| 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 | 46.2 | Very low | 78.6 | Confident | 195 Ų | 195 | 63.6 Ų | 63.6 | 96% | 0.961 | 33% | 0.334 | S | S | * | . | 0 | 131.5 | 0 | -69.9 | 178.5 | -179.4 | 0 | 0 | 108.4 | T3 | M1-T3 PolarHBondContact O-N 3.48Š| |||
| 2 | T | 54.9 | Low | 79.8 | Confident | 145 Ų | 145 | 58.9 Ų | 58.9 | 89% | 0.89 | 31% | 0.309 | S | S | * | . | trans | -81.6 | 98 | 175.2 | 39.3 | 0 | 0 | 0 | 0 | 108.8 | K4 | T2-K4 PolarHBondContact O-N 3.22Š| ||
| 3 | T | 64.9 | Low | 80.8 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -58 | 124.1 | 168.4 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | M1 V5 L765 | M1-T3 PolarHBondContact O-N 3.48Å; T3-V5 WeakPolarHBondContact O-CG2 3.4Å; T3-L765 HydrophobicContact CG2-CD2 4.08Å; T3-L765 VanDerWaalsContact OG1-CD2 3.29Å; T3-L765 WeakPolarHBondContact OG1-CD2 3.44Å | ||
| 4 | K | 80.5 | Confident | 81.5 | Confident | 153 Ų | 153 | 54.8 Ų | 54.8 | 67% | 0.665 | 29% | 0.289 | S | S | * | . | trans | -61.6 | 140.3 | 173.5 | -72.4 | -173.6 | -175.7 | 173.7 | 0 | 108.8 | T2 G834 T835 | T2-K4 PolarHBondContact O-N 3.22Å; K4-G834 PolarHBondContact O-N 2.87Å; K4-T835 HydrophobicContact CD-CG2 4.26Å | ||
| 5 | V | 85.9 | Confident | 82.3 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.9 | 179.5 | -167.6 | 0 | 0 | 0 | 0 | 108.9 | T3 L768 V831 Y832 Y833 | T3-V5 WeakPolarHBondContact O-CG2 3.4Å; V5-L768 HydrophobicContact CG1-CD1 3.83Å; V5-L768 HydrophobicContact CG1-CD2 3.95Å; V5-L768 HydrophobicContact CG1-CG 4.31Å; V5-V831 HydrophobicContact CG1-CG1 3.68Å; V5-Y832 WeakPolarHBondContact CA-O 3.22Å; V5-Y833 HydrophobicContact CB-CD1 4.26Å; V5-Y833 HydrophobicContact CB-CE1 4.29Å; V5-Y833 HydrophobicContact CG1-CD1 3.96Å; V5-Y833 HydrophobicContact CG1-CE1 3.76Å; V5-Y833 HydrophobicContact CG1-CG 4.48Å; V5-Y833 HydrophobicContact CG2-CD1 3.41Å; V5-Y833 VanDerWaalsContact CG2-CD1 3.41Å; V5-Y833 HydrophobicContact CG2-CE1 3.49Å; V5-Y833 VanDerWaalsContact CG2-CE1 3.49Å; V5-Y833 HydrophobicContact CG2-CG 4.46Å |
| 6 | S | 86.5 | Confident | 83.1 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 141.1 | 174.8 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | Y832 R836 | S6-Y832 PolarHBondContact N-O 2.77Å; S6-Y832 PolarHBondContact O-N 3.41Å; S6-R836 VanDerWaalsContact CB-NH2 3.29Å; S6-R836 PolarHBondContact OG-NE 2.96Å; S6-R836 VanDerWaalsContact OG-NE 3.12Å; S6-R836 PolarHBondContact OG-NH2 3.09Å |
| 7 | R | 88 | Confident | 83.8 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 134.4 | 165.3 | -68.8 | -173.2 | 171.3 | 102.3 | 7.5 | 109 | A769 L830 | R7-A769 PolarHBondContact NH2-O 3.14Å; R7-L830 CarbonylContact C-O 3.52Å; R7-L830 WeakPolarHBondContact CA-O 3.41Å |
| 8 | L | 87.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -103.4 | 2.9 | 175.9 | -53.8 | -174.1 | 0 | 0 | 0 | 112.5 | M415 V417 H422 L830 Y832 R836 | L8-M415 HydrophobicContact CB-CE 3.64Å; L8-M415 HydrophobicContact CB-SD 4.2Å; L8-M415 HydrophobicContact CD1-CE 3.65Å; L8-M415 HydrophobicContact CG-CE 4.29Å; L8-V417 HydrophobicContact CD1-CG1 4.2Å; L8-H422 WeakPolarHBondContact O-CB 3.47Å; L8-H422 VanDerWaalsContact O-CG 3.24Å; L8-H422 PolarHBondContact O-ND1 3.36Å; L8-H422 VanDerWaalsContact O-ND1 3.1Å; L8-L830 HydrophobicContact CB-CB 4.26Å; L8-L830 HydrophobicContact CB-CD2 4.17Å; L8-L830 HydrophobicContact CB-CG 4.31Å; L8-L830 HydrophobicContact CD1-CD2 4.33Å; L8-L830 PolarHBondContact N-O 2.94Å; L8-Y832 HydrophobicContact CD1-CG 4.44Å; L8-R836 VanDerWaalsContact CD2-CZ 3.49Å | ||
| 9 | S | 89.7 | Confident | 85 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | trans | -125.5 | 151.3 | 177.2 | 59.5 | 0 | 0 | 0 | 0 | 110 | D829 L830 | S9-D829 WeakPolarHBondContact OG-CA 3.48Å; S9-D829 WeakPolarHBondContact OG-CB 3.04Å; S9-D829 PolarHBondContact OG-OD1 2.88Å; S9-L830 PolarHBondContact OG-N 2.99Å | ||
| 10 | S | 89.7 | Confident | 85.3 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | trans | -148.8 | 151.5 | 170.1 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | S30 D31 N346 | S10-S30 VanDerWaalsContact CB-OG 3.22Å; S10-S30 WeakPolarHBondContact CB-OG 3.49Å; S10-S30 PolarHBondContact OG-OG 3.13Å; S10-D31 WeakPolarHBondContact CA-OD2 3.37Å; S10-D31 VanDerWaalsContact CB-OD2 3.31Å; S10-D31 WeakPolarHBondContact CB-OD2 3.49Å; S10-N346 PolarHBondContact O-ND2 2.71Å | ||
| 11 | L | 90.9 | Very high | 85.3 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -80.4 | 125.6 | 166.1 | -73.8 | 179.1 | 0 | 0 | 0 | 109.9 | N14 S30 D31 N346 Q366 E824 R827 | L11-N14 WeakPolarHBondContact CD1-OD1 3.46Å; L11-S30 CarbonylContact O-C 3.55Å; L11-S30 WeakPolarHBondContact O-CA 3.18Å; L11-D31 PolarHBondContact N-OD2 2.82Å; L11-D31 PolarHBondContact O-N 3.48Å; L11-N346 WeakPolarHBondContact CA-OD1 3.44Å; L11-N346 HydrophobicContact CD2-CB 4.18Å; L11-Q366 HydrophobicContact CD2-CG 3.75Å; L11-E824 HydrophobicContact CD1-CG 4.24Å; L11-E824 VanDerWaalsContact CD1-OE2 3.3Å; L11-E824 WeakPolarHBondContact CD1-OE2 3.48Å; L11-R827 VanDerWaalsContact CD1-NH1 3.32Å | ||
| 12 | I | 93.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -106.3 | -6.4 | 179.7 | 66.4 | 170.6 | 0 | 0 | 0 | 113.8 | Y28 S29 N346 F348 K361 G363 | I12-Y28 HydrophobicContact CB-CD2 4.11Å; I12-Y28 HydrophobicContact CB-CE2 4.24Å; I12-Y28 HydrophobicContact CG2-CD2 4.35Å; I12-Y28 HydrophobicContact CG2-CE2 4.01Å; I12-S29 WeakPolarHBondContact CA-O 3.39Å; I12-N346 WeakPolarHBondContact CG1-OD1 3.44Å; I12-N346 PolarHBondContact N-OD1 3.01Å; I12-F348 HydrophobicContact CB-CE1 4.5Å; I12-F348 HydrophobicContact CD1-CD1 3.81Å; I12-F348 HydrophobicContact CD1-CE1 3.8Å; I12-F348 HydrophobicContact CG1-CD1 4.18Å; I12-F348 HydrophobicContact CG1-CE1 4.35Å; I12-K361 HydrophobicContact CD1-CB 4.25Å; I12-K361 HydrophobicContact CD1-CG 3.76Å; I12-G363 VanDerWaalsContact CD1-N 3.3Å |
| 13 | V | 92.1 | Very high | 88.7 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | trans | -107.2 | 13.1 | -177.5 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | A15 N342 N346 S347 | V13-A15 PolarHBondContact O-N 3.11Å; V13-N342 HydrophobicContact CB-CB 4.23Å; V13-N342 HydrophobicContact CG1-CB 4.24Å; V13-N346 HydrophobicContact CG2-CB 4.47Å; V13-N346 PolarHBondContact N-OD1 3.32Å; V13-S347 VanDerWaalsContact CG1-O 3.3Å; V13-S347 WeakPolarHBondContact CG1-O 3.41Å | ||
| 14 | N | 90.7 | Very high | 89.9 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -65.9 | -23.3 | 177 | -72.6 | -22.4 | 0 | 0 | 0 | 112.3 | L11 V54 V55 | L11-N14 WeakPolarHBondContact CD1-OD1 3.46Å; N14-V54 VanDerWaalsContact CB-O 3.25Å; N14-V54 WeakPolarHBondContact CB-O 3.46Å; N14-V55 CarbonylContact O-C 3.5Å; N14-V55 WeakPolarHBondContact O-CA 3.46Å |
| 15 | A | 93.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -132.7 | 152 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V13 S29 I57 N342 | V13-A15 PolarHBondContact O-N 3.11Å; A15-S29 WeakPolarHBondContact CB-OG 3.25Å; A15-S29 PolarHBondContact N-OG 2.83Å; A15-I57 HydrophobicContact CB-CB 4.37Å; A15-I57 HydrophobicContact CB-CD1 4.19Å; A15-I57 HydrophobicContact CB-CG1 3.88Å; A15-N342 PolarHBondContact O-ND2 2.63Å |
| 16 | D | 94.7 | Very high | 91 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | trans | -67.5 | 126.6 | 171.9 | -63.9 | -40.6 | 0 | 0 | 0 | 110.1 | S327 R329 N342 | D16-S327 VanDerWaalsContact OD1-CB 3.28Å; D16-S327 WeakPolarHBondContact OD1-CB 3.36Å; D16-S327 PolarHBondContact OD1-OG 3.44Å; D16-R329 HydrophobicContact CB-CB 4.05Å; D16-R329 HydrophobicContact CB-CG 4.37Å; D16-N342 PolarHBondContact OD1-ND2 3.45Å | ||
| 17 | P | 95.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.013 | 11% | 0.111 | C | C | . | . | trans | -69.1 | 154.6 | 178.7 | 30.4 | -35.5 | 0 | 0 | 0 | 110.7 | V27 H331 S340 N342 F348 | P17-V27 CarbonylContact C-O 3.51Å; P17-V27 WeakPolarHBondContact CA-O 3.48Å; P17-H331 PolarHBondContact O-NE2 2.88Å; P17-H331 VanDerWaalsContact O-NE2 3.16Å; P17-S340 PolarHBondContact O-OG 2.88Å; P17-N342 WeakPolarHBondContact CD-OD1 3.48Å; P17-F348 HydrophobicContact CB-CD2 4.16Å; P17-F348 HydrophobicContact CB-CE2 4.11Å; P17-F348 HydrophobicContact CB-CG 4.49Å; P17-F348 HydrophobicContact CB-CZ 4.39Å; P17-F348 HydrophobicContact CG-CB 4.14Å; P17-F348 HydrophobicContact CG-CD1 4.48Å; P17-F348 HydrophobicContact CG-CD2 3.67Å; P17-F348 HydrophobicContact CG-CE2 4.13Å; P17-F348 HydrophobicContact CG-CG 3.87Å | ||
| 18 | V | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.6 | -178.7 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | L20 I26 V27 I57 P59 C335 | V18-L20 HydrophobicContact CG1-CD2 3.9Å; V18-L20 HydrophobicContact CG1-CG 4.29Å; V18-I26 CarbonylContact O-C 3.53Å; V18-I26 WeakPolarHBondContact O-CA 3.24Å; V18-V27 HydrophobicContact CB-CB 4.47Å; V18-V27 PolarHBondContact N-O 3.1Å; V18-V27 PolarHBondContact O-N 3.35Å; V18-I57 HydrophobicContact CB-CG2 4.35Å; V18-I57 HydrophobicContact CG2-CB 4.41Å; V18-I57 HydrophobicContact CG2-CG2 3.76Å; V18-P59 HydrophobicContact CG1-CB 4.11Å; V18-C335 VanDerWaalsContact CG1-SG 3.54Å |
| 19 | Y | 94.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 19 Ų | 19 | 9% | 0.09 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 109.3 | 171.8 | -177.3 | -138.2 | 0 | 0 | 0 | 110.7 | K21 R25 I26 A39 C335 I338 I350 I358 | Y19-K21 HydrophobicContact CD1-CB 4.24Å; Y19-K21 HydrophobicContact CE1-CB 4Å; Y19-K21 HydrophobicContact CE1-CG 4.01Å; Y19-K21 PolarHBondContact O-N 2.73Å; Y19-K21 VanDerWaalsContact O-N 3.13Å; Y19-R25 WeakPolarHBondContact CD2-O 3.32Å; Y19-I26 HydrophobicContact CD2-CB 4.48Å; Y19-I26 HydrophobicContact CD2-CD1 4.3Å; Y19-I26 HydrophobicContact CD2-CG1 3.36Å; Y19-I26 HydrophobicContact CE2-CG1 3.91Å; Y19-I26 HydrophobicContact CG-CG1 4.16Å; Y19-A39 HydrophobicContact CE2-CB 4.04Å; Y19-C335 WeakPolarHBondContact O-CA 3.46Å; Y19-C335 WeakPolarHBondContact O-CB 3.47Å; Y19-C335 PolarHBondContact O-SG 3.1Å; Y19-C335 VanDerWaalsContact O-SG 3.35Å; Y19-I338 HydrophobicContact CD1-CD1 3.78Å; Y19-I338 HydrophobicContact CD1-CG1 3.88Å; Y19-I338 HydrophobicContact CD1-CG2 4.26Å; Y19-I338 HydrophobicContact CE1-CD1 4.2Å; Y19-I350 HydrophobicContact CD1-CG2 4.07Å; Y19-I350 HydrophobicContact CG-CG2 4.13Å; Y19-I358 HydrophobicContact CE1-CD1 4.37Å; Y19-I358 HydrophobicContact CE1-CG2 4.24Å |
| 20 | L | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 84.1 | 174.5 | -58.3 | 176 | 0 | 0 | 0 | 108.2 | V18 S22 E23 S24 R25 V27 P59 P64 T81 F334 | V18-L20 HydrophobicContact CG1-CD2 3.9Å; V18-L20 HydrophobicContact CG1-CG 4.29Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.24Å; L20-E23 HydrophobicContact CB-CB 4.34Å; L20-E23 CarbonylContact O-C 3.54Å; L20-E23 PolarHBondContact O-N 2.93Å; L20-S24 PolarHBondContact O-N 3.25Å; L20-R25 PolarHBondContact N-O 3.05Å; L20-R25 PolarHBondContact O-N 3.46Å; L20-V27 HydrophobicContact CD1-CG2 4.35Å; L20-P59 HydrophobicContact CD2-CB 4.06Å; L20-P64 WeakPolarHBondContact CD1-O 3.44Å; L20-T81 HydrophobicContact CD1-CG2 3.72Å; L20-F334 HydrophobicContact CD2-CB 4.49Å |
| 21 | K | 85.9 | Confident | 92.5 | Very high | 76 Ų | 76 | 18.8 Ų | 18.8 | 33% | 0.33 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | -58 | -38.4 | -170.5 | -173.3 | 175.5 | 173.2 | -170.4 | 0 | 113.6 | Y19 E23 S24 E336 D337 I338 | Y19-K21 HydrophobicContact CD1-CB 4.24Å; Y19-K21 HydrophobicContact CE1-CB 4Å; Y19-K21 HydrophobicContact CE1-CG 4.01Å; Y19-K21 PolarHBondContact O-N 2.73Å; Y19-K21 VanDerWaalsContact O-N 3.13Å; K21-E23 PolarHBondContact O-N 3.4Å; K21-S24 PolarHBondContact O-N 3.01Å; K21-E336 HydrophobicContact CD-CG 4.5Å; K21-E336 WeakPolarHBondContact CD-OE2 3.47Å; K21-E336 WeakPolarHBondContact CE-OE2 3.38Å; K21-E336 IonicContact NZ-OE2 3.36Å; K21-E336 PolarHBondContact NZ-OE2 2.8Å; K21-D337 IonicContact NZ-OD1 3.54Å; K21-I338 HydrophobicContact CD-CD1 4.4Å; K21-I338 HydrophobicContact CD-CG1 4.4Å |
| 22 | S | 85.2 | Confident | 92.5 | Very high | 71 Ų | 71 | 22.1 Ų | 22.1 | 50% | 0.497 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -63.9 | -26 | 177 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | L20 | L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.24Å |
