact CB-CD1 4.11Å; C662-F693 HydrophobicContact CB-CE1 4.01Å; A688-F693 CarbonylContact C-O 3.43Å; A688-F693 VanDerWaalsContact CA-O 3.29Å; A688-F693 WeakPolarHBondContact CA-O 3.34Å; D689-F693 PolarHBondContact N-O 3.49Å; D689-F693 PolarHBondContact OD1-N 2.87Å; D691-F693 HydrophobicContact CB-CD2 3.78Å; D691-F693 HydrophobicContact CB-CE2 4.09Å |
| 694 | V | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 132.4 | 166.3 | -177 | 0 | 0 | 0 | 0 | 108.2 | L661 L663 L686 L696 F698 | L661-V694 PolarHBondContact O-N 2.82Å; L663-V694 HydrophobicContact CB-CG2 3.98Å; L663-V694 HydrophobicContact CD1-CG2 4.19Å; L686-V694 HydrophobicContact CD1-CG1 4.48Å; L686-V694 HydrophobicContact CD1-CG2 4.05Å; L686-V694 HydrophobicContact CD2-CG1 3.96Å; V694-L696 HydrophobicContact CG1-CB 4Å; V694-L696 HydrophobicContact CG1-CD1 3.96Å; V694-L696 HydrophobicContact CG1-CG 3.98Å; V694-L696 PolarHBondContact O-N 2.8Å; V694-F698 HydrophobicContact CB-CE2 4.39Å; V694-F698 HydrophobicContact CG1-CE2 4.43Å; V694-F698 HydrophobicContact CG1-CZ 4.29Å |
| 695 | P | 90.4 | Very high | 90.1 | Very high | 80 Ų | 80 | 68 Ų | 68 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 48.2 | 179.4 | 33.1 | -37.4 | 0 | 0 | 0 | 112.3 | V687 | V687-P695 HydrophobicContact CG2-CG 4.18Å; V687-P695 WeakPolarHBondContact O-CD 3.13Å |
| 696 | L | 89.3 | Confident | 90.2 | Very high | 75 Ų | 75 | 64 Ų | 64 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.2 | 178.3 | -64.6 | 174.8 | 0 | 0 | 0 | 108.8 | M677 V694 F698 | M677-L696 HydrophobicContact CE-CD1 4.33Å; M677-L696 HydrophobicContact SD-CD1 4.3Å; V694-L696 HydrophobicContact CG1-CB 4Å; V694-L696 HydrophobicContact CG1-CD1 3.96Å; V694-L696 HydrophobicContact CG1-CG 3.98Å; V694-L696 PolarHBondContact O-N 2.8Å; L696-F698 HydrophobicContact CB-CE2 3.87Å; L696-F698 HydrophobicContact CB-CZ 3.85Å; L696-F698 HydrophobicContact CD1-CZ 4.24Å; L696-F698 WeakPolarHBondContact O-CE2 3.27Å |
| 697 | T | 89.2 | Confident | 90.1 | Very high | 120 Ų | 120 | 66.4 Ų | 66.4 | 74% | 0.736 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.1 | 171.6 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | G659 | G659-T697 WeakPolarHBondContact O-CA 3.26Å |
| 698 | F | 90.3 | Very high | 89.9 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | trans | -112.5 | 150.7 | -180 | -54.7 | -93.5 | 0 | 0 | 0 | 109.9 | V634 L656 G659 L661 M677 V694 L696 L704 | V634-F698 HydrophobicContact CG1-CB 3.77Å; V634-F698 HydrophobicContact CG1-CG 4.41Å; L656-F698 HydrophobicContact CD1-CB 4.1Å; L656-F698 HydrophobicContact CD2-CB 4Å; L656-F698 HydrophobicContact CD2-CD2 4.21Å; L656-F698 HydrophobicContact CD2-CG 4.4Å; G659-F698 PolarHBondContact O-N 2.89Å; L661-F698 HydrophobicContact CB-CD2 3.74Å; L661-F698 HydrophobicContact CB-CE2 3.53Å; L661-F698 HydrophobicContact CB-CZ 4.33Å; L661-F698 HydrophobicContact CD2-CE2 4.23Å; L661-F698 HydrophobicContact CD2-CZ 4.25Å; M677-F698 HydrophobicContact SD-CE1 4.38Å; V694-F698 HydrophobicContact CB-CE2 4.39Å; V694-F698 HydrophobicContact CG1-CE2 4.43Å; V694-F698 HydrophobicContact CG1-CZ 4.29Å; L696-F698 HydrophobicContact CB-CE2 3.87Å; L696-F698 HydrophobicContact CB-CZ 3.85Å; L696-F698 HydrophobicContact CD1-CZ 4.24Å; L696-F698 WeakPolarHBondContact O-CE2 3.27Å; F698-L704 HydrophobicContact CD1-CD1 4.44Å; F698-L704 HydrophobicContact CE1-CD1 3.88Å; F698-L704 HydrophobicContact CE1-CD2 4.09Å | ||
| 699 | K | 88.1 | Confident | 89.4 | Confident | 153 Ų | 153 | 63.7 Ų | 63.7 | 67% | 0.665 | 35% | 0.353 | S | S | * | . | trans | -89.2 | 149.6 | 174 | -55.8 | 173.3 | -176.4 | 172 | 0 | 109.8 | K701 D702 | K699-K701 PolarHBondContact O-N 2.83Å; K699-D702 WeakPolarHBondContact CA-OD2 3.44Å; K699-D702 WeakPolarHBondContact CB-OD2 3.11Å; K699-D702 PolarHBondContact N-OD2 3.35Å; K699-D702 WeakPolarHBondContact O-CB 3.34Å; K699-D702 PolarHBondContact O-N 2.84Å | ||
| 700 | P | 87.9 | Confident | 88.7 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 135.2 | 169.9 | -26.6 | 36 | 0 | 0 | 0 | 111.6 | P632 Y633 D702 | P632-P700 HydrophobicContact CB-CG 4.05Å; Y633-P700 CarbonylContact O-C 3.59Å; P700-D702 VanDerWaalsContact C-N 3.29Å; P700-D702 PolarHBondContact O-N 2.9Å |
| 701 | K | 86.4 | Confident | 87.5 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 5.4 | -179.1 | -57 | 135.2 | -171 | 168.7 | 0 | 115.9 | D630 Y633 N635 K699 | D630-K701 IonicContact OD1-NZ 3.92Å; D630-K701 PolarHBondContact OD1-NZ 2.85Å; D630-K701 IonicContact OD2-NZ 3.85Å; Y633-K701 HydrophobicContact CE1-CG 4.09Å; Y633-K701 HydrophobicContact CE2-CG 4.47Å; Y633-K701 PolarHBondContact O-N 3.41Å; N635-K701 PolarHBondContact ND2-O 2.95Å; K699-K701 PolarHBondContact O-N 2.83Å |
| 702 | D | 89.3 | Confident | 86.1 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 35% | 0.353 | 37% | 0.368 | S | S | . | . | trans | -54.9 | 154 | 167.8 | -77.7 | -15.8 | 0 | 0 | 0 | 111.6 | V634 N635 K699 P700 | V634-D702 HydrophobicContact CG1-CB 4.18Å; N635-D702 PolarHBondContact N-O 3.02Å; K699-D702 WeakPolarHBondContact CA-OD2 3.44Å; K699-D702 WeakPolarHBondContact CB-OD2 3.11Å; K699-D702 PolarHBondContact N-OD2 3.35Å; K699-D702 WeakPolarHBondContact O-CB 3.34Å; K699-D702 PolarHBondContact O-N 2.84Å; P700-D702 VanDerWaalsContact C-N 3.29Å; P700-D702 PolarHBondContact O-N 2.9Å | ||
| 703 | E | 90.7 | Very high | 83.8 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 58% | 0.584 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140 | 175.6 | -51.3 | -155.2 | 161 | 0 | 0 | 111.6 | N635 R651 | N635-E703 HydrophobicContact CB-CB 4.46Å; N635-E703 HydrophobicContact CB-CG 4.17Å; N635-E703 WeakPolarHBondContact O-CA 3.38Å; R651-E703 IonicContact CZ-OE1 2.7Å; R651-E703 IonicContact CZ-OE2 2.83Å; R651-E703 IonicContact NH1-OE1 2.75Å; R651-E703 PolarHBondContact NH1-OE1 3.37Å; R651-E703 IonicContact NH1-OE2 3.15Å; R651-E703 PolarHBondContact NH1-OE2 3.38Å; R651-E703 IonicContact NH2-OE1 3.48Å; R651-E703 PolarHBondContact NH2-OE1 3.25Å |
| 704 | L | 92.6 | Very high | 81.1 | Confident | 15 Ų | 15 | 83.3 Ų | 83.3 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 114.4 | -170.3 | -162.7 | 72 | 0 | 0 | 0 | 111.8 | N635 V636 T637 L661 M677 F698 V706 | N635-L704 PolarHBondContact O-N 3.46Å; V636-L704 CarbonylContact C-O 3.46Å; V636-L704 WeakPolarHBondContact CA-O 3.49Å; V636-L704 HydrophobicContact CG2-CD2 4.48Å; T637-L704 PolarHBondContact N-O 3.47Å; L661-L704 HydrophobicContact CD2-CD2 3.8Å; M677-L704 HydrophobicContact CE-CD1 4.26Å; M677-L704 HydrophobicContact CG-CD1 3.67Å; M677-L704 HydrophobicContact CG-CD2 4.33Å; M677-L704 HydrophobicContact CG-CG 3.99Å; M677-L704 HydrophobicContact SD-CD1 3.59Å; M677-L704 VanDerWaalsContact SD-CD1 3.59Å; M677-L704 HydrophobicContact SD-CD2 4.36Å; M677-L704 HydrophobicContact SD-CG 4.33Å; F698-L704 HydrophobicContact CD1-CD1 4.44Å; F698-L704 HydrophobicContact CE1-CD1 3.88Å; F698-L704 HydrophobicContact CE1-CD2 4.09Å; L704-V706 HydrophobicContact CD2-CG1 4.11Å; L704-V706 HydrophobicContact CG-CG1 4.23Å |