| 23 | E | 86.1 | Confident | 92.6 | Very high | 43 Ų | 43 | 24.1 Ų | 24.1 | 20% | 0.201 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -105.3 | -3.1 | 179.9 | -60.2 | -63.8 | 173.1 | 0 | 0 | 112 | L20 K21 R25 H65 K82 | L20-E23 HydrophobicContact CB-CB 4.34Å; L20-E23 CarbonylContact O-C 3.54Å; L20-E23 PolarHBondContact O-N 2.93Å; K21-E23 PolarHBondContact O-N 3.4Å; E23-R25 HydrophobicContact CB-CB 4.49Å; E23-R25 HydrophobicContact CB-CG 4.37Å; E23-R25 WeakPolarHBondContact O-CG 3.28Å; E23-R25 PolarHBondContact O-N 2.75Å; E23-H65 HydrophobicContact CG-CB 4.21Å; E23-K82 VanDerWaalsContact CD-NZ 3.27Å; E23-K82 WeakPolarHBondContact OE1-CE 3.41Å; E23-K82 IonicContact OE1-NZ 3.85Å; E23-K82 PolarHBondContact OE1-NZ 2.84Å; E23-K82 WeakPolarHBondContact OE2-CE 3.22Å; E23-K82 IonicContact OE2-NZ 3.09Å; E23-K82 PolarHBondContact OE2-NZ 3.1Å |
| 24 | S | 90.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 22.9 Ų | 22.9 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 40.6 | -172.6 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | L20 K21 A39 H40 | L20-S24 PolarHBondContact O-N 3.25Å; K21-S24 PolarHBondContact O-N 3.01Å; S24-A39 VanDerWaalsContact O-CB 3.25Å; S24-A39 WeakPolarHBondContact O-CB 3.26Å; S24-A39 PolarHBondContact O-N 3.23Å; S24-H40 WeakPolarHBondContact CB-NE2 3.1Å; S24-H40 PolarHBondContact OG-CE1 3.41Å; S24-H40 VanDerWaalsContact OG-CE1 3.27Å; S24-H40 PolarHBondContact OG-NE2 2.97Å |
| 25 | R | 93.9 | Very high | 92.9 | Very high | 52 Ų | 52 | 21.3 Ų | 21.3 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.3 | -179.5 | -71.7 | 179.1 | -163.8 | -129 | -2.9 | 112 | Y19 L20 E23 V36 L37 T81 K82 | Y19-R25 WeakPolarHBondContact CD2-O 3.32Å; L20-R25 PolarHBondContact N-O 3.05Å; L20-R25 PolarHBondContact O-N 3.46Å; E23-R25 HydrophobicContact CB-CB 4.49Å; E23-R25 HydrophobicContact CB-CG 4.37Å; E23-R25 WeakPolarHBondContact O-CG 3.28Å; E23-R25 PolarHBondContact O-N 2.75Å; R25-V36 HydrophobicContact CB-CG1 4.36Å; R25-V36 HydrophobicContact CG-CG1 4.39Å; R25-L37 CarbonylContact C-O 3.57Å; R25-L37 WeakPolarHBondContact CA-O 3.49Å; R25-T81 PolarHBondContact NH1-O 3.24Å; R25-K82 VanDerWaalsContact NH1-CA 3.31Å; R25-K82 PolarHBondContact NH1-O 3.49Å |
| 26 | I | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.6 | 174.9 | -63.2 | 164.2 | 0 | 0 | 0 | 108.3 | V18 Y19 Y28 L37 A39 F348 I350 Y359 | V18-I26 CarbonylContact O-C 3.53Å; V18-I26 WeakPolarHBondContact O-CA 3.24Å; Y19-I26 HydrophobicContact CD2-CB 4.48Å; Y19-I26 HydrophobicContact CD2-CD1 4.3Å; Y19-I26 HydrophobicContact CD2-CG1 3.36Å; Y19-I26 HydrophobicContact CE2-CG1 3.91Å; Y19-I26 HydrophobicContact CG-CG1 4.16Å; I26-Y28 HydrophobicContact CG2-CD1 4.27Å; I26-L37 HydrophobicContact CB-CB 4.25Å; I26-L37 HydrophobicContact CB-CD2 4.33Å; I26-L37 HydrophobicContact CD1-CD2 4.11Å; I26-L37 PolarHBondContact N-O 3.07Å; I26-L37 PolarHBondContact O-N 3.23Å; I26-A39 HydrophobicContact CD1-CB 4.05Å; I26-A39 HydrophobicContact CG1-CB 4.41Å; I26-F348 HydrophobicContact CG2-CE2 4.48Å; I26-I350 HydrophobicContact CB-CD1 4.18Å; I26-I350 HydrophobicContact CD1-CD1 3.83Å; I26-I350 HydrophobicContact CG1-CD1 3.75Å; I26-I350 HydrophobicContact CG2-CD1 3.37Å; I26-Y359 HydrophobicContact CD1-CD1 3.54Å; I26-Y359 HydrophobicContact CD1-CD2 4.1Å; I26-Y359 HydrophobicContact CD1-CE1 4.13Å; I26-Y359 HydrophobicContact CD1-CG 3.49Å; I26-Y359 VanDerWaalsContact CD1-CG 3.49Å |
| 27 | V | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.4 | 179.2 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | P17 V18 L20 V34 V35 V36 I57 A67 T81 | P17-V27 CarbonylContact C-O 3.51Å; P17-V27 WeakPolarHBondContact CA-O 3.48Å; V18-V27 HydrophobicContact CB-CB 4.47Å; V18-V27 PolarHBondContact N-O 3.1Å; V18-V27 PolarHBondContact O-N 3.35Å; L20-V27 HydrophobicContact CD1-CG2 4.35Å; V27-V34 HydrophobicContact CG1-CG1 3.49Å; V27-V34 VanDerWaalsContact CG1-CG1 3.49Å; V27-V35 VanDerWaalsContact CA-O 3.31Å; V27-V35 WeakPolarHBondContact CA-O 3.44Å; V27-V36 HydrophobicContact CG1-CG2 4.41Å; V27-V36 HydrophobicContact CG2-CG2 4.29Å; V27-I57 HydrophobicContact CB-CG2 4.44Å; V27-I57 HydrophobicContact CG1-CD1 4.48Å; V27-I57 HydrophobicContact CG1-CG2 3.97Å; V27-A67 HydrophobicContact CG1-CB 4.18Å; V27-A67 HydrophobicContact CG2-CB 4.22Å; V27-T81 HydrophobicContact CG2-CG2 3.71Å |
| 28 | Y | 96.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 165.1 | 180 | 67.7 | -85.3 | 0 | 0 | 0 | 111.2 | I12 I26 V35 L37 F348 | I12-Y28 HydrophobicContact CB-CD2 4.11Å; I12-Y28 HydrophobicContact CB-CE2 4.24Å; I12-Y28 HydrophobicContact CG2-CD2 4.35Å; I12-Y28 HydrophobicContact CG2-CE2 4.01Å; I26-Y28 HydrophobicContact CG2-CD1 4.27Å; Y28-V35 HydrophobicContact CD1-CB 4.07Å; Y28-V35 HydrophobicContact CD1-CG1 4.4Å; Y28-V35 HydrophobicContact CD2-CB 4.27Å; Y28-V35 HydrophobicContact CE1-CB 3.69Å; Y28-V35 HydrophobicContact CE1-CG1 3.59Å; Y28-V35 HydrophobicContact CE2-CB 3.88Å; Y28-V35 HydrophobicContact CE2-CG1 4.3Å; Y28-V35 HydrophobicContact CE2-CG2 3.98Å; Y28-V35 HydrophobicContact CG-CB 4.35Å; Y28-V35 PolarHBondContact N-O 3.19Å; Y28-V35 PolarHBondContact O-N 3.35Å; Y28-V35 WeakPolarHBondContact OH-CG1 3.19Å; Y28-L37 HydrophobicContact CE1-CB 4.27Å; Y28-F348 HydrophobicContact CD1-CE1 4.37Å; Y28-F348 AromaticContact CD1-CZ 3.94Å; Y28-F348 HydrophobicContact CD1-CZ 3.94Å; Y28-F348 AromaticContact CD2-CE1 3.81Å; Y28-F348 HydrophobicContact CD2-CE1 3.81Å; Y28-F348 HydrophobicContact CD2-CZ 4.21Å; Y28-F348 HydrophobicContact CE1-CZ 4.44Å; Y28-F348 HydrophobicContact CE2-CE1 4.38Å; Y28-F348 AromaticContact CG-CE1 3.81Å; Y28-F348 HydrophobicContact CG-CE1 3.81Å; Y28-F348 AromaticContact CG-CZ 3.8Å; Y28-F348 HydrophobicContact CG-CZ 3.8Å |
| 29 | S | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 152.7 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | I12 A15 I57 | I12-S29 WeakPolarHBondContact CA-O 3.39Å; A15-S29 WeakPolarHBondContact CB-OG 3.25Å; A15-S29 PolarHBondContact N-OG 2.83Å; S29-I57 VanDerWaalsContact N-CD1 3.33Å |
| 30 | S | 93 | Very high | 91.8 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 90 | 169.2 | 170.1 | 0 | 0 | 0 | 0 | 107.1 | S10 L11 K32 F33 | S10-S30 VanDerWaalsContact CB-OG 3.22Å; S10-S30 WeakPolarHBondContact CB-OG 3.49Å; S10-S30 PolarHBondContact OG-OG 3.13Å; L11-S30 CarbonylContact O-C 3.55Å; L11-S30 WeakPolarHBondContact O-CA 3.18Å; S30-K32 PolarHBondContact O-N 3.49Å; S30-F33 PolarHBondContact N-O 3.14Å; S30-F33 WeakPolarHBondContact O-CB 3.39Å; S30-F33 PolarHBondContact O-N 3.39Å |
| 31 | D | 91.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | -107.8 | -164.7 | -70.3 | -49 | 0 | 0 | 0 | 111.9 | S10 L11 S53 V54 R827 | S10-D31 WeakPolarHBondContact CA-OD2 3.37Å; S10-D31 VanDerWaalsContact CB-OD2 3.31Å; S10-D31 WeakPolarHBondContact CB-OD2 3.49Å; L11-D31 PolarHBondContact N-OD2 2.82Å; L11-D31 PolarHBondContact O-N 3.48Å; D31-S53 CarbonylContact O-C 3.58Å; D31-S53 VanDerWaalsContact O-CA 3.3Å; D31-S53 WeakPolarHBondContact O-CA 3.41Å; D31-V54 PolarHBondContact O-N 2.67Å; D31-R827 IonicContact OD1-CZ 2.65Å; D31-R827 IonicContact OD1-NH1 3.68Å; D31-R827 PolarHBondContact OD1-NH1 2.88Å; D31-R827 IonicContact OD1-NH2 2.62Å; D31-R827 PolarHBondContact OD1-NH2 2.73Å; D31-R827 IonicContact OD2-CZ 3.29Å; D31-R827 IonicContact OD2-NH1 3.77Å; D31-R827 IonicContact OD2-NH2 3.12Å; D31-R827 PolarHBondContact OD2-NH2 3.44Å |
| 32 | K | 91.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 31 Ų | 31 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.6 | -178.3 | 67.2 | 178.6 | -177.8 | 178.9 | 0 | 114.5 | S30 D52 | S30-K32 PolarHBondContact O-N 3.49Å; K32-D52 VanDerWaalsContact CA-O 3.31Å; K32-D52 WeakPolarHBondContact CA-O 3.04Å; K32-D52 VanDerWaalsContact CB-O 3.32Å; K32-D52 WeakPolarHBondContact CB-O 3.32Å |
| 33 | F | 94 | Very high | 91.1 | Very high | 49 Ų | 49 | 30.7 Ų | 30.7 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 148.7 | -178.8 | -56.1 | -69.1 | 0 | 0 | 0 | 110.3 | S30 F46 H48 | S30-F33 PolarHBondContact N-O 3.14Å; S30-F33 WeakPolarHBondContact O-CB 3.39Å; S30-F33 PolarHBondContact O-N 3.39Å; F33-F46 HydrophobicContact CB-CD1 4.07Å; F33-F46 HydrophobicContact CD2-CD1 4.45Å; F33-F46 HydrophobicContact CG-CD1 4.31Å; F33-H48 AromaticContact CE1-CD2 3.45Å; F33-H48 VanDerWaalsContact CE1-CD2 3.45Å; F33-H48 WeakPolarHBondContact CE1-CD2 3.33Å; F33-H48 AromaticContact CE1-NE2 3.43Å; F33-H48 WeakPolarHBondContact CE1-NE2 3.07Å |
| 34 | V | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.1 | 162.9 | 176.2 | 0 | 0 | 0 | 0 | 106.3 | V27 L47 V54 I57 W79 | V27-V34 HydrophobicContact CG1-CG1 3.49Å; V27-V34 VanDerWaalsContact CG1-CG1 3.49Å; V34-L47 HydrophobicContact CB-CB 4.18Å; V34-L47 HydrophobicContact CB-CD1 4.43Å; V34-L47 HydrophobicContact CG1-CD1 4.21Å; V34-L47 PolarHBondContact N-O 3.04Å; V34-L47 WeakPolarHBondContact O-CA 3.32Å; V34-L47 VanDerWaalsContact O-CB 3.31Å; V34-L47 WeakPolarHBondContact O-CB 3.25Å; V34-L47 WeakPolarHBondContact O-CG 3.06Å; V34-L47 PolarHBondContact O-N 3.47Å; V34-V54 HydrophobicContact CG2-CG1 4.28Å; V34-V54 HydrophobicContact CG2-CG2 4.06Å; V34-I57 HydrophobicContact CG1-CD1 4.41Å; V34-W79 HydrophobicContact CG2-CZ2 4.37Å |
| 35 | V | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | V27 Y28 Q45 F46 | V27-V35 VanDerWaalsContact CA-O 3.31Å; V27-V35 WeakPolarHBondContact CA-O 3.44Å; Y28-V35 HydrophobicContact CD1-CB 4.07Å; Y28-V35 HydrophobicContact CD1-CG1 4.4Å; Y28-V35 HydrophobicContact CD2-CB 4.27Å; Y28-V35 HydrophobicContact CE1-CB 3.69Å; Y28-V35 HydrophobicContact CE1-CG1 3.59Å; Y28-V35 HydrophobicContact CE2-CB 3.88Å; Y28-V35 HydrophobicContact CE2-CG1 4.3Å; Y28-V35 HydrophobicContact CE2-CG2 3.98Å; Y28-V35 HydrophobicContact CG-CB 4.35Å; Y28-V35 PolarHBondContact N-O 3.19Å; Y28-V35 PolarHBondContact O-N 3.35Å; Y28-V35 WeakPolarHBondContact OH-CG1 3.19Å; V35-Q45 WeakPolarHBondContact CA-O 3.24Å; V35-F46 HydrophobicContact CG1-CE2 4.49Å; V35-F46 HydrophobicContact CG2-CD1 3.62Å; V35-F46 HydrophobicContact CG2-CE1 3.54Å; V35-F46 HydrophobicContact CG2-CG 4.24Å; V35-F46 HydrophobicContact CG2-CZ 4.09Å |
| 36 | V | 95.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.6 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | R25 V27 S44 Q45 L47 T81 | R25-V36 HydrophobicContact CB-CG1 4.36Å; R25-V36 HydrophobicContact CG-CG1 4.39Å; V27-V36 HydrophobicContact CG1-CG2 4.41Å; V27-V36 HydrophobicContact CG2-CG2 4.29Å; V36-S44 CarbonylContact O-C 3.56Å; V36-S44 WeakPolarHBondContact O-CA 3.34Å; V36-Q45 PolarHBondContact N-O 3.43Å; V36-Q45 PolarHBondContact O-N 3.15Å; V36-L47 HydrophobicContact CG2-CD1 3.62Å; V36-L47 HydrophobicContact CG2-CD2 4.49Å; V36-L47 HydrophobicContact CG2-CG 4.07Å; V36-T81 HydrophobicContact CG2-CG2 4.32Å |
| 37 | L | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.7 | 178.7 | 176.6 | 80.3 | 0 | 0 | 0 | 108.8 | R25 I26 Y28 G42 V43 Y359 | R25-L37 CarbonylContact C-O 3.57Å; R25-L37 WeakPolarHBondContact CA-O 3.49Å; I26-L37 HydrophobicContact CB-CB 4.25Å; I26-L37 HydrophobicContact CB-CD2 4.33Å; I26-L37 HydrophobicContact CD1-CD2 4.11Å; I26-L37 PolarHBondContact N-O 3.07Å; I26-L37 PolarHBondContact O-N 3.23Å; Y28-L37 HydrophobicContact CE1-CB 4.27Å; L37-G42 VanDerWaalsContact CD1-C 3.5Å; L37-G42 WeakPolarHBondContact CD1-O 3.24Å; L37-V43 WeakPolarHBondContact CA-O 3.32Å; L37-Y359 HydrophobicContact CD2-CD2 4.48Å; L37-Y359 HydrophobicContact CD2-CE1 3.74Å; L37-Y359 HydrophobicContact CD2-CE2 3.71Å; L37-Y359 WeakPolarHBondContact CD2-OH 3.22Å |
| 38 | D | 90.4 | Very high | 91 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 21% | 0.214 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 119 | 167.3 | -179.8 | -63.4 | 0 | 0 | 0 | 109.1 | H40 T41 G42 V43 | D38-H40 VanDerWaalsContact C-N 3.25Å; D38-H40 PolarHBondContact O-N 3.19Å; D38-H40 WeakPolarHBondContact OD1-CB 3.3Å; D38-H40 PolarHBondContact OD1-N 2.87Å; D38-T41 VanDerWaalsContact CB-OG1 3.27Å; D38-T41 WeakPolarHBondContact CB-OG1 3.18Å; D38-T41 PolarHBondContact OD1-N 3.28Å; D38-T41 PolarHBondContact OD1-OG1 3.25Å; D38-G42 VanDerWaalsContact O-CA 3.29Å; D38-G42 WeakPolarHBondContact O-CA 3.03Å; D38-G42 PolarHBondContact O-N 3.29Å; D38-V43 PolarHBondContact N-O 3Å |
| 39 | A | 85.7 | Confident | 90.8 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y19 S24 I26 | Y19-A39 HydrophobicContact CE2-CB 4.04Å; S24-A39 VanDerWaalsContact O-CB 3.25Å; S24-A39 WeakPolarHBondContact O-CB 3.26Å; S24-A39 PolarHBondContact O-N 3.23Å; I26-A39 HydrophobicContact CD1-CB 4.05Å; I26-A39 HydrophobicContact CG1-CB 4.41Å |
| 40 | H | 83.7 | Confident | 90.7 | Very high | 134 Ų | 134 | 41 Ų | 41 | 62% | 0.62 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -43.3 | 178 | -60.2 | -45.3 | 0 | 0 | 0 | 111.7 | S24 D38 | S24-H40 WeakPolarHBondContact CB-NE2 3.1Å; S24-H40 PolarHBondContact OG-CE1 3.41Å; S24-H40 VanDerWaalsContact OG-CE1 3.27Å; S24-H40 PolarHBondContact OG-NE2 2.97Å; D38-H40 VanDerWaalsContact C-N 3.25Å; D38-H40 PolarHBondContact O-N 3.19Å; D38-H40 WeakPolarHBondContact OD1-CB 3.3Å; D38-H40 PolarHBondContact OD1-N 2.87Å |
| 41 | T | 83.4 | Confident | 90.6 | Very high | 82 Ų | 82 | 50 Ų | 50 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -18.3 | -175.6 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | D38 V43 | D38-T41 VanDerWaalsContact CB-OG1 3.27Å; D38-T41 WeakPolarHBondContact CB-OG1 3.18Å; D38-T41 PolarHBondContact OD1-N 3.28Å; D38-T41 PolarHBondContact OD1-OG1 3.25Å; T41-V43 PolarHBondContact O-N 3.35Å; T41-V43 PolarHBondContact OG1-N 3.08Å |
| 42 | G | 79.9 | Confident | 90.6 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | trans | 68.2 | 12.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L37 D38 | L37-G42 VanDerWaalsContact CD1-C 3.5Å; L37-G42 WeakPolarHBondContact CD1-O 3.24Å; D38-G42 VanDerWaalsContact O-CA 3.29Å; D38-G42 WeakPolarHBondContact O-CA 3.03Å; D38-G42 PolarHBondContact O-N 3.29Å | ||
| 43 | V | 86.6 | Confident | 90.6 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 38% | 0.382 | 24% | 0.239 | S | C | . | . | trans | -81.6 | 122.9 | -179.5 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | L37 D38 T41 | L37-V43 WeakPolarHBondContact CA-O 3.32Å; D38-V43 PolarHBondContact N-O 3Å; T41-V43 PolarHBondContact O-N 3.35Å; T41-V43 PolarHBondContact OG1-N 3.08Å | ||
| 44 | S | 89.2 | Confident | 90.6 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141.6 | 177.2 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | V36 E421 | V36-S44 CarbonylContact O-C 3.56Å; V36-S44 WeakPolarHBondContact O-CA 3.34Å; S44-E421 WeakPolarHBondContact OG-CG 3.25Å; S44-E421 PolarHBondContact OG-OE1 3.12Å |
| 45 | Q | 91.2 | Very high | 90.4 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.1 | 175.1 | -170.6 | 167.9 | -5.1 | 0 | 0 | 110.5 | V35 V36 L47 C84 | V35-Q45 WeakPolarHBondContact CA-O 3.24Å; V36-Q45 PolarHBondContact N-O 3.43Å; V36-Q45 PolarHBondContact O-N 3.15Å; Q45-L47 HydrophobicContact CG-CD2 4.31Å; Q45-C84 HydrophobicContact CG-CB 4.43Å; Q45-C84 PolarHBondContact OE1-SG 3.04Å |
| 46 | F | 91.9 | Very high | 90.2 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.6 | -177.8 | -72.7 | -103.9 | 0 | 0 | 0 | 111.1 | F33 V35 H48 | F33-F46 HydrophobicContact CB-CD1 4.07Å; F33-F46 HydrophobicContact CD2-CD1 4.45Å; F33-F46 HydrophobicContact CG-CD1 4.31Å; V35-F46 HydrophobicContact CG1-CE2 4.49Å; V35-F46 HydrophobicContact CG2-CD1 3.62Å; V35-F46 HydrophobicContact CG2-CE1 3.54Å; V35-F46 HydrophobicContact CG2-CG 4.24Å; V35-F46 HydrophobicContact CG2-CZ 4.09Å; F46-H48 PolarHBondContact O-CE1 2.83Å; F46-H48 PolarHBondContact O-ND1 3.43Å |
| 47 | L | 94.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.6 | 179.3 | -47.9 | -170.8 | 0 | 0 | 0 | 111 | V34 V36 Q45 W79 C84 | V34-L47 HydrophobicContact CB-CB 4.18Å; V34-L47 HydrophobicContact CB-CD1 4.43Å; V34-L47 HydrophobicContact CG1-CD1 4.21Å; V34-L47 PolarHBondContact N-O 3.04Å; V34-L47 WeakPolarHBondContact O-CA 3.32Å; V34-L47 VanDerWaalsContact O-CB 3.31Å; V34-L47 WeakPolarHBondContact O-CB 3.25Å; V34-L47 WeakPolarHBondContact O-CG 3.06Å; V34-L47 PolarHBondContact O-N 3.47Å; V36-L47 HydrophobicContact CG2-CD1 3.62Å; V36-L47 HydrophobicContact CG2-CD2 4.49Å; V36-L47 HydrophobicContact CG2-CG 4.07Å; Q45-L47 HydrophobicContact CG-CD2 4.31Å; L47-W79 HydrophobicContact CB-CD2 4.41Å; L47-W79 HydrophobicContact CB-CE3 3.96Å; L47-W79 HydrophobicContact CB-CH2 3.81Å; L47-W79 HydrophobicContact CB-CZ2 4.32Å; L47-W79 HydrophobicContact CB-CZ3 3.62Å; L47-W79 HydrophobicContact CD1-CB 4.13Å; L47-W79 HydrophobicContact CD1-CD2 3.7Å; L47-W79 HydrophobicContact CD1-CE3 3.54Å; L47-W79 HydrophobicContact CD1-CG 3.98Å; L47-W79 HydrophobicContact CD1-CZ3 4.11Å; L47-W79 HydrophobicContact CG-CE3 4.33Å; L47-W79 HydrophobicContact CG-CZ3 4.43Å; L47-C84 HydrophobicContact CD2-CB 3.45Å; L47-C84 VanDerWaalsContact CD2-CB 3.45Å |
| 48 | H | 93.5 | Very high | 90.1 | Very high | 123 Ų | 123 | 47.7 Ų | 47.7 | 57% | 0.569 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109.2 | -174.2 | -70 | 66 | 0 | 0 | 0 | 110.7 | F33 F46 K86 | F33-H48 AromaticContact CE1-CD2 3.45Å; F33-H48 VanDerWaalsContact CE1-CD2 3.45Å; F33-H48 WeakPolarHBondContact CE1-CD2 3.33Å; F33-H48 AromaticContact CE1-NE2 3.43Å; F33-H48 WeakPolarHBondContact CE1-NE2 3.07Å; F46-H48 PolarHBondContact O-CE1 2.83Å; F46-H48 PolarHBondContact O-ND1 3.43Å; H48-K86 WeakPolarHBondContact O-CE 3.36Å; H48-K86 PolarHBondContact O-NZ 3.27Å |
| 49 | G | 90.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | trans | -154.7 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K75 K86 | G49-K75 PolarHBondContact O-NZ 3.31Å; G49-K86 VanDerWaalsContact CA-CE 3.5Å | ||
| 50 | H | 93.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | trans | -81 | 147.7 | 176.8 | -65.5 | -81.8 | 0 | 0 | 0 | 111.6 | D52 V54 S69 D73 K75 | H50-D52 WeakPolarHBondContact CB-O 3.28Å; H50-V54 HydrophobicContact CB-CG2 4.15Å; H50-V54 VanDerWaalsContact CD2-CG2 3.48Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.29Å; H50-S69 PolarHBondContact NE2-OG 2.82Å; H50-D73 VanDerWaalsContact CA-OD2 3.24Å; H50-D73 WeakPolarHBondContact CA-OD2 3Å; H50-D73 IonicContact CE1-OD1 3.35Å; H50-D73 IonicContact CG-OD1 3.3Å; H50-D73 IonicContact ND1-OD1 2.98Å; H50-D73 PolarHBondContact ND1-OD1 2.8Å; H50-D73 IonicContact ND1-OD2 2.88Å; H50-K75 PolarHBondContact CE1-O 3.3Å; H50-K75 VanDerWaalsContact CE1-O 3.23Å | ||
| 51 | R | 90.6 | Very high | 89.9 | Confident | 193 Ų | 193 | 41.9 Ų | 41.9 | 73% | 0.728 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -94.3 | -11.5 | 174.2 | -68.6 | -176.1 | 175.7 | 174.6 | -1.3 | 112.8 | D73 | R51-D73 HydrophobicContact CB-CB 4.07Å; R51-D73 PolarHBondContact N-OD2 2.78Å |
| 52 | D | 90.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -142.6 | 178.2 | -179.4 | -152.6 | -9.4 | 0 | 0 | 0 | 110.2 | K32 H50 V54 L72 D73 P772 L773 C774 | K32-D52 VanDerWaalsContact CA-O 3.31Å; K32-D52 WeakPolarHBondContact CA-O 3.04Å; K32-D52 VanDerWaalsContact CB-O 3.32Å; K32-D52 WeakPolarHBondContact CB-O 3.32Å; H50-D52 WeakPolarHBondContact CB-O 3.28Å; D52-V54 PolarHBondContact O-N 3.12Å; D52-L72 HydrophobicContact CB-CB 4.06Å; D52-D73 HydrophobicContact CB-CB 3.97Å; D52-P772 WeakPolarHBondContact OD1-CA 3.39Å; D52-P772 VanDerWaalsContact OD1-CB 3.22Å; D52-P772 WeakPolarHBondContact OD1-CB 3.42Å; D52-L773 PolarHBondContact OD1-N 3.45Å; D52-L773 PolarHBondContact OD2-N 3.25Å; D52-C774 WeakPolarHBondContact OD2-CA 2.91Å; D52-C774 VanDerWaalsContact OD2-CB 3.22Å; D52-C774 WeakPolarHBondContact OD2-CB 3.47Å; D52-C774 PolarHBondContact OD2-N 3.09Å |
| 53 | S | 92.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | trans | -58.5 | 135.6 | -173.9 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | D31 G71 L72 | D31-S53 CarbonylContact O-C 3.58Å; D31-S53 VanDerWaalsContact O-CA 3.3Å; D31-S53 WeakPolarHBondContact O-CA 3.41Å; S53-G71 WeakPolarHBondContact O-CA 3.33Å; S53-L72 PolarHBondContact O-N 2.93Å | ||
| 54 | V | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.5 | 171 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | N14 D31 V34 H50 D52 I57 | N14-V54 VanDerWaalsContact CB-O 3.25Å; N14-V54 WeakPolarHBondContact CB-O 3.46Å; D31-V54 PolarHBondContact O-N 2.67Å; V34-V54 HydrophobicContact CG2-CG1 4.28Å; V34-V54 HydrophobicContact CG2-CG2 4.06Å; H50-V54 HydrophobicContact CB-CG2 4.15Å; H50-V54 VanDerWaalsContact CD2-CG2 3.48Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.29Å; D52-V54 PolarHBondContact O-N 3.12Å; V54-I57 HydrophobicContact CG1-CD1 4.17Å; V54-I57 HydrophobicContact CG1-CG1 3.84Å |
| 55 | V | 91.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -13.9 | -176.9 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | N14 G70 L72 I96 | N14-V55 CarbonylContact O-C 3.5Å; N14-V55 WeakPolarHBondContact O-CA 3.46Å; V55-G70 WeakPolarHBondContact CG2-O 3.22Å; V55-G70 PolarHBondContact N-O 3.49Å; V55-L72 HydrophobicContact CG1-CD1 3.86Å; V55-L72 HydrophobicContact CG1-CD2 4.01Å; V55-L72 HydrophobicContact CG1-CG 3.62Å; V55-I96 VanDerWaalsContact CG2-O 3.31Å; V55-I96 WeakPolarHBondContact CG2-O 3.27Å |
| 56 | W | 90.8 | Very high | 90.4 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 138.4 | -175.6 | -154.4 | -95.7 | 0 | 0 | 0 | 111.7 | S69 G70 F98 C99 F100 | W56-S69 CarbonylContact O-C 3.56Å; W56-S69 VanDerWaalsContact O-CA 3.24Å; W56-S69 WeakPolarHBondContact O-CA 3.41Å; W56-G70 PolarHBondContact N-O 3.29Å; W56-G70 PolarHBondContact O-N 2.91Å; W56-F98 HydrophobicContact CE3-CB 4.2Å; W56-F98 HydrophobicContact CZ3-CB 4.2Å; W56-C99 PolarHBondContact NE1-O 3.05Å; W56-F100 HydrophobicContact CH2-CE1 4.36Å; W56-F100 HydrophobicContact CZ2-CD1 4.46Å; W56-F100 AromaticContact CZ2-CE1 3.89Å; W56-F100 HydrophobicContact CZ2-CE1 3.89Å; W56-F100 HydrophobicContact CZ2-CZ 4.42Å |
| 57 | I | 94.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.7 | 173.5 | -59.8 | 177.1 | 0 | 0 | 0 | 107.9 | A15 V18 V27 S29 V34 V54 I68 | A15-I57 HydrophobicContact CB-CB 4.37Å; A15-I57 HydrophobicContact CB-CD1 4.19Å; A15-I57 HydrophobicContact CB-CG1 3.88Å; V18-I57 HydrophobicContact CB-CG2 4.35Å; V18-I57 HydrophobicContact CG2-CB 4.41Å; V18-I57 HydrophobicContact CG2-CG2 3.76Å; V27-I57 HydrophobicContact CB-CG2 4.44Å; V27-I57 HydrophobicContact CG1-CD1 4.48Å; V27-I57 HydrophobicContact CG1-CG2 3.97Å; S29-I57 VanDerWaalsContact N-CD1 3.33Å; V34-I57 HydrophobicContact CG1-CD1 4.41Å; V54-I57 HydrophobicContact CG1-CD1 4.17Å; V54-I57 HydrophobicContact CG1-CG1 3.84Å; I57-I68 CarbonylContact C-O 3.5Å; I57-I68 VanDerWaalsContact CA-O 3.3Å; I57-I68 WeakPolarHBondContact CA-O 3.3Å |
| 58 | V | 91.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.4 | 176.4 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | A67 I68 P101 | V58-A67 CarbonylContact O-C 3.43Å; V58-A67 WeakPolarHBondContact O-CA 3.31Å; V58-I68 HydrophobicContact CG2-CB 3.78Å; V58-I68 HydrophobicContact CG2-CD1 4.49Å; V58-I68 HydrophobicContact CG2-CG1 4.39Å; V58-I68 PolarHBondContact N-O 2.71Å; V58-I68 PolarHBondContact O-N 2.96Å; V58-P101 HydrophobicContact CB-CG 4.39Å; V58-P101 HydrophobicContact CG2-CG 4.07Å |
| 59 | P | 90.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 150.5 | 169.3 | 27.7 | -35.1 | 0 | 0 | 0 | 110.7 | V18 L20 H331 | V18-P59 HydrophobicContact CG1-CB 4.11Å; L20-P59 HydrophobicContact CD2-CB 4.06Å; P59-H331 HydrophobicContact CG-CB 4.01Å |
| 60 | G | 86.2 | Confident | 90.5 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | trans | -64.5 | 150.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H66 F334 | G60-H66 WeakPolarHBondContact CA-O 3.31Å; G60-H66 PolarHBondContact N-O 3.48Å; G60-F334 WeakPolarHBondContact O-CD2 3.34Å; G60-F334 WeakPolarHBondContact O-CE2 3.44Å | ||
| 61 | I | 79.8 | Confident | 90.5 | Very high | 63 Ų | 63 | 31.3 Ų | 31.3 | 32% | 0.323 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -80.3 | -44.5 | 178.7 | -51 | 171.1 | 0 | 0 | 0 | 110.4 | P101 T102 Y106 | I61-P101 HydrophobicContact CD1-CB 3.51Å; I61-P101 HydrophobicContact CG1-CB 3.69Å; I61-T102 WeakPolarHBondContact CD1-O 3.23Å; I61-Y106 HydrophobicContact CD1-CE1 4.5Å |