| 705 | T | 93.3 | Very high | 78.3 | Confident | 36 Ų | 36 | 91.4 Ų | 91.4 | 22% | 0.221 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.6 | 173 | -44.1 | 0 | 0 | 0 | 0 | 110.6 | T637 M678 W683 | T637-T705 CarbonylContact O-C 3.6Å; T637-T705 WeakPolarHBondContact O-CA 3.22Å; M678-T705 PolarHBondContact N-O 3.01Å; W683-T705 HydrophobicContact CH2-CG2 3.88Å |
| 706 | V | 94.3 | Very high | 75.6 | Confident | 0 Ų | 0 | 99 Ų | 99 | 0% | 0 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 160.2 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | V636 T637 C638 Q639 I666 L672 V675 E676 M677 L704 | V636-V706 HydrophobicContact CG1-CB 4.48Å; V636-V706 HydrophobicContact CG1-CG1 4.1Å; V636-V706 HydrophobicContact CG1-CG2 3.55Å; T637-V706 PolarHBondContact O-N 2.71Å; C638-V706 CarbonylContact C-O 3.52Å; C638-V706 WeakPolarHBondContact CA-O 3.37Å; C638-V706 HydrophobicContact CB-CG2 3.98Å; Q639-V706 PolarHBondContact N-O 3.42Å; I666-V706 HydrophobicContact CG2-CG2 4.27Å; L672-V706 HydrophobicContact CD1-CG2 4.49Å; V675-V706 HydrophobicContact CG1-CB 3.86Å; V675-V706 HydrophobicContact CG1-CG1 3.99Å; E676-V706 CarbonylContact O-C 3.41Å; E676-V706 WeakPolarHBondContact O-CA 3.37Å; E676-V706 WeakPolarHBondContact O-CB 3.46Å; M677-V706 HydrophobicContact CB-CG1 4.45Å; M677-V706 HydrophobicContact CG-CG1 4.43Å; L704-V706 HydrophobicContact CD2-CG1 4.11Å; L704-V706 HydrophobicContact CG-CG1 4.23Å |
| 707 | R | 91.3 | Very high | 73 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 24% | 0.238 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 174.4 | 173.9 | 74.3 | -177.3 | -174.4 | -163.1 | -4.8 | 112.2 | Q639 E676 W683 G709 | Q639-R707 HydrophobicContact CB-CB 4.3Å; E676-R707 HydrophobicContact CB-CG 3.89Å; E676-R707 PolarHBondContact N-O 2.83Å; E676-R707 PolarHBondContact O-N 3.12Å; E676-R707 IonicContact OE2-CZ 2.81Å; E676-R707 IonicContact OE2-NE 3.38Å; E676-R707 PolarHBondContact OE2-NE 3.25Å; E676-R707 IonicContact OE2-NH2 3.47Å; E676-R707 PolarHBondContact OE2-NH2 3.08Å; W683-R707 HydrophobicContact CD2-CG 4.35Å; W683-R707 VanDerWaalsContact CD2-CZ 3.44Å; W683-R707 VanDerWaalsContact CE2-NH1 3.34Å; W683-R707 HydrophobicContact CE3-CG 3.67Å; W683-R707 HydrophobicContact CH2-CB 4.22Å; W683-R707 HydrophobicContact CH2-CG 4.09Å; W683-R707 HydrophobicContact CZ3-CB 3.9Å; W683-R707 HydrophobicContact CZ3-CG 3.53Å; R707-G709 PolarHBondContact O-N 3.36Å |
| 708 | N | 88.6 | Confident | 70.5 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 117.2 | 172.7 | -171.6 | -2.9 | 0 | 0 | 0 | 111.6 | L672 S674 K710 | L672-N708 HydrophobicContact CD2-CB 3.76Å; S674-N708 WeakPolarHBondContact O-CA 3.34Å; N708-K710 VanDerWaalsContact C-N 3.25Å; N708-K710 PolarHBondContact O-N 2.86Å; N708-K710 PolarHBondContact OD1-N 2.7Å |
| 709 | G | 82.4 | Confident | 67.9 | Low | 18 Ų | 18 | 104.6 Ų | 104.6 | 19% | 0.186 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -72.3 | -11.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | S674 E676 R707 R711 | S674-G709 PolarHBondContact O-N 2.8Å; E676-G709 WeakPolarHBondContact OE1-CA 3.38Å; R707-G709 PolarHBondContact O-N 3.36Å; G709-R711 PolarHBondContact O-N 2.83Å |