| 62 | D | 82.4 | Confident | 90.4 | Very high | 96 Ų | 96 | 22.6 Ų | 22.6 | 51% | 0.513 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -88.9 | -31.2 | -166 | -52 | -34.2 | 0 | 0 | 0 | 113 | R123 | D62-R123 IonicContact OD1-NH1 3.07Å; D62-R123 PolarHBondContact OD1-NH1 2.93Å; D62-R123 IonicContact OD2-CZ 3.9Å; D62-R123 IonicContact OD2-NH1 3.62Å; D62-R123 PolarHBondContact OD2-NH1 2.86Å; D62-R123 IonicContact OD2-NH2 3.93Å; D62-R123 PolarHBondContact OD2-NH2 2.89Å |
| 63 | K | 87.9 | Confident | 90.3 | Very high | 98 Ų | 98 | 23.8 Ų | 23.8 | 43% | 0.426 | 12% | 0.124 | S | C | . | . | trans | -138.2 | 143 | -172 | -58.3 | -166.2 | -165.7 | 170.9 | 0 | 112.5 | H65 H66 F334 | K63-H65 VanDerWaalsContact C-N 3.31Å; K63-H65 PolarHBondContact O-N 2.72Å; K63-H66 HydrophobicContact CB-CB 4.37Å; K63-H66 PolarHBondContact O-N 2.94Å; K63-F334 VanDerWaalsContact C-CE2 3.43Å | ||
| 64 | P | 88 | Confident | 90.1 | Very high | 39 Ų | 39 | 23.6 Ų | 23.6 | 25% | 0.253 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.4 | -176.2 | 25.1 | -34.3 | 0 | 0 | 0 | 114.6 | L20 F334 | L20-P64 WeakPolarHBondContact CD1-O 3.44Å; P64-F334 HydrophobicContact CB-CB 4.4Å; P64-F334 HydrophobicContact CB-CD1 3.52Å; P64-F334 HydrophobicContact CB-CD2 4.46Å; P64-F334 HydrophobicContact CB-CE1 3.77Å; P64-F334 HydrophobicContact CB-CG 3.89Å; P64-F334 HydrophobicContact CB-CZ 4.35Å; P64-F334 HydrophobicContact CG-CE1 4.31Å |
| 65 | H | 90.3 | Very high | 89.9 | Confident | 31 Ų | 31 | 25.4 Ų | 25.4 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 4.2 | 179.3 | 53.9 | -84 | 0 | 0 | 0 | 112.9 | E23 K63 D80 T81 K82 | E23-H65 HydrophobicContact CG-CB 4.21Å; K63-H65 VanDerWaalsContact C-N 3.31Å; K63-H65 PolarHBondContact O-N 2.72Å; H65-D80 IonicContact CD2-OD1 3.88Å; H65-D80 PolarHBondContact CD2-OD1 3.36Å; H65-D80 VanDerWaalsContact CD2-OD1 3.26Å; H65-T81 WeakPolarHBondContact O-CB 3.28Å; H65-T81 WeakPolarHBondContact O-CG2 3.42Å; H65-T81 PolarHBondContact O-N 3.27Å; H65-T81 PolarHBondContact O-OG1 2.79Å; H65-K82 HydrophobicContact CB-CD 4.04Å; H65-K82 HydrophobicContact CB-CG 3.89Å |
| 66 | H | 92.2 | Very high | 89.9 | Confident | 13 Ų | 13 | 24.4 Ų | 24.4 | 6% | 0.06 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143.4 | 177.1 | -74.3 | -172.4 | 0 | 0 | 0 | 111 | G60 K63 V78 W79 | G60-H66 WeakPolarHBondContact CA-O 3.31Å; G60-H66 PolarHBondContact N-O 3.48Å; K63-H66 HydrophobicContact CB-CB 4.37Å; K63-H66 PolarHBondContact O-N 2.94Å; H66-V78 HydrophobicContact CB-CG1 4.35Å; H66-W79 VanDerWaalsContact CA-O 3.25Å; H66-W79 WeakPolarHBondContact CA-O 3.09Å |
| 67 | A | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V27 V58 W79 T81 | V27-A67 HydrophobicContact CG1-CB 4.18Å; V27-A67 HydrophobicContact CG2-CB 4.22Å; V58-A67 CarbonylContact O-C 3.43Å; V58-A67 WeakPolarHBondContact O-CA 3.31Å; A67-W79 PolarHBondContact N-O 3.07Å; A67-W79 PolarHBondContact O-N 3.18Å; A67-T81 HydrophobicContact CB-CG2 3.92Å |
| 68 | I | 92.8 | Very high | 90 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.2 | -178.7 | -46.4 | 179.9 | 0 | 0 | 0 | 107.9 | I57 V58 I77 V78 Y106 | I57-I68 CarbonylContact C-O 3.5Å; I57-I68 VanDerWaalsContact CA-O 3.3Å; I57-I68 WeakPolarHBondContact CA-O 3.3Å; V58-I68 HydrophobicContact CG2-CB 3.78Å; V58-I68 HydrophobicContact CG2-CD1 4.49Å; V58-I68 HydrophobicContact CG2-CG1 4.39Å; V58-I68 PolarHBondContact N-O 2.71Å; V58-I68 PolarHBondContact O-N 2.96Å; I68-I77 CarbonylContact C-O 3.48Å; I68-I77 WeakPolarHBondContact CA-O 3.24Å; I68-V78 HydrophobicContact CD1-CG2 4.44Å; I68-V78 HydrophobicContact CG1-CG1 4.48Å; I68-V78 HydrophobicContact CG1-CG2 4.18Å; I68-V78 HydrophobicContact CG2-CG2 4.37Å; I68-Y106 HydrophobicContact CD1-CE1 3.62Å |
| 69 | S | 94.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | H50 W56 L76 I77 W79 | H50-S69 PolarHBondContact NE2-OG 2.82Å; W56-S69 CarbonylContact O-C 3.56Å; W56-S69 VanDerWaalsContact O-CA 3.24Å; W56-S69 WeakPolarHBondContact O-CA 3.41Å; S69-L76 CarbonylContact O-C 3.53Å; S69-L76 WeakPolarHBondContact O-CA 3.07Å; S69-I77 PolarHBondContact N-O 3.45Å; S69-I77 PolarHBondContact O-N 3.08Å; S69-W79 PolarHBondContact OG-NE1 3.15Å |
| 70 | G | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V55 W56 | V55-G70 WeakPolarHBondContact CG2-O 3.22Å; V55-G70 PolarHBondContact N-O 3.49Å; W56-G70 PolarHBondContact N-O 3.29Å; W56-G70 PolarHBondContact O-N 2.91Å |
| 71 | G | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 157.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S53 D73 G74 K75 I96 | S53-G71 WeakPolarHBondContact O-CA 3.33Å; G71-D73 PolarHBondContact O-N 2.86Å; G71-D73 VanDerWaalsContact O-N 3.12Å; G71-G74 PolarHBondContact O-N 2.87Å; G71-K75 PolarHBondContact N-O 3.29Å; G71-K75 VanDerWaalsContact N-O 3.08Å; G71-I96 PolarHBondContact O-N 2.95Å |
| 72 | L | 89.3 | Confident | 91.1 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.1 | 170.5 | -69.7 | 169.2 | 0 | 0 | 0 | 113 | D52 S53 V55 G74 P95 I96 P772 C774 | D52-L72 HydrophobicContact CB-CB 4.06Å; S53-L72 PolarHBondContact O-N 2.93Å; V55-L72 HydrophobicContact CG1-CD1 3.86Å; V55-L72 HydrophobicContact CG1-CD2 4.01Å; V55-L72 HydrophobicContact CG1-CG 3.62Å; L72-G74 PolarHBondContact O-N 2.78Å; L72-P95 HydrophobicContact CD2-CB 4.29Å; L72-P95 WeakPolarHBondContact O-CA 2.99Å; L72-P95 VanDerWaalsContact O-CB 3.29Å; L72-P95 WeakPolarHBondContact O-CB 3.49Å; L72-I96 WeakPolarHBondContact CD2-O 3.15Å; L72-P772 HydrophobicContact CD1-CB 3.56Å; L72-P772 HydrophobicContact CD1-CG 3.83Å; L72-C774 HydrophobicContact CB-CB 4.21Å |
| 73 | D | 89.3 | Confident | 91.5 | Very high | 35 Ų | 35 | 23.3 Ų | 23.3 | 19% | 0.187 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 0.2 | 170.2 | 71.4 | -22.1 | 0 | 0 | 0 | 113.8 | H50 R51 D52 G71 K75 | H50-D73 VanDerWaalsContact CA-OD2 3.24Å; H50-D73 WeakPolarHBondContact CA-OD2 3Å; H50-D73 IonicContact CE1-OD1 3.35Å; H50-D73 IonicContact CG-OD1 3.3Å; H50-D73 IonicContact ND1-OD1 2.98Å; H50-D73 PolarHBondContact ND1-OD1 2.8Å; H50-D73 IonicContact ND1-OD2 2.88Å; R51-D73 HydrophobicContact CB-CB 4.07Å; R51-D73 PolarHBondContact N-OD2 2.78Å; D52-D73 HydrophobicContact CB-CB 3.97Å; G71-D73 PolarHBondContact O-N 2.86Å; G71-D73 VanDerWaalsContact O-N 3.12Å; D73-K75 VanDerWaalsContact C-N 3.33Å; D73-K75 PolarHBondContact OD1-N 2.9Å; D73-K75 VanDerWaalsContact OD2-CD 3.29Å; D73-K75 WeakPolarHBondContact OD2-CD 3.37Å; D73-K75 WeakPolarHBondContact OD2-CE 3.36Å; D73-K75 IonicContact OD2-NZ 3.24Å |
| 74 | G | 87.3 | Confident | 91.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 74.6 | 22.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G71 L72 N91 T92 F94 | G71-G74 PolarHBondContact O-N 2.87Å; L72-G74 PolarHBondContact O-N 2.78Å; G74-N91 PolarHBondContact O-OD1 2.87Å; G74-T92 PolarHBondContact O-N 2.78Å; G74-T92 PolarHBondContact O-OG1 3.42Å; G74-F94 WeakPolarHBondContact CA-O 3.47Å |
| 75 | K | 91.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 23.9 Ų | 23.9 | 16% | 0.161 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.5 | 174.1 | -60.6 | -176.2 | -165.9 | 168.4 | 0 | 111 | G49 H50 G71 D73 I77 I89 L90 I96 | G49-K75 PolarHBondContact O-NZ 3.31Å; H50-K75 PolarHBondContact CE1-O 3.3Å; H50-K75 VanDerWaalsContact CE1-O 3.23Å; G71-K75 PolarHBondContact N-O 3.29Å; G71-K75 VanDerWaalsContact N-O 3.08Å; D73-K75 VanDerWaalsContact C-N 3.33Å; D73-K75 PolarHBondContact OD1-N 2.9Å; D73-K75 VanDerWaalsContact OD2-CD 3.29Å; D73-K75 WeakPolarHBondContact OD2-CD 3.37Å; D73-K75 WeakPolarHBondContact OD2-CE 3.36Å; D73-K75 IonicContact OD2-NZ 3.24Å; K75-I77 HydrophobicContact CB-CD1 4.49Å; K75-I77 HydrophobicContact CB-CG1 4.17Å; K75-I77 HydrophobicContact CD-CD1 4.42Å; K75-I89 HydrophobicContact CD-CG2 4.29Å; K75-L90 CarbonylContact C-O 3.53Å; K75-L90 WeakPolarHBondContact CA-O 3.46Å; K75-I96 VanDerWaalsContact O-CD1 3.25Å; K75-I96 WeakPolarHBondContact O-CD1 3.4Å |
| 76 | L | 91.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.5 | 157.9 | -70.8 | 166.7 | 0 | 0 | 0 | 107.4 | S69 L90 T92 I96 C99 Y106 | S69-L76 CarbonylContact O-C 3.53Å; S69-L76 WeakPolarHBondContact O-CA 3.07Å; L76-L90 HydrophobicContact CB-CB 4.21Å; L76-L90 HydrophobicContact CD1-CD2 4.06Å; L76-L90 PolarHBondContact N-O 3.4Å; L76-L90 PolarHBondContact O-N 2.79Å; L76-T92 HydrophobicContact CD1-CG2 4.24Å; L76-I96 HydrophobicContact CD2-CD1 3.83Å; L76-I96 HydrophobicContact CG-CD1 3.68Å; L76-C99 HydrophobicContact CD2-CB 4.04Å; L76-Y106 HydrophobicContact CD1-CD2 4.33Å; L76-Y106 HydrophobicContact CD1-CG 4.23Å |
| 77 | I | 93.4 | Very high | 92 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.2 | -179.7 | -55.1 | -179.3 | 0 | 0 | 0 | 108.6 | I68 S69 K75 W79 K86 Q88 I89 | I68-I77 CarbonylContact C-O 3.48Å; I68-I77 WeakPolarHBondContact CA-O 3.24Å; S69-I77 PolarHBondContact N-O 3.45Å; S69-I77 PolarHBondContact O-N 3.08Å; K75-I77 HydrophobicContact CB-CD1 4.49Å; K75-I77 HydrophobicContact CB-CG1 4.17Å; K75-I77 HydrophobicContact CD-CD1 4.42Å; I77-W79 HydrophobicContact CB-CZ2 4Å; I77-W79 HydrophobicContact CD1-CH2 4.44Å; I77-W79 HydrophobicContact CD1-CZ2 3.86Å; I77-W79 HydrophobicContact CG2-CD2 3.77Å; I77-W79 HydrophobicContact CG2-CE3 4.26Å; I77-W79 HydrophobicContact CG2-CG 4.29Å; I77-W79 HydrophobicContact CG2-CH2 4.13Å; I77-W79 HydrophobicContact CG2-CZ2 3.55Å; I77-W79 HydrophobicContact CG2-CZ3 4.44Å; I77-K86 HydrophobicContact CG2-CB 4.28Å; I77-K86 HydrophobicContact CG2-CD 4.5Å; I77-K86 HydrophobicContact CG2-CG 3.97Å; I77-Q88 WeakPolarHBondContact CA-O 2.85Å; I77-I89 HydrophobicContact CG1-CG1 4.38Å; I77-I89 HydrophobicContact CG1-CG2 4.35Å; I77-I89 HydrophobicContact CG2-CG1 4.35Å |
| 78 | V | 93.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.4 | 169 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | H66 I68 V87 Q88 | H66-V78 HydrophobicContact CB-CG1 4.35Å; I68-V78 HydrophobicContact CD1-CG2 4.44Å; I68-V78 HydrophobicContact CG1-CG1 4.48Å; I68-V78 HydrophobicContact CG1-CG2 4.18Å; I68-V78 HydrophobicContact CG2-CG2 4.37Å; V78-V87 HydrophobicContact CB-CB 4.33Å; V78-V87 HydrophobicContact CG1-CB 4.17Å; V78-V87 PolarHBondContact O-N 2.86Å; V78-Q88 HydrophobicContact CB-CB 4.03Å; V78-Q88 HydrophobicContact CG2-CB 3.99Å; V78-Q88 PolarHBondContact N-O 3.09Å; V78-Q88 PolarHBondContact O-N 2.58Å |
| 79 | W | 95.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.6 | -179.9 | -57.4 | 95.6 | 0 | 0 | 0 | 110 | V34 L47 H66 A67 S69 I77 E85 K86 | V34-W79 HydrophobicContact CG2-CZ2 4.37Å; L47-W79 HydrophobicContact CB-CD2 4.41Å; L47-W79 HydrophobicContact CB-CE3 3.96Å; L47-W79 HydrophobicContact CB-CH2 3.81Å; L47-W79 HydrophobicContact CB-CZ2 4.32Å; L47-W79 HydrophobicContact CB-CZ3 3.62Å; L47-W79 HydrophobicContact CD1-CB 4.13Å; L47-W79 HydrophobicContact CD1-CD2 3.7Å; L47-W79 HydrophobicContact CD1-CE3 3.54Å; L47-W79 HydrophobicContact CD1-CG 3.98Å; L47-W79 HydrophobicContact CD1-CZ3 4.11Å; L47-W79 HydrophobicContact CG-CE3 4.33Å; L47-W79 HydrophobicContact CG-CZ3 4.43Å; H66-W79 VanDerWaalsContact CA-O 3.25Å; H66-W79 WeakPolarHBondContact CA-O 3.09Å; A67-W79 PolarHBondContact N-O 3.07Å; A67-W79 PolarHBondContact O-N 3.18Å; S69-W79 PolarHBondContact OG-NE1 3.15Å; I77-W79 HydrophobicContact CB-CZ2 4Å; I77-W79 HydrophobicContact CD1-CH2 4.44Å; I77-W79 HydrophobicContact CD1-CZ2 3.86Å; I77-W79 HydrophobicContact CG2-CD2 3.77Å; I77-W79 HydrophobicContact CG2-CE3 4.26Å; I77-W79 HydrophobicContact CG2-CG 4.29Å; I77-W79 HydrophobicContact CG2-CH2 4.13Å; I77-W79 HydrophobicContact CG2-CZ2 3.55Å; I77-W79 HydrophobicContact CG2-CZ3 4.44Å; W79-E85 WeakPolarHBondContact CA-O 3.37Å; W79-K86 HydrophobicContact CE3-CG 3.72Å; W79-K86 HydrophobicContact CH2-CD 4.19Å; W79-K86 HydrophobicContact CH2-CG 3.71Å; W79-K86 HydrophobicContact CZ3-CB 4.43Å; W79-K86 HydrophobicContact CZ3-CD 4.12Å; W79-K86 HydrophobicContact CZ3-CG 3.22Å |
| 80 | D | 94.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 112.3 | 160.1 | 177.6 | -8.3 | 0 | 0 | 0 | 107.3 | H65 K82 T83 C84 E85 V87 | H65-D80 IonicContact CD2-OD1 3.88Å; H65-D80 PolarHBondContact CD2-OD1 3.36Å; H65-D80 VanDerWaalsContact CD2-OD1 3.26Å; D80-K82 VanDerWaalsContact C-N 3.26Å; D80-K82 PolarHBondContact O-N 2.92Å; D80-K82 WeakPolarHBondContact OD1-CA 3.3Å; D80-K82 VanDerWaalsContact OD1-CB 3.32Å; D80-K82 WeakPolarHBondContact OD1-CB 3.49Å; D80-K82 PolarHBondContact OD1-N 3.48Å; D80-T83 VanDerWaalsContact CB-OG1 3.29Å; D80-T83 WeakPolarHBondContact CB-OG1 3.37Å; D80-T83 PolarHBondContact OD1-N 3.41Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.48Å; D80-T83 PolarHBondContact OD2-OG1 3.06Å; D80-C84 WeakPolarHBondContact O-CA 3.47Å; D80-C84 PolarHBondContact O-N 3.22Å; D80-E85 PolarHBondContact N-O 2.81Å; D80-E85 PolarHBondContact O-N 3.3Å; D80-V87 HydrophobicContact CB-CG2 3.63Å |
| 81 | T | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.3 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | L20 R25 V27 V36 H65 A67 C84 | L20-T81 HydrophobicContact CD1-CG2 3.72Å; R25-T81 PolarHBondContact NH1-O 3.24Å; V27-T81 HydrophobicContact CG2-CG2 3.71Å; V36-T81 HydrophobicContact CG2-CG2 4.32Å; H65-T81 WeakPolarHBondContact O-CB 3.28Å; H65-T81 WeakPolarHBondContact O-CG2 3.42Å; H65-T81 PolarHBondContact O-N 3.27Å; H65-T81 PolarHBondContact O-OG1 2.79Å; A67-T81 HydrophobicContact CB-CG2 3.92Å; T81-C84 PolarHBondContact O-SG 3.41Å |
| 82 | K | 90 | Very high | 90.7 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -55.1 | 178 | -76.2 | -178.3 | 179.2 | 179.7 | 0 | 112.4 | E23 R25 H65 D80 | E23-K82 VanDerWaalsContact CD-NZ 3.27Å; E23-K82 WeakPolarHBondContact OE1-CE 3.41Å; E23-K82 IonicContact OE1-NZ 3.85Å; E23-K82 PolarHBondContact OE1-NZ 2.84Å; E23-K82 WeakPolarHBondContact OE2-CE 3.22Å; E23-K82 IonicContact OE2-NZ 3.09Å; E23-K82 PolarHBondContact OE2-NZ 3.1Å; R25-K82 VanDerWaalsContact NH1-CA 3.31Å; R25-K82 PolarHBondContact NH1-O 3.49Å; H65-K82 HydrophobicContact CB-CD 4.04Å; H65-K82 HydrophobicContact CB-CG 3.89Å; D80-K82 VanDerWaalsContact C-N 3.26Å; D80-K82 PolarHBondContact O-N 2.92Å; D80-K82 WeakPolarHBondContact OD1-CA 3.3Å; D80-K82 VanDerWaalsContact OD1-CB 3.32Å; D80-K82 WeakPolarHBondContact OD1-CB 3.49Å; D80-K82 PolarHBondContact OD1-N 3.48Å |
| 83 | T | 90.8 | Very high | 90.2 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -14.5 | -178.5 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | D80 E85 | D80-T83 VanDerWaalsContact CB-OG1 3.29Å; D80-T83 WeakPolarHBondContact CB-OG1 3.37Å; D80-T83 PolarHBondContact OD1-N 3.41Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.48Å; D80-T83 PolarHBondContact OD2-OG1 3.06Å; T83-E85 PolarHBondContact O-N 3.16Å |
| 84 | C | 91.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 11% | 0.108 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.9 | -175.7 | -69.6 | 0 | 0 | 0 | 0 | 113.5 | Q45 L47 D80 T81 | Q45-C84 HydrophobicContact CG-CB 4.43Å; Q45-C84 PolarHBondContact OE1-SG 3.04Å; L47-C84 HydrophobicContact CD2-CB 3.45Å; L47-C84 VanDerWaalsContact CD2-CB 3.45Å; D80-C84 WeakPolarHBondContact O-CA 3.47Å; D80-C84 PolarHBondContact O-N 3.22Å; T81-C84 PolarHBondContact O-SG 3.41Å |
| 85 | E | 93.5 | Very high | 89.7 | Confident | 133 Ų | 133 | 56.7 Ų | 56.7 | 62% | 0.621 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 160.1 | 179 | -64.2 | -168.7 | 163.4 | 0 | 0 | 113.1 | W79 D80 T83 V87 | W79-E85 WeakPolarHBondContact CA-O 3.37Å; D80-E85 PolarHBondContact N-O 2.81Å; D80-E85 PolarHBondContact O-N 3.3Å; T83-E85 PolarHBondContact O-N 3.16Å; E85-V87 PolarHBondContact O-N 3.07Å |
| 86 | K | 93.6 | Very high | 89.4 | Confident | 97 Ų | 97 | 55 Ų | 55 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 111.4 | 173.1 | -62.5 | 172.1 | -164.3 | 157.7 | 0 | 108.8 | H48 G49 I77 W79 I89 | H48-K86 WeakPolarHBondContact O-CE 3.36Å; H48-K86 PolarHBondContact O-NZ 3.27Å; G49-K86 VanDerWaalsContact CA-CE 3.5Å; I77-K86 HydrophobicContact CG2-CB 4.28Å; I77-K86 HydrophobicContact CG2-CD 4.5Å; I77-K86 HydrophobicContact CG2-CG 3.97Å; W79-K86 HydrophobicContact CE3-CG 3.72Å; W79-K86 HydrophobicContact CH2-CD 4.19Å; W79-K86 HydrophobicContact CH2-CG 3.71Å; W79-K86 HydrophobicContact CZ3-CB 4.43Å; W79-K86 HydrophobicContact CZ3-CD 4.12Å; W79-K86 HydrophobicContact CZ3-CG 3.22Å; K86-I89 HydrophobicContact CD-CD1 3.85Å; K86-I89 HydrophobicContact CD-CG1 4.41Å |
| 87 | V | 91.6 | Very high | 88.9 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -44.9 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | V78 D80 E85 | V78-V87 HydrophobicContact CB-CB 4.33Å; V78-V87 HydrophobicContact CG1-CB 4.17Å; V78-V87 PolarHBondContact O-N 2.86Å; D80-V87 HydrophobicContact CB-CG2 3.63Å; E85-V87 PolarHBondContact O-N 3.07Å |
| 88 | Q | 89 | Confident | 88.3 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 144.4 | -177.6 | -169.3 | 176.7 | 11.5 | 0 | 0 | 110.7 | I77 V78 | I77-Q88 WeakPolarHBondContact CA-O 2.85Å; V78-Q88 HydrophobicContact CB-CB 4.03Å; V78-Q88 HydrophobicContact CG2-CB 3.99Å; V78-Q88 PolarHBondContact N-O 3.09Å; V78-Q88 PolarHBondContact O-N 2.58Å |
| 89 | I | 90.9 | Very high | 87.7 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 48% | 0.482 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.1 | 173.9 | -54.9 | 173.6 | 0 | 0 | 0 | 108.2 | K75 I77 K86 | K75-I89 HydrophobicContact CD-CG2 4.29Å; I77-I89 HydrophobicContact CG1-CG1 4.38Å; I77-I89 HydrophobicContact CG1-CG2 4.35Å; I77-I89 HydrophobicContact CG2-CG1 4.35Å; K86-I89 HydrophobicContact CD-CD1 3.85Å; K86-I89 HydrophobicContact CD-CG1 4.41Å |
| 90 | L | 88.7 | Confident | 87 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.2 | 172.1 | 176.5 | 66.3 | 0 | 0 | 0 | 109 | K75 L76 Y106 Y121 Y128 | K75-L90 CarbonylContact C-O 3.53Å; K75-L90 WeakPolarHBondContact CA-O 3.46Å; L76-L90 HydrophobicContact CB-CB 4.21Å; L76-L90 HydrophobicContact CD1-CD2 4.06Å; L76-L90 PolarHBondContact N-O 3.4Å; L76-L90 PolarHBondContact O-N 2.79Å; L90-Y106 HydrophobicContact CD2-CD2 4.04Å; L90-Y106 HydrophobicContact CD2-CE2 4.49Å; L90-Y121 HydrophobicContact CD1-CD2 4.41Å; L90-Y121 HydrophobicContact CD1-CE1 4.14Å; L90-Y121 HydrophobicContact CD1-CE2 3.81Å; L90-Y121 HydrophobicContact CD2-CD1 3.56Å; L90-Y121 HydrophobicContact CD2-CD2 4.24Å; L90-Y121 HydrophobicContact CD2-CE1 3.56Å; L90-Y121 HydrophobicContact CD2-CE2 4.26Å; L90-Y121 HydrophobicContact CD2-CG 3.88Å; L90-Y128 WeakPolarHBondContact CD1-OH 3.43Å |
| 91 | N | 87.5 | Confident | 86.2 | Confident | 89 Ų | 89 | 60 Ų | 60 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.8 | 179.1 | -174.5 | -6.7 | 0 | 0 | 0 | 110 | G74 R93 Y128 | G74-N91 PolarHBondContact O-OD1 2.87Å; N91-R93 VanDerWaalsContact C-N 3.26Å; N91-R93 PolarHBondContact O-N 3.04Å; N91-R93 WeakPolarHBondContact OD1-CA 3.44Å; N91-R93 PolarHBondContact OD1-N 2.82Å; N91-Y128 PolarHBondContact O-OH 3.06Å |
| 92 | T | 81.5 | Confident | 85.4 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | trans | -77.8 | -11.5 | -179.9 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | G74 L76 F94 I96 F108 | G74-T92 PolarHBondContact O-N 2.78Å; G74-T92 PolarHBondContact O-OG1 3.42Å; L76-T92 HydrophobicContact CD1-CG2 4.24Å; T92-F94 WeakPolarHBondContact O-CD2 3.07Å; T92-F94 PolarHBondContact O-N 2.79Å; T92-F94 PolarHBondContact OG1-N 2.87Å; T92-F94 PolarHBondContact OG1-O 2.91Å; T92-I96 HydrophobicContact CG2-CD1 4.27Å; T92-I96 HydrophobicContact CG2-CG1 4.43Å; T92-F108 HydrophobicContact CG2-CD1 4.22Å; T92-F108 HydrophobicContact CG2-CD2 4.11Å; T92-F108 HydrophobicContact CG2-CE1 3.88Å; T92-F108 HydrophobicContact CG2-CE2 3.74Å; T92-F108 HydrophobicContact CG2-CG 4.34Å; T92-F108 HydrophobicContact CG2-CZ 3.62Å | ||
| 93 | R | 78.7 | Confident | 84.5 | Confident | 218 Ų | 218 | 60.1 Ų | 60.1 | 82% | 0.823 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 66.3 | -2.1 | -174.6 | -49.7 | -179.6 | -178.1 | -174.2 | 0.4 | 115.5 | N91 | N91-R93 VanDerWaalsContact C-N 3.26Å; N91-R93 PolarHBondContact O-N 3.04Å; N91-R93 WeakPolarHBondContact OD1-CA 3.44Å; N91-R93 PolarHBondContact OD1-N 2.82Å |
| 94 | F | 80.4 | Confident | 83.6 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -130.4 | 143.8 | -179.3 | -58.9 | -76.9 | 0 | 0 | 0 | 110.6 | G74 T92 I96 H110 | G74-F94 WeakPolarHBondContact CA-O 3.47Å; T92-F94 WeakPolarHBondContact O-CD2 3.07Å; T92-F94 PolarHBondContact O-N 2.79Å; T92-F94 PolarHBondContact OG1-N 2.87Å; T92-F94 PolarHBondContact OG1-O 2.91Å; F94-I96 PolarHBondContact O-N 2.9Å; F94-H110 HydrophobicContact CB-CB 3.82Å; F94-H110 VanDerWaalsContact CB-CD2 3.5Å; F94-H110 WeakPolarHBondContact CB-CD2 3.36Å; F94-H110 AromaticContact CD1-CD2 3.71Å; F94-H110 AromaticContact CD1-NE2 3.98Å; F94-H110 AromaticContact CG-CD2 3.52Å; F94-H110 AromaticContact CG-NE2 3.84Å |
| 95 | P | 84.9 | Confident | 83.1 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | trans | -55 | 124.5 | 175.5 | -25.1 | 34.7 | 0 | 0 | 0 | 111.2 | L72 H110 | L72-P95 HydrophobicContact CD2-CB 4.29Å; L72-P95 WeakPolarHBondContact O-CA 2.99Å; L72-P95 VanDerWaalsContact O-CB 3.29Å; L72-P95 WeakPolarHBondContact O-CB 3.49Å; P95-H110 WeakPolarHBondContact O-CA 3.08Å; P95-H110 WeakPolarHBondContact O-CB 3.25Å | ||
| 96 | I | 85.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -78.5 | 133.5 | 178.7 | -63.9 | 158.1 | 0 | 0 | 0 | 108.1 | V55 G71 L72 K75 L76 T92 F94 C99 F108 | V55-I96 VanDerWaalsContact CG2-O 3.31Å; V55-I96 WeakPolarHBondContact CG2-O 3.27Å; G71-I96 PolarHBondContact O-N 2.95Å; L72-I96 WeakPolarHBondContact CD2-O 3.15Å; K75-I96 VanDerWaalsContact O-CD1 3.25Å; K75-I96 WeakPolarHBondContact O-CD1 3.4Å; L76-I96 HydrophobicContact CD2-CD1 3.83Å; L76-I96 HydrophobicContact CG-CD1 3.68Å; T92-I96 HydrophobicContact CG2-CD1 4.27Å; T92-I96 HydrophobicContact CG2-CG1 4.43Å; F94-I96 PolarHBondContact O-N 2.9Å; I96-C99 HydrophobicContact CG2-CB 4.2Å; I96-F108 HydrophobicContact CG2-CB 4.49Å | ||
| 97 | D | 81.5 | Confident | 81.9 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -99.6 | -49.1 | 175 | -164.4 | 37.6 | 0 | 0 | 0 | 110.6 | S109 H116 | D97-S109 PolarHBondContact N-O 2.77Å; D97-H116 IonicContact OD2-CE1 3.44Å; D97-H116 PolarHBondContact OD2-CE1 3.09Å; D97-H116 IonicContact OD2-ND1 2.65Å; D97-H116 PolarHBondContact OD2-ND1 2.79Å |
| 98 | F | 80.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.5 | 169.8 | 61.3 | -101.4 | 0 | 0 | 0 | 110.4 | W56 F100 F108 S109 V118 M140 | W56-F98 HydrophobicContact CE3-CB 4.2Å; W56-F98 HydrophobicContact CZ3-CB 4.2Å; F98-F100 AromaticContact CD2-CD2 3.84Å; F98-F100 HydrophobicContact CD2-CD2 3.84Å; F98-F100 AromaticContact CD2-CE2 3.35Å; F98-F100 HydrophobicContact CD2-CE2 3.35Å; F98-F100 HydrophobicContact CD2-CZ 4.21Å; F98-F100 HydrophobicContact CE2-CD2 4.07Å; F98-F100 AromaticContact CE2-CE2 3.62Å; F98-F100 HydrophobicContact CE2-CE2 3.62Å; F98-F100 HydrophobicContact CG-CE2 4.29Å; F98-F108 WeakPolarHBondContact O-CA 3.47Å; F98-F108 WeakPolarHBondContact O-CB 3.44Å; F98-S109 WeakPolarHBondContact CE1-OG 3.38Å; F98-S109 PolarHBondContact O-N 2.83Å; F98-V118 HydrophobicContact CZ-CG2 4.2Å; F98-M140 HydrophobicContact CE1-CB 3.84Å; F98-M140 HydrophobicContact CE1-CG 3.67Å; F98-M140 HydrophobicContact CE2-CB 4.46Å; F98-M140 HydrophobicContact CZ-CB 3.64Å; F98-M140 HydrophobicContact CZ-CG 3.62Å |
| 99 | C | 82.1 | Confident | 81.1 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 132.3 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | W56 L76 I96 I107 F108 | W56-C99 PolarHBondContact NE1-O 3.05Å; L76-C99 HydrophobicContact CD2-CB 4.04Å; I96-C99 HydrophobicContact CG2-CB 4.2Å; C99-I107 CarbonylContact C-O 3.58Å; C99-I107 WeakPolarHBondContact CA-O 3.34Å; C99-I107 PolarHBondContact SG-O 3.01Å; C99-F108 HydrophobicContact CB-CB 4.09Å |
| 100 | F | 79 | Confident | 80.6 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.4 | 174.1 | -60.2 | -72.5 | 0 | 0 | 0 | 110.2 | W56 F98 Y106 I107 Y142 | W56-F100 HydrophobicContact CH2-CE1 4.36Å; W56-F100 HydrophobicContact CZ2-CD1 4.46Å; W56-F100 AromaticContact CZ2-CE1 3.89Å; W56-F100 HydrophobicContact CZ2-CE1 3.89Å; W56-F100 HydrophobicContact CZ2-CZ 4.42Å; F98-F100 AromaticContact CD2-CD2 3.84Å; F98-F100 HydrophobicContact CD2-CD2 3.84Å; F98-F100 AromaticContact CD2-CE2 3.35Å; F98-F100 HydrophobicContact CD2-CE2 3.35Å; F98-F100 HydrophobicContact CD2-CZ 4.21Å; F98-F100 HydrophobicContact CE2-CD2 4.07Å; F98-F100 AromaticContact CE2-CE2 3.62Å; F98-F100 HydrophobicContact CE2-CE2 3.62Å; F98-F100 HydrophobicContact CG-CE2 4.29Å; F100-Y106 WeakPolarHBondContact O-CA 3.47Å; F100-I107 PolarHBondContact N-O 2.83Å; F100-I107 PolarHBondContact O-N 2.85Å; F100-Y142 HydrophobicContact CB-CD1 3.89Å; F100-Y142 HydrophobicContact CB-CE1 4.42Å; F100-Y142 HydrophobicContact CD2-CD1 4.21Å; F100-Y142 HydrophobicContact CD2-CG 4.03Å; F100-Y142 HydrophobicContact CG-CD1 4.04Å; F100-Y142 HydrophobicContact CG-CG 4.32Å |
| 101 | P | 78.5 | Confident | 79.9 | Confident | 44 Ų | 44 | 38.1 Ų | 38.1 | 29% | 0.286 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 138.4 | 166.9 | 26.5 | -28.2 | 0 | 0 | 0 | 110.1 | V58 I61 Y106 | V58-P101 HydrophobicContact CB-CG 4.39Å; V58-P101 HydrophobicContact CG2-CG 4.07Å; I61-P101 HydrophobicContact CD1-CB 3.51Å; I61-P101 HydrophobicContact CG1-CB 3.69Å; P101-Y106 HydrophobicContact CB-CD1 4.36Å; P101-Y106 HydrophobicContact CB-CE1 4.39Å |
| 102 | T | 75 | Confident | 79.3 | Confident | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | trans | -120.8 | 166 | 171.2 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | I61 T104 G105 I107 Y142 | I61-T102 WeakPolarHBondContact CD1-O 3.23Å; T102-T104 PolarHBondContact O-N 2.82Å; T102-T104 VanDerWaalsContact O-N 3.12Å; T102-G105 PolarHBondContact N-O 2.98Å; T102-G105 PolarHBondContact O-N 2.85Å; T102-G105 VanDerWaalsContact OG1-C 3.26Å; T102-G105 WeakPolarHBondContact OG1-CA 3.47Å; T102-G105 PolarHBondContact OG1-N 3.16Å; T102-G105 PolarHBondContact OG1-O 2.87Å; T102-I107 HydrophobicContact CG2-CD1 3.77Å; T102-I107 HydrophobicContact CG2-CG1 4.18Å; T102-Y142 HydrophobicContact CG2-CE1 3.89Å | ||
| 103 | A | 70.8 | Confident | 78.8 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 72% | 0.719 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -56.1 | -31.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 104 | T | 72.8 | Confident | 78.5 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 55% | 0.546 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -102.4 | -11.6 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | T102 R123 | T102-T104 PolarHBondContact O-N 2.82Å; T102-T104 VanDerWaalsContact O-N 3.12Å; T104-R123 WeakPolarHBondContact O-CB 3.34Å; T104-R123 PolarHBondContact O-N 2.76Å |
| 105 | G | 80.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -159.6 | -156.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | T102 Y121 | T102-G105 PolarHBondContact N-O 2.98Å; T102-G105 PolarHBondContact O-N 2.85Å; T102-G105 VanDerWaalsContact OG1-C 3.26Å; T102-G105 WeakPolarHBondContact OG1-CA 3.47Å; T102-G105 PolarHBondContact OG1-N 3.16Å; T102-G105 PolarHBondContact OG1-O 2.87Å; G105-Y121 CarbonylContact C-O 3.57Å; G105-Y121 WeakPolarHBondContact CA-O 3.47Å |
| 106 | Y | 81.9 | Confident | 78 | Confident | 8 Ų | 8 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.8 | 172.9 | -56 | -66 | 0 | 0 | 0 | 109.4 | I61 I68 L76 L90 F100 P101 S120 Y121 R123 | I61-Y106 HydrophobicContact CD1-CE1 4.5Å; I68-Y106 HydrophobicContact CD1-CE1 3.62Å; L76-Y106 HydrophobicContact CD1-CD2 4.33Å; L76-Y106 HydrophobicContact CD1-CG 4.23Å; L90-Y106 HydrophobicContact CD2-CD2 4.04Å; L90-Y106 HydrophobicContact CD2-CE2 4.49Å; F100-Y106 WeakPolarHBondContact O-CA 3.47Å; P101-Y106 HydrophobicContact CB-CD1 4.36Å; P101-Y106 HydrophobicContact CB-CE1 4.39Å; Y106-S120 CarbonylContact O-C 3.59Å; Y106-S120 WeakPolarHBondContact O-CA 3.12Å; Y106-Y121 AromaticContact CD2-CD1 3.78Å; Y106-Y121 HydrophobicContact CD2-CD1 3.78Å; Y106-Y121 HydrophobicContact CD2-CE1 4.32Å; Y106-Y121 HydrophobicContact CE2-CD1 4.48Å; Y106-Y121 PolarHBondContact N-O 3.48Å; Y106-Y121 PolarHBondContact O-N 2.67Å; Y106-R123 HydrophobicContact CD2-CG 4.45Å; Y106-R123 HydrophobicContact CE2-CG 3.96Å |
| 107 | I | 80.6 | Confident | 77.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.7 | 165.6 | -71.4 | 165.1 | 0 | 0 | 0 | 107.7 | C99 F100 T102 V118 K119 Y142 | C99-I107 CarbonylContact C-O 3.58Å; C99-I107 WeakPolarHBondContact CA-O 3.34Å; C99-I107 PolarHBondContact SG-O 3.01Å; F100-I107 PolarHBondContact N-O 2.83Å; F100-I107 PolarHBondContact O-N 2.85Å; T102-I107 HydrophobicContact CG2-CD1 3.77Å; T102-I107 HydrophobicContact CG2-CG1 4.18Å; I107-V118 HydrophobicContact CG2-CG1 3.53Å; I107-K119 CarbonylContact C-O 3.55Å; I107-K119 WeakPolarHBondContact CA-O 3.45Å; I107-Y142 HydrophobicContact CD1-CD2 4.3Å; I107-Y142 HydrophobicContact CD1-CE1 3.97Å; I107-Y142 HydrophobicContact CD1-CE2 3.39Å; I107-Y142 WeakPolarHBondContact CD1-OH 3.22Å |
| 108 | F | 81.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.8 | 178.4 | 62.6 | -85.1 | 0 | 0 | 0 | 110.7 | T92 I96 F98 C99 K119 Y128 | T92-F108 HydrophobicContact CG2-CD1 4.22Å; T92-F108 HydrophobicContact CG2-CD2 4.11Å; T92-F108 HydrophobicContact CG2-CE1 3.88Å; T92-F108 HydrophobicContact CG2-CE2 3.74Å; T92-F108 HydrophobicContact CG2-CG 4.34Å; T92-F108 HydrophobicContact CG2-CZ 3.62Å; I96-F108 HydrophobicContact CG2-CB 4.49Å; F98-F108 WeakPolarHBondContact O-CA 3.47Å; F98-F108 WeakPolarHBondContact O-CB 3.44Å; C99-F108 HydrophobicContact CB-CB 4.09Å; F108-K119 HydrophobicContact CE1-CB 4.1Å; F108-K119 HydrophobicContact CE2-CB 4Å; F108-K119 HydrophobicContact CE2-CD 4.22Å; F108-K119 HydrophobicContact CE2-CG 4.42Å; F108-K119 HydrophobicContact CZ-CB 3.74Å; F108-K119 HydrophobicContact CZ-CD 4.15Å; F108-K119 HydrophobicContact CZ-CG 4.45Å; F108-K119 PolarHBondContact N-O 3.47Å; F108-K119 PolarHBondContact O-N 2.89Å; F108-Y128 AromaticContact CE1-CD1 3.88Å; F108-Y128 HydrophobicContact CE1-CD1 3.88Å; F108-Y128 AromaticContact CE1-CE1 3.63Å; F108-Y128 HydrophobicContact CE1-CE1 3.63Å; F108-Y128 AromaticContact CZ-CD1 3.72Å; F108-Y128 HydrophobicContact CZ-CD1 3.72Å; F108-Y128 AromaticContact CZ-CE1 3.52Å; F108-Y128 HydrophobicContact CZ-CE1 3.52Å |
| 109 | S | 80.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 151.9 | 174.3 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | D97 F98 I117 | D97-S109 PolarHBondContact N-O 2.77Å; F98-S109 WeakPolarHBondContact CE1-OG 3.38Å; F98-S109 PolarHBondContact O-N 2.83Å; S109-I117 WeakPolarHBondContact CA-O 3.48Å |
| 110 | H | 80.3 | Confident | 77.6 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153 | 167.7 | 67.5 | -62.9 | 0 | 0 | 0 | 109.5 | F94 P95 I117 K119 | F94-H110 HydrophobicContact CB-CB 3.82Å; F94-H110 VanDerWaalsContact CB-CD2 3.5Å; F94-H110 WeakPolarHBondContact CB-CD2 3.36Å; F94-H110 AromaticContact CD1-CD2 3.71Å; F94-H110 AromaticContact CD1-NE2 3.98Å; F94-H110 AromaticContact CG-CD2 3.52Å; F94-H110 AromaticContact CG-NE2 3.84Å; P95-H110 WeakPolarHBondContact O-CA 3.08Å; P95-H110 WeakPolarHBondContact O-CB 3.25Å; H110-I117 WeakPolarHBondContact CE1-CB 3.21Å; H110-I117 PolarHBondContact N-O 3.31Å; H110-I117 PolarHBondContact ND1-O 2.91Å; H110-I117 VanDerWaalsContact ND1-O 3.08Å; H110-I117 PolarHBondContact O-N 2.83Å; H110-K119 WeakPolarHBondContact CE1-CE 3.38Å |
| 111 | T | 75.8 | Confident | 77.6 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 17% | 0.172 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.1 | 174.2 | -42.8 | 0 | 0 | 0 | 0 | 110.2 | K115 H116 Q136 | T111-K115 CarbonylContact C-O 3.55Å; T111-K115 WeakPolarHBondContact CA-O 3.16Å; T111-H116 PolarHBondContact OG1-CE1 3.39Å; T111-H116 PolarHBondContact OG1-ND1 2.88Å; T111-Q136 HydrophobicContact CG2-CG 4.31Å |
| 112 | C | 73.4 | Confident | 77.6 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 29% | 0.291 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.4 | 173.8 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | N114 K115 I117 | C112-N114 VanDerWaalsContact C-N 3.32Å; C112-N114 PolarHBondContact O-N 3.45Å; C112-K115 PolarHBondContact N-O 3.1Å; C112-K115 PolarHBondContact O-N 2.87Å; C112-K115 VanDerWaalsContact O-O 3.07Å; C112-I117 HydrophobicContact CB-CD1 3.73Å |
| 113 | K | 71.7 | Confident | 77.6 | Confident | 191 Ų | 191 | 42.5 Ų | 42.5 | 83% | 0.83 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 45.7 | 178 | -60.5 | 178.8 | 179.6 | 177.8 | 0 | 114.3 | K115 | K113-K115 VanDerWaalsContact C-N 3.26Å; K113-K115 PolarHBondContact O-N 3.31Å |
| 114 | N | 72.2 | Confident | 77.9 | Confident | 120 Ų | 120 | 43.2 Ų | 43.2 | 64% | 0.642 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 31.5 | -176.7 | -61.8 | -8.1 | 0 | 0 | 0 | 114.5 | C112 Q136 | C112-N114 VanDerWaalsContact C-N 3.32Å; C112-N114 PolarHBondContact O-N 3.45Å; N114-Q136 WeakPolarHBondContact O-CB 3.3Å |
| 115 | K | 75.6 | Confident | 78.2 | Confident | 88 Ų | 88 | 42.8 Ų | 42.8 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.8 | 173.8 | -63.1 | -179.5 | 175.3 | -176.4 | 0 | 109.7 | T111 C112 K113 E133 F134 | T111-K115 CarbonylContact C-O 3.55Å; T111-K115 WeakPolarHBondContact CA-O 3.16Å; C112-K115 PolarHBondContact N-O 3.1Å; C112-K115 PolarHBondContact O-N 2.87Å; C112-K115 VanDerWaalsContact O-O 3.07Å; K113-K115 VanDerWaalsContact C-N 3.26Å; K113-K115 PolarHBondContact O-N 3.31Å; K115-E133 HydrophobicContact CB-CG 3.88Å; K115-E133 HydrophobicContact CD-CG 3.7Å; K115-E133 WeakPolarHBondContact CD-OE1 3.2Å; K115-E133 HydrophobicContact CG-CG 4.41Å; K115-E133 IonicContact NZ-OE1 2.81Å; K115-E133 PolarHBondContact NZ-OE1 2.82Å; K115-E133 IonicContact NZ-OE2 2.7Å; K115-E133 PolarHBondContact NZ-OE2 2.66Å; K115-F134 CarbonylContact C-O 3.59Å; K115-F134 WeakPolarHBondContact CA-O 3.36Å |
| 116 | H | 79.1 | Confident | 77.8 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.7 | 172 | -77.5 | -71.1 | 0 | 0 | 0 | 109.2 | D97 T111 E133 F134 P135 Q136 | D97-H116 IonicContact OD2-CE1 3.44Å; D97-H116 PolarHBondContact OD2-CE1 3.09Å; D97-H116 IonicContact OD2-ND1 2.65Å; D97-H116 PolarHBondContact OD2-ND1 2.79Å; T111-H116 PolarHBondContact OG1-CE1 3.39Å; T111-H116 PolarHBondContact OG1-ND1 2.88Å; H116-E133 CarbonylContact O-C 3.58Å; H116-E133 WeakPolarHBondContact O-CA 3.15Å; H116-F134 HydrophobicContact CB-CB 4.38Å; H116-F134 PolarHBondContact N-O 3.16Å; H116-F134 PolarHBondContact O-N 2.86Å; H116-P135 PolarHBondContact CD2-O 3.19Å; H116-Q136 VanDerWaalsContact CD2-CA 3.43Å; H116-Q136 WeakPolarHBondContact CD2-CA 3.49Å; H116-Q136 PolarHBondContact CD2-O 3.13Å; H116-Q136 VanDerWaalsContact CD2-O 3.24Å; H116-Q136 PolarHBondContact NE2-O 2.94Å |
| 117 | I | 79.7 | Confident | 77.6 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.5 | 178 | -58.3 | 173.4 | 0 | 0 | 0 | 107.9 | S109 H110 C112 K119 E133 | S109-I117 WeakPolarHBondContact CA-O 3.48Å; H110-I117 WeakPolarHBondContact CE1-CB 3.21Å; H110-I117 PolarHBondContact N-O 3.31Å; H110-I117 PolarHBondContact ND1-O 2.91Å; H110-I117 VanDerWaalsContact ND1-O 3.08Å; H110-I117 PolarHBondContact O-N 2.83Å; C112-I117 HydrophobicContact CB-CD1 3.73Å; I117-K119 HydrophobicContact CG2-CG 4.26Å; I117-E133 HydrophobicContact CG1-CG 4.26Å |
| 118 | V | 80.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.1 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | F98 I107 Y131 V132 F134 M140 | F98-V118 HydrophobicContact CZ-CG2 4.2Å; I107-V118 HydrophobicContact CG2-CG1 3.53Å; V118-Y131 WeakPolarHBondContact O-CB 3.23Å; V118-Y131 PolarHBondContact O-N 3.4Å; V118-V132 PolarHBondContact N-O 2.87Å; V118-V132 PolarHBondContact O-N 3.01Å; V118-F134 HydrophobicContact CG2-CD2 3.97Å; V118-F134 HydrophobicContact CG2-CE2 3.89Å; V118-M140 HydrophobicContact CG2-CE 4.49Å |