| 710 | K | 76.6 | Confident | 65 | Low | 118 Ų | 118 | 103 Ų | 103 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -89.6 | 96.8 | 173.7 | -65.6 | -174.6 | -170.7 | 162.9 | 0 | 110.4 | T673 N708 K712 | T673-K710 WeakPolarHBondContact OG1-CD 3.35Å; T673-K710 WeakPolarHBondContact OG1-CE 3.47Å; T673-K710 PolarHBondContact OG1-NZ 2.75Å; N708-K710 VanDerWaalsContact C-N 3.25Å; N708-K710 PolarHBondContact O-N 2.86Å; N708-K710 PolarHBondContact OD1-N 2.7Å; K710-K712 PolarHBondContact O-N 3.1Å |
| 711 | R | 59 | Low | 62.9 | Low | 223 Ų | 223 | 105 Ų | 105 | 84% | 0.842 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.5 | 165.6 | -63.5 | -172.5 | -177.1 | -159.2 | 1 | 109.4 | G709 S713 | G709-R711 PolarHBondContact O-N 2.83Å; R711-S713 PolarHBondContact O-N 2.97Å |
| 712 | K | 53.4 | Low | 60.4 | Low | 174 Ų | 174 | 108 Ų | 108 | 76% | 0.757 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.6 | 171.7 | -72.1 | 176.8 | 178.6 | 171.4 | 0 | 108.5 | K710 | K710-K712 PolarHBondContact O-N 3.1Š|
| 713 | S | 39.3 | Very low | 57.8 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 79% | 0.79 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 132.3 | 164.1 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | R711 L715 | R711-S713 PolarHBondContact O-N 2.97Å; S713-L715 PolarHBondContact O-N 3.45Å; S713-L715 VanDerWaalsContact O-N 3.08Å |
| 714 | T | 37.3 | Very low | 55 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 69% | 0.693 | 60% | 0.604 | S | S | * | * | trans | -74.2 | 99.4 | 179.6 | 34.6 | 0 | 0 | 0 | 0 | 110.2 | R716 | T714-R716 PolarHBondContact O-N 3.07Å; T714-R716 VanDerWaalsContact O-N 3.1Å | ||
| 715 | L | 34.5 | Very low | 52.3 | Low | 170 Ų | 170 | 115.7 Ų | 115.7 | 89% | 0.89 | 64% | 0.641 | S | S | * | * | trans | -56.9 | 112.8 | 168.6 | -88.1 | 159.7 | 0 | 0 | 0 | 109.4 | S713 T717 | S713-L715 PolarHBondContact O-N 3.45Å; S713-L715 VanDerWaalsContact O-N 3.08Å; L715-T717 PolarHBondContact O-N 3.47Å | ||
| 716 | R | 34.8 | Very low | 49.5 | Very low | 240 Ų | 240 | 120 Ų | 120 | 91% | 0.906 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.7 | 176.1 | -71.4 | -176.4 | 174.1 | -171.2 | -2.6 | 110.3 | T714 | T714-R716 PolarHBondContact O-N 3.07Å; T714-R716 VanDerWaalsContact O-N 3.1Å |
| 717 | T | 32.9 | Very low | 46.4 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 135.9 | 170.1 | -40.8 | 0 | 0 | 0 | 0 | 110.3 | L715 | L715-T717 PolarHBondContact O-N 3.47Š|
| 718 | P | 36.5 | Very low | 43.7 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -77.5 | 126.9 | 175.5 | 30.2 | -33.3 | 0 | 0 | 0 | 111.5 | ||
| 719 | G | 35.6 | Very low | 41.4 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 124.1 | 75.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 720 | S | 27.9 | Very low | 38.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -164.9 | 148.4 | 143.6 | -149.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 721 | P | 44.6 | Very low | 37.1 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -96.5 | 158.6 | -170.8 | 36.7 | -35 | 0 | 0 | 0 | 115.7 | ||||
| 722 | E | 34.3 | Very low | 35.7 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 71 | 142.7 | 152.3 | -81.7 | -173 | -141.2 | 0 | 0 | 123 | ||||
| 723 | N | 32.9 | Very low | 34.7 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 47 | 117.4 | 152.5 | -51.5 | -32 | 0 | 0 | 0 | 118.2 | ||||