| 119 | K | 79.6 | Confident | 76.6 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 12% | 0.122 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.4 | 174.9 | -59.8 | -165.3 | 178.8 | -125.4 | 0 | 109.6 | I107 F108 H110 I117 V129 D130 | I107-K119 CarbonylContact C-O 3.55Å; I107-K119 WeakPolarHBondContact CA-O 3.45Å; F108-K119 HydrophobicContact CE1-CB 4.1Å; F108-K119 HydrophobicContact CE2-CB 4Å; F108-K119 HydrophobicContact CE2-CD 4.22Å; F108-K119 HydrophobicContact CE2-CG 4.42Å; F108-K119 HydrophobicContact CZ-CB 3.74Å; F108-K119 HydrophobicContact CZ-CD 4.15Å; F108-K119 HydrophobicContact CZ-CG 4.45Å; F108-K119 PolarHBondContact N-O 3.47Å; F108-K119 PolarHBondContact O-N 2.89Å; H110-K119 WeakPolarHBondContact CE1-CE 3.38Å; I117-K119 HydrophobicContact CG2-CG 4.26Å; K119-V129 WeakPolarHBondContact CA-O 3.41Å; K119-D130 WeakPolarHBondContact CD-OD1 3.33Å; K119-D130 WeakPolarHBondContact CE-OD1 3.01Å; K119-D130 VanDerWaalsContact CG-OD1 3.3Å; K119-D130 WeakPolarHBondContact CG-OD1 3.48Å; K119-D130 IonicContact NZ-OD1 3.76Å; K119-D130 PolarHBondContact NZ-OD1 2.89Å; K119-D130 IonicContact NZ-OD2 3.5Å; K119-D130 PolarHBondContact NZ-OD2 2.86Å |
| 120 | S | 79.6 | Confident | 75.8 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.5 | 164.9 | -176 | 0 | 0 | 0 | 0 | 109.5 | Y106 Y128 V129 | Y106-S120 CarbonylContact O-C 3.59Å; Y106-S120 WeakPolarHBondContact O-CA 3.12Å; S120-Y128 CarbonylContact O-C 3.58Å; S120-Y128 WeakPolarHBondContact O-CA 3.34Å; S120-V129 PolarHBondContact N-O 2.88Å; S120-V129 PolarHBondContact O-N 2.65Å |
| 121 | Y | 80 | Confident | 75.2 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.9 | 171.3 | 173.4 | -95.9 | 0 | 0 | 0 | 107.8 | L90 G105 Y106 R123 G126 Y128 | L90-Y121 HydrophobicContact CD1-CD2 4.41Å; L90-Y121 HydrophobicContact CD1-CE1 4.14Å; L90-Y121 HydrophobicContact CD1-CE2 3.81Å; L90-Y121 HydrophobicContact CD2-CD1 3.56Å; L90-Y121 HydrophobicContact CD2-CD2 4.24Å; L90-Y121 HydrophobicContact CD2-CE1 3.56Å; L90-Y121 HydrophobicContact CD2-CE2 4.26Å; L90-Y121 HydrophobicContact CD2-CG 3.88Å; G105-Y121 CarbonylContact C-O 3.57Å; G105-Y121 WeakPolarHBondContact CA-O 3.47Å; Y106-Y121 AromaticContact CD2-CD1 3.78Å; Y106-Y121 HydrophobicContact CD2-CD1 3.78Å; Y106-Y121 HydrophobicContact CD2-CE1 4.32Å; Y106-Y121 HydrophobicContact CE2-CD1 4.48Å; Y106-Y121 PolarHBondContact N-O 3.48Å; Y106-Y121 PolarHBondContact O-N 2.67Å; Y121-R123 HydrophobicContact CD1-CG 4.5Å; Y121-R123 HydrophobicContact CE1-CG 4.16Å; Y121-G126 WeakPolarHBondContact CE2-O 3.3Å; Y121-Y128 AromaticContact CD2-CD1 3.89Å; Y121-Y128 HydrophobicContact CD2-CD1 3.89Å; Y121-Y128 HydrophobicContact CD2-CD2 4.38Å; Y121-Y128 AromaticContact CD2-CE1 3.52Å; Y121-Y128 HydrophobicContact CD2-CE1 3.52Å; Y121-Y128 HydrophobicContact CD2-CE2 4.06Å; Y121-Y128 HydrophobicContact CD2-CG 4.3Å; Y121-Y128 AromaticContact CD2-CZ 3.62Å; Y121-Y128 HydrophobicContact CE2-CE1 4.43Å; Y121-Y128 HydrophobicContact CE2-CE2 4.33Å; Y121-Y128 HydrophobicContact CG-CD1 4.43Å; Y121-Y128 HydrophobicContact CG-CE1 4.06Å |
| 122 | D | 78.2 | Confident | 75.1 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.8 | 174.6 | 171 | 14.8 | 0 | 0 | 0 | 109.5 | S124 T125 G126 N127 | D122-S124 PolarHBondContact O-N 2.98Å; D122-S124 WeakPolarHBondContact OD1-CB 3.38Å; D122-S124 PolarHBondContact OD1-N 3.28Å; D122-S124 PolarHBondContact OD1-OG 2.92Å; D122-S124 PolarHBondContact OD2-OG 2.81Å; D122-T125 WeakPolarHBondContact CB-OG1 3.49Å; D122-T125 VanDerWaalsContact CG-OG1 3.3Å; D122-T125 WeakPolarHBondContact OD2-CB 3.42Å; D122-T125 VanDerWaalsContact OD2-CG2 3.24Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.3Å; D122-T125 PolarHBondContact OD2-OG1 3.41Å; D122-G126 VanDerWaalsContact O-CA 3.28Å; D122-G126 WeakPolarHBondContact O-CA 3.33Å; D122-G126 PolarHBondContact O-N 2.85Å; D122-N127 PolarHBondContact N-O 3.23Å |
| 123 | R | 75.7 | Confident | 75.2 | Confident | 83 Ų | 83 | 67 Ų | 67 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -28.5 | -179.7 | -72.1 | 170 | 73.8 | -169.3 | 4.6 | 111.7 | D62 T104 Y106 Y121 | D62-R123 IonicContact OD1-NH1 3.07Å; D62-R123 PolarHBondContact OD1-NH1 2.93Å; D62-R123 IonicContact OD2-CZ 3.9Å; D62-R123 IonicContact OD2-NH1 3.62Å; D62-R123 PolarHBondContact OD2-NH1 2.86Å; D62-R123 IonicContact OD2-NH2 3.93Å; D62-R123 PolarHBondContact OD2-NH2 2.89Å; T104-R123 WeakPolarHBondContact O-CB 3.34Å; T104-R123 PolarHBondContact O-N 2.76Å; Y106-R123 HydrophobicContact CD2-CG 4.45Å; Y106-R123 HydrophobicContact CE2-CG 3.96Å; Y121-R123 HydrophobicContact CD1-CG 4.5Å; Y121-R123 HydrophobicContact CE1-CG 4.16Å |
| 124 | S | 77.4 | Confident | 75.4 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 71% | 0.713 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -42.5 | -176.1 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | D122 | D122-S124 PolarHBondContact O-N 2.98Å; D122-S124 WeakPolarHBondContact OD1-CB 3.38Å; D122-S124 PolarHBondContact OD1-N 3.28Å; D122-S124 PolarHBondContact OD1-OG 2.92Å; D122-S124 PolarHBondContact OD2-OG 2.81Å |
| 125 | T | 77.9 | Confident | 75.6 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -19.6 | 179.7 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | D122 N127 | D122-T125 WeakPolarHBondContact CB-OG1 3.49Å; D122-T125 VanDerWaalsContact CG-OG1 3.3Å; D122-T125 WeakPolarHBondContact OD2-CB 3.42Å; D122-T125 VanDerWaalsContact OD2-CG2 3.24Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.3Å; D122-T125 PolarHBondContact OD2-OG1 3.41Å; T125-N127 PolarHBondContact O-N 3.46Å |
| 126 | G | 73.3 | Confident | 75.3 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | trans | 69.1 | 10.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y121 D122 | Y121-G126 WeakPolarHBondContact CE2-O 3.3Å; D122-G126 VanDerWaalsContact O-CA 3.28Å; D122-G126 WeakPolarHBondContact O-CA 3.33Å; D122-G126 PolarHBondContact O-N 2.85Å | ||
| 127 | N | 75.9 | Confident | 75.1 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | trans | -94.3 | 144.5 | -175.3 | -72.4 | -35.4 | 0 | 0 | 0 | 111.7 | D122 T125 | D122-N127 PolarHBondContact N-O 3.23Å; T125-N127 PolarHBondContact O-N 3.46Å | ||
| 128 | Y | 71.6 | Confident | 75 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 35% | 0.345 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.8 | 167.3 | -65.1 | -82.7 | 0 | 0 | 0 | 109.6 | L90 N91 F108 S120 Y121 | L90-Y128 WeakPolarHBondContact CD1-OH 3.43Å; N91-Y128 PolarHBondContact O-OH 3.06Å; F108-Y128 AromaticContact CE1-CD1 3.88Å; F108-Y128 HydrophobicContact CE1-CD1 3.88Å; F108-Y128 AromaticContact CE1-CE1 3.63Å; F108-Y128 HydrophobicContact CE1-CE1 3.63Å; F108-Y128 AromaticContact CZ-CD1 3.72Å; F108-Y128 HydrophobicContact CZ-CD1 3.72Å; F108-Y128 AromaticContact CZ-CE1 3.52Å; F108-Y128 HydrophobicContact CZ-CE1 3.52Å; S120-Y128 CarbonylContact O-C 3.58Å; S120-Y128 WeakPolarHBondContact O-CA 3.34Å; Y121-Y128 AromaticContact CD2-CD1 3.89Å; Y121-Y128 HydrophobicContact CD2-CD1 3.89Å; Y121-Y128 HydrophobicContact CD2-CD2 4.38Å; Y121-Y128 AromaticContact CD2-CE1 3.52Å; Y121-Y128 HydrophobicContact CD2-CE1 3.52Å; Y121-Y128 HydrophobicContact CD2-CE2 4.06Å; Y121-Y128 HydrophobicContact CD2-CG 4.3Å; Y121-Y128 AromaticContact CD2-CZ 3.62Å; Y121-Y128 HydrophobicContact CE2-CE1 4.43Å; Y121-Y128 HydrophobicContact CE2-CE2 4.33Å; Y121-Y128 HydrophobicContact CG-CD1 4.43Å; Y121-Y128 HydrophobicContact CG-CE1 4.06Å |
| 129 | V | 69.7 | Low | 74.9 | Confident | 81 Ų | 81 | 61 Ų | 61 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.5 | 168.2 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | K119 S120 Y131 | K119-V129 WeakPolarHBondContact CA-O 3.41Å; S120-V129 PolarHBondContact N-O 2.88Å; S120-V129 PolarHBondContact O-N 2.65Å; V129-Y131 HydrophobicContact CB-CD2 4.28Å; V129-Y131 HydrophobicContact CB-CE2 3.99Å; V129-Y131 HydrophobicContact CG1-CD2 4.13Å; V129-Y131 HydrophobicContact CG1-CE2 3.98Å; V129-Y131 WeakPolarHBondContact O-CD2 3.25Å |
| 130 | D | 64.2 | Low | 74.7 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.9 | 170.2 | -71.2 | -11.5 | 0 | 0 | 0 | 108.1 | K119 | K119-D130 WeakPolarHBondContact CD-OD1 3.33Å; K119-D130 WeakPolarHBondContact CE-OD1 3.01Å; K119-D130 VanDerWaalsContact CG-OD1 3.3Å; K119-D130 WeakPolarHBondContact CG-OD1 3.48Å; K119-D130 IonicContact NZ-OD1 3.76Å; K119-D130 PolarHBondContact NZ-OD1 2.89Å; K119-D130 IonicContact NZ-OD2 3.5Å; K119-D130 PolarHBondContact NZ-OD2 2.86Å |
| 131 | Y | 67.9 | Low | 74.5 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 26% | 0.263 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -65.6 | -174.1 | -94.9 | -117 | 0 | 0 | 0 | 110.9 | V118 V129 I161 | V118-Y131 WeakPolarHBondContact O-CB 3.23Å; V118-Y131 PolarHBondContact O-N 3.4Å; V129-Y131 HydrophobicContact CB-CD2 4.28Å; V129-Y131 HydrophobicContact CB-CE2 3.99Å; V129-Y131 HydrophobicContact CG1-CD2 4.13Å; V129-Y131 HydrophobicContact CG1-CE2 3.98Å; V129-Y131 WeakPolarHBondContact O-CD2 3.25Å; Y131-I161 HydrophobicContact CD1-CD1 4.48Å; Y131-I161 HydrophobicContact CD1-CG1 4.24Å; Y131-I161 HydrophobicContact CD1-CG2 4.22Å; Y131-I161 HydrophobicContact CE1-CB 4.42Å; Y131-I161 HydrophobicContact CE1-CD1 4.05Å; Y131-I161 HydrophobicContact CE1-CG1 4.06Å; Y131-I161 HydrophobicContact CE1-CG2 3.5Å |
| 132 | V | 73.7 | Confident | 74 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.6 | -168.4 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | V118 F134 Y159 | V118-V132 PolarHBondContact N-O 2.87Å; V118-V132 PolarHBondContact O-N 3.01Å; V132-F134 HydrophobicContact CB-CD2 4.28Å; V132-F134 HydrophobicContact CB-CE2 3.57Å; V132-F134 HydrophobicContact CB-CZ 3.83Å; V132-F134 HydrophobicContact CG1-CD1 4.24Å; V132-F134 HydrophobicContact CG1-CD2 4Å; V132-F134 HydrophobicContact CG1-CE1 3.73Å; V132-F134 HydrophobicContact CG1-CE2 3.44Å; V132-F134 VanDerWaalsContact CG1-CE2 3.44Å; V132-F134 HydrophobicContact CG1-CG 4.37Å; V132-F134 HydrophobicContact CG1-CZ 3.31Å; V132-F134 HydrophobicContact CG2-CE2 4.41Å; V132-F134 HydrophobicContact CG2-CZ 4.35Å; V132-Y159 HydrophobicContact CG1-CD2 4.24Å; V132-Y159 HydrophobicContact CG1-CE2 4.47Å; V132-Y159 HydrophobicContact CG1-CG 4.46Å; V132-Y159 HydrophobicContact CG2-CD1 3.35Å; V132-Y159 HydrophobicContact CG2-CD2 3.76Å; V132-Y159 HydrophobicContact CG2-CE1 3.17Å; V132-Y159 HydrophobicContact CG2-CE2 3.62Å; V132-Y159 HydrophobicContact CG2-CG 3.62Å |
| 133 | E | 75 | Confident | 73.3 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.6 | 171.4 | -170.1 | 179.6 | -135.7 | 0 | 0 | 109.8 | K115 H116 I117 | K115-E133 HydrophobicContact CB-CG 3.88Å; K115-E133 HydrophobicContact CD-CG 3.7Å; K115-E133 WeakPolarHBondContact CD-OE1 3.2Å; K115-E133 HydrophobicContact CG-CG 4.41Å; K115-E133 IonicContact NZ-OE1 2.81Å; K115-E133 PolarHBondContact NZ-OE1 2.82Å; K115-E133 IonicContact NZ-OE2 2.7Å; K115-E133 PolarHBondContact NZ-OE2 2.66Å; H116-E133 CarbonylContact O-C 3.58Å; H116-E133 WeakPolarHBondContact O-CA 3.15Å; I117-E133 HydrophobicContact CG1-CG 4.26Å |
| 134 | F | 75.9 | Confident | 72.8 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 156.6 | 177.9 | -63.9 | -74.2 | 0 | 0 | 0 | 110.2 | K115 H116 V118 V132 A138 M140 V148 C150 | K115-F134 CarbonylContact C-O 3.59Å; K115-F134 WeakPolarHBondContact CA-O 3.36Å; H116-F134 HydrophobicContact CB-CB 4.38Å; H116-F134 PolarHBondContact N-O 3.16Å; H116-F134 PolarHBondContact O-N 2.86Å; V118-F134 HydrophobicContact CG2-CD2 3.97Å; V118-F134 HydrophobicContact CG2-CE2 3.89Å; V132-F134 HydrophobicContact CB-CD2 4.28Å; V132-F134 HydrophobicContact CB-CE2 3.57Å; V132-F134 HydrophobicContact CB-CZ 3.83Å; V132-F134 HydrophobicContact CG1-CD1 4.24Å; V132-F134 HydrophobicContact CG1-CD2 4Å; V132-F134 HydrophobicContact CG1-CE1 3.73Å; V132-F134 HydrophobicContact CG1-CE2 3.44Å; V132-F134 VanDerWaalsContact CG1-CE2 3.44Å; V132-F134 HydrophobicContact CG1-CG 4.37Å; V132-F134 HydrophobicContact CG1-CZ 3.31Å; V132-F134 HydrophobicContact CG2-CE2 4.41Å; V132-F134 HydrophobicContact CG2-CZ 4.35Å; F134-A138 HydrophobicContact CB-CB 3.8Å; F134-M140 HydrophobicContact CB-SD 4.34Å; F134-M140 HydrophobicContact CD1-SD 4.28Å; F134-M140 HydrophobicContact CD2-CE 3.63Å; F134-M140 HydrophobicContact CD2-SD 3.55Å; F134-M140 VanDerWaalsContact CD2-SD 3.55Å; F134-M140 HydrophobicContact CE1-CE 4.23Å; F134-M140 HydrophobicContact CE1-SD 4.48Å; F134-M140 HydrophobicContact CE2-CE 3.2Å; F134-M140 HydrophobicContact CE2-SD 3.8Å; F134-M140 HydrophobicContact CG-CE 4.29Å; F134-M140 HydrophobicContact CG-SD 3.8Å; F134-M140 HydrophobicContact CZ-CE 3.54Å; F134-M140 HydrophobicContact CZ-SD 4.26Å; F134-V148 HydrophobicContact CZ-CG1 4.47Å; F134-C150 HydrophobicContact CD1-CB 4.28Å; F134-C150 WeakPolarHBondContact CD1-SG 3.23Å; F134-C150 HydrophobicContact CE1-CB 4.2Å; F134-C150 WeakPolarHBondContact CE1-SG 3.39Å |
| 135 | P | 75.8 | Confident | 72.2 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 157.7 | 173.2 | 29.3 | -34.9 | 0 | 0 | 0 | 111.3 | H116 N137 A138 V152 | H116-P135 PolarHBondContact CD2-O 3.19Å; P135-N137 WeakPolarHBondContact CB-OD1 3.47Å; P135-N137 PolarHBondContact O-N 3.11Å; P135-A138 HydrophobicContact CG-CB 4.2Å; P135-A138 WeakPolarHBondContact O-CB 2.97Å; P135-A138 PolarHBondContact O-N 3.45Å; P135-V152 HydrophobicContact CG-CB 4.37Å; P135-V152 HydrophobicContact CG-CG1 3.83Å; P135-V152 HydrophobicContact CG-CG2 3.55Å |
| 136 | Q | 71.2 | Confident | 72 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.7 | -174.6 | -174.3 | 171.7 | 10.7 | 0 | 0 | 115 | T111 N114 H116 A138 | T111-Q136 HydrophobicContact CG2-CG 4.31Å; N114-Q136 WeakPolarHBondContact O-CB 3.3Å; H116-Q136 VanDerWaalsContact CD2-CA 3.43Å; H116-Q136 WeakPolarHBondContact CD2-CA 3.49Å; H116-Q136 PolarHBondContact CD2-O 3.13Å; H116-Q136 VanDerWaalsContact CD2-O 3.24Å; H116-Q136 PolarHBondContact NE2-O 2.94Å; Q136-A138 VanDerWaalsContact C-N 3.32Å |
| 137 | N | 73.7 | Confident | 72.4 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.7 | 176.7 | 61.8 | -28.5 | 0 | 0 | 0 | 113 | P135 D153 | P135-N137 WeakPolarHBondContact CB-OD1 3.47Å; P135-N137 PolarHBondContact O-N 3.11Å; N137-D153 PolarHBondContact ND2-OD1 2.97Å |
| 138 | A | 77.4 | Confident | 72.6 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | trans | -71.6 | 129.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F134 P135 Q136 M140 I151 V152 | F134-A138 HydrophobicContact CB-CB 3.8Å; P135-A138 HydrophobicContact CG-CB 4.2Å; P135-A138 WeakPolarHBondContact O-CB 2.97Å; P135-A138 PolarHBondContact O-N 3.45Å; Q136-A138 VanDerWaalsContact C-N 3.32Å; A138-M140 HydrophobicContact CB-SD 4.26Å; A138-I151 VanDerWaalsContact CA-O 3.29Å; A138-I151 WeakPolarHBondContact CA-O 3.24Å; A138-V152 HydrophobicContact CB-CG2 3.84Å | ||
| 139 | I | 78.4 | Confident | 73.4 | Confident | 72 Ų | 72 | 46 Ų | 46 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.8 | 170.4 | -49.1 | 173.4 | 0 | 0 | 0 | 107.9 | C150 I151 T184 I186 | I139-C150 CarbonylContact O-C 3.57Å; I139-C150 WeakPolarHBondContact O-CA 3.48Å; I139-C150 WeakPolarHBondContact O-CB 3.28Å; I139-I151 HydrophobicContact CB-CD1 3.91Å; I139-I151 HydrophobicContact CB-CG1 3.64Å; I139-I151 HydrophobicContact CD1-CD1 3.98Å; I139-I151 HydrophobicContact CD1-CG1 4.44Å; I139-I151 HydrophobicContact CG1-CD1 4.35Å; I139-I151 HydrophobicContact CG1-CG1 4.3Å; I139-I151 HydrophobicContact CG2-CD1 4.5Å; I139-I151 PolarHBondContact N-O 3.3Å; I139-I151 PolarHBondContact O-N 2.81Å; I139-T184 WeakPolarHBondContact CD1-O 3.06Å; I139-I186 HydrophobicContact CB-CG2 4.45Å; I139-I186 HydrophobicContact CG2-CG2 4.01Å |
| 140 | M | 77.1 | Confident | 74.3 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.1 | -166.7 | -57.7 | -65.3 | -48 | 0 | 0 | 111.3 | F98 V118 F134 A138 V148 A149 C150 | F98-M140 HydrophobicContact CE1-CB 3.84Å; F98-M140 HydrophobicContact CE1-CG 3.67Å; F98-M140 HydrophobicContact CE2-CB 4.46Å; F98-M140 HydrophobicContact CZ-CB 3.64Å; F98-M140 HydrophobicContact CZ-CG 3.62Å; V118-M140 HydrophobicContact CG2-CE 4.49Å; F134-M140 HydrophobicContact CB-SD 4.34Å; F134-M140 HydrophobicContact CD1-SD 4.28Å; F134-M140 HydrophobicContact CD2-CE 3.63Å; F134-M140 HydrophobicContact CD2-SD 3.55Å; F134-M140 VanDerWaalsContact CD2-SD 3.55Å; F134-M140 HydrophobicContact CE1-CE 4.23Å; F134-M140 HydrophobicContact CE1-SD 4.48Å; F134-M140 HydrophobicContact CE2-CE 3.2Å; F134-M140 HydrophobicContact CE2-SD 3.8Å; F134-M140 HydrophobicContact CG-CE 4.29Å; F134-M140 HydrophobicContact CG-SD 3.8Å; F134-M140 HydrophobicContact CZ-CE 3.54Å; F134-M140 HydrophobicContact CZ-SD 4.26Å; A138-M140 HydrophobicContact CB-SD 4.26Å; M140-V148 HydrophobicContact CE-CB 4.49Å; M140-V148 HydrophobicContact CE-CG1 3.14Å; M140-A149 WeakPolarHBondContact CA-O 3.43Å; M140-C150 HydrophobicContact CE-CB 3.61Å; M140-C150 HydrophobicContact SD-CB 3.14Å; M140-C150 WeakPolarHBondContact SD-CB 3.38Å |
| 141 | A | 75.3 | Confident | 75.5 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A149 I186 A188 | A141-A149 PolarHBondContact N-O 2.87Å; A141-A149 PolarHBondContact O-N 2.88Å; A141-I186 HydrophobicContact CB-CB 4.27Å; A141-I186 HydrophobicContact CB-CD1 3.91Å; A141-I186 HydrophobicContact CB-CG1 3.71Å; A141-I186 HydrophobicContact CB-CG2 3.85Å; A141-A188 HydrophobicContact CB-CB 4.14Å |
| 142 | Y | 68 | Low | 76.4 | Confident | 38 Ų | 38 | 35.1 Ų | 35.1 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.1 | -175.5 | 179.5 | -106.6 | 0 | 0 | 0 | 110.7 | F100 T102 I107 D144 V148 I161 | F100-Y142 HydrophobicContact CB-CD1 3.89Å; F100-Y142 HydrophobicContact CB-CE1 4.42Å; F100-Y142 HydrophobicContact CD2-CD1 4.21Å; F100-Y142 HydrophobicContact CD2-CG 4.03Å; F100-Y142 HydrophobicContact CG-CD1 4.04Å; F100-Y142 HydrophobicContact CG-CG 4.32Å; T102-Y142 HydrophobicContact CG2-CE1 3.89Å; I107-Y142 HydrophobicContact CD1-CD2 4.3Å; I107-Y142 HydrophobicContact CD1-CE1 3.97Å; I107-Y142 HydrophobicContact CD1-CE2 3.39Å; I107-Y142 WeakPolarHBondContact CD1-OH 3.22Å; Y142-D144 VanDerWaalsContact CE1-CA 3.45Å; Y142-D144 VanDerWaalsContact CE1-N 3.33Å; Y142-D144 VanDerWaalsContact CE2-O 3.32Å; Y142-D144 WeakPolarHBondContact CE2-O 3.33Å; Y142-D144 VanDerWaalsContact CZ-C 3.44Å; Y142-D144 VanDerWaalsContact CZ-CA 3.48Å; Y142-D144 WeakPolarHBondContact OH-CA 3.36Å; Y142-D144 PolarHBondContact OH-O 2.89Å; Y142-V148 HydrophobicContact CD2-CG2 3.7Å; Y142-V148 HydrophobicContact CE2-CG2 3.9Å; Y142-I161 HydrophobicContact CE2-CD1 4.28Å |
| 143 | K | 63.7 | Low | 76.9 | Confident | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 91.5 | 170.7 | -170.9 | -155.4 | 178.8 | -169.4 | 0 | 109.9 | F147 A188 K191 D192 | K143-F147 HydrophobicContact CB-CD1 4.5Å; K143-F147 HydrophobicContact CB-CD2 4.3Å; K143-F147 HydrophobicContact CB-CE1 4.12Å; K143-F147 HydrophobicContact CB-CE2 3.89Å; K143-F147 HydrophobicContact CB-CZ 3.8Å; K143-F147 HydrophobicContact CD-CD1 3.98Å; K143-F147 HydrophobicContact CD-CE1 3.14Å; K143-F147 HydrophobicContact CD-CE2 4.3Å; K143-F147 HydrophobicContact CD-CZ 3.35Å; K143-F147 HydrophobicContact CG-CE1 4.21Å; K143-F147 HydrophobicContact CG-CZ 4.16Å; K143-F147 PolarHBondContact N-O 3.14Å; K143-F147 PolarHBondContact O-N 3.13Å; K143-F147 VanDerWaalsContact O-O 3.13Å; K143-A188 HydrophobicContact CB-CB 3.99Å; K143-K191 WeakPolarHBondContact CE-O 3.15Å; K143-K191 PolarHBondContact NZ-O 2.84Å; K143-D192 WeakPolarHBondContact CE-O 3.07Å; K143-D192 VanDerWaalsContact NZ-C 3.28Å; K143-D192 PolarHBondContact NZ-O 2.79Å |
| 144 | D | 65.5 | Low | 77.4 | Confident | 84 Ų | 84 | 34.2 Ų | 34.2 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 31.1 | -155.3 | 172.8 | -149.2 | -7.8 | 0 | 0 | 0 | 115.5 | Y142 D146 | Y142-D144 VanDerWaalsContact CE1-CA 3.45Å; Y142-D144 VanDerWaalsContact CE1-N 3.33Å; Y142-D144 VanDerWaalsContact CE2-O 3.32Å; Y142-D144 WeakPolarHBondContact CE2-O 3.33Å; Y142-D144 VanDerWaalsContact CZ-C 3.44Å; Y142-D144 VanDerWaalsContact CZ-CA 3.48Å; Y142-D144 WeakPolarHBondContact OH-CA 3.36Å; Y142-D144 PolarHBondContact OH-O 2.89Å; D144-D146 PolarHBondContact O-N 3.37Å |
| 145 | S | 64.3 | Low | 78 | Confident | 72 Ų | 72 | 36.7 Ų | 36.7 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -2.7 | -172.2 | 55 | 0 | 0 | 0 | 0 | 116.2 | ||
| 146 | D | 74.8 | Confident | 78.6 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -55 | -167.6 | -64.4 | -23.3 | 0 | 0 | 0 | 113.2 | D144 I161 | D144-D146 PolarHBondContact O-N 3.37Å; D146-I161 PolarHBondContact O-N 3.15Å |
| 147 | F | 80.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 158.7 | -177.1 | 68.5 | -96 | 0 | 0 | 0 | 114.2 | K143 A149 V158 Y159 W160 C193 I195 | K143-F147 HydrophobicContact CB-CD1 4.5Å; K143-F147 HydrophobicContact CB-CD2 4.3Å; K143-F147 HydrophobicContact CB-CE1 4.12Å; K143-F147 HydrophobicContact CB-CE2 3.89Å; K143-F147 HydrophobicContact CB-CZ 3.8Å; K143-F147 HydrophobicContact CD-CD1 3.98Å; K143-F147 HydrophobicContact CD-CE1 3.14Å; K143-F147 HydrophobicContact CD-CE2 4.3Å; K143-F147 HydrophobicContact CD-CZ 3.35Å; K143-F147 HydrophobicContact CG-CE1 4.21Å; K143-F147 HydrophobicContact CG-CZ 4.16Å; K143-F147 PolarHBondContact N-O 3.14Å; K143-F147 PolarHBondContact O-N 3.13Å; K143-F147 VanDerWaalsContact O-O 3.13Å; F147-A149 HydrophobicContact CE2-CB 4.45Å; F147-V158 HydrophobicContact CB-CG1 4.05Å; F147-V158 HydrophobicContact CD2-CG1 3.68Å; F147-V158 HydrophobicContact CE2-CG1 4.35Å; F147-V158 HydrophobicContact CG-CG1 3.99Å; F147-Y159 CarbonylContact C-O 3.54Å; F147-Y159 VanDerWaalsContact CA-O 3.25Å; F147-Y159 WeakPolarHBondContact CA-O 3.1Å; F147-Y159 VanDerWaalsContact CB-O 3.29Å; F147-Y159 WeakPolarHBondContact CB-O 3.49Å; F147-W160 HydrophobicContact CB-CD2 4.32Å; F147-W160 HydrophobicContact CB-CE3 4.17Å; F147-W160 HydrophobicContact CB-CZ3 4.38Å; F147-W160 HydrophobicContact CD1-CH2 4.02Å; F147-W160 AromaticContact CD1-CZ3 4Å; F147-W160 HydrophobicContact CD1-CZ3 4Å; F147-C193 HydrophobicContact CE1-CB 4.25Å; F147-C193 WeakPolarHBondContact CE1-SG 3.1Å; F147-I195 HydrophobicContact CE2-CD1 3.82Å; F147-I195 HydrophobicContact CE2-CG1 4.01Å; F147-I195 HydrophobicContact CZ-CD1 4.45Å; F147-I195 HydrophobicContact CZ-CG1 4.36Å |
| 148 | V | 81.6 | Confident | 80.2 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.6 | 173 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | F134 M140 Y142 Y159 I161 | F134-V148 HydrophobicContact CZ-CG1 4.47Å; M140-V148 HydrophobicContact CE-CB 4.49Å; M140-V148 HydrophobicContact CE-CG1 3.14Å; Y142-V148 HydrophobicContact CD2-CG2 3.7Å; Y142-V148 HydrophobicContact CE2-CG2 3.9Å; V148-Y159 PolarHBondContact N-O 2.89Å; V148-Y159 PolarHBondContact O-N 3.49Å; V148-I161 HydrophobicContact CG2-CD1 3.9Å; V148-I161 HydrophobicContact CG2-CG1 4.17Å |
| 149 | A | 87.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M140 A141 F147 L156 I157 V158 I186 I195 | M140-A149 WeakPolarHBondContact CA-O 3.43Å; A141-A149 PolarHBondContact N-O 2.87Å; A141-A149 PolarHBondContact O-N 2.88Å; F147-A149 HydrophobicContact CE2-CB 4.45Å; A149-L156 HydrophobicContact CB-CD1 4.4Å; A149-I157 CarbonylContact C-O 3.54Å; A149-I157 WeakPolarHBondContact CA-O 3.46Å; A149-V158 HydrophobicContact CB-CG2 4.43Å; A149-I186 HydrophobicContact CB-CD1 3.55Å; A149-I195 HydrophobicContact CB-CD1 3.61Å; A149-I195 HydrophobicContact CB-CG1 4.29Å |
| 150 | C | 88.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.8 | 172.4 | 79 | 0 | 0 | 0 | 0 | 112.3 | F134 I139 M140 L156 I157 | F134-C150 HydrophobicContact CD1-CB 4.28Å; F134-C150 WeakPolarHBondContact CD1-SG 3.23Å; F134-C150 HydrophobicContact CE1-CB 4.2Å; F134-C150 WeakPolarHBondContact CE1-SG 3.39Å; I139-C150 CarbonylContact O-C 3.57Å; I139-C150 WeakPolarHBondContact O-CA 3.48Å; I139-C150 WeakPolarHBondContact O-CB 3.28Å; M140-C150 HydrophobicContact CE-CB 3.61Å; M140-C150 HydrophobicContact SD-CB 3.14Å; M140-C150 WeakPolarHBondContact SD-CB 3.38Å; C150-L156 CarbonylContact O-C 3.56Å; C150-I157 PolarHBondContact N-O 3.03Å; C150-I157 PolarHBondContact O-N 2.94Å |
| 151 | I | 90.2 | Very high | 80.8 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.4 | 172 | 50 | 173.9 | 0 | 0 | 0 | 109.3 | A138 I139 I155 L156 Y183 I186 T197 | A138-I151 VanDerWaalsContact CA-O 3.29Å; A138-I151 WeakPolarHBondContact CA-O 3.24Å; I139-I151 HydrophobicContact CB-CD1 3.91Å; I139-I151 HydrophobicContact CB-CG1 3.64Å; I139-I151 HydrophobicContact CD1-CD1 3.98Å; I139-I151 HydrophobicContact CD1-CG1 4.44Å; I139-I151 HydrophobicContact CG1-CD1 4.35Å; I139-I151 HydrophobicContact CG1-CG1 4.3Å; I139-I151 HydrophobicContact CG2-CD1 4.5Å; I139-I151 PolarHBondContact N-O 3.3Å; I