| 724 | S | 31.9 | Very low | 34.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | -173.4 | 163.2 | 50.6 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 725 | C | 36.1 | Very low | 35 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -86.5 | 152 | 161.7 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 726 | P | 34.8 | Very low | 34.9 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -127.3 | 153.3 | 119.5 | 36.2 | -31.9 | 0 | 0 | 0 | 112.4 | |||||
| 727 | S | 29.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -113.8 | 157.6 | -178.8 | 49 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 728 | S | 34.3 | Very low | 34.9 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 70.3 | 164.9 | 162.8 | -65.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 729 | P | 40.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | cis | -122.1 | 164 | 6.8 | 40.5 | -27.3 | 0 | 0 | 0 | 116.6 | ||||
| 730 | A | 29.6 | Very low | 34.6 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -114.9 | 150.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 731 | P | 39.1 | Very low | 35 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -78.9 | 149.9 | -164.1 | 30.6 | -36 | 0 | 0 | 0 | 114.4 | ||||
| 732 | S | 29.9 | Very low | 34.6 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -79.1 | 135.3 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 733 | Q | 32.8 | Very low | 34.9 | Very low | 202 Ų | 202 | 125 Ų | 125 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | -136 | 119.2 | 143.3 | -71.7 | -165 | -7.5 | 0 | 0 | 109.8 | ||||
| 734 | S | 33.1 | Very low | 35 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -114 | 168.6 | 161.6 | 62 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 735 | P | 49 | Very low | 35.2 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | -151.3 | 167.3 | 90.7 | 39.4 | -22.1 | 0 | 0 | 0 | 116.1 | |||||
| 736 | T | 32.1 | Very low | 35.1 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 52.8 | 135.5 | 145.8 | 49.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 737 | T | 34.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | -165.9 | -167.7 | -13.4 | 13.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 738 | T | 33.3 | Very low | 35.5 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | cis | -163.2 | 164.4 | 15.7 | -21.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 739 | A | 33.3 | Very low | 35.5 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | 60.8 | 113.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 740 | E | 33.8 | Very low | 35.2 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | 75.2 | 147.1 | 87.5 | -72.4 | 178.7 | 158.4 | 0 | 0 | 114.9 | |||||
| 741 | A | 35.7 | Very low | 35.6 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 66% | 0.661 | 81% | 0.812 | S | S | * | * | cis | -170.6 | 155.6 | -22.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 742 | S | 36.6 | Very low | 35.3 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 62.5 | 156.5 | 174.3 | 71 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 743 | V | 40.2 | Very low | 35.8 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 100% | 1.279 | 81% | 0.808 | S | S | * | * | cis | -117.3 | 0 | 2.7 | 173.7 | 0 | 0 | 0 | 0 | 110 |
Retrieved 743 of 743 residues in 3743.5 ms
(Link to these results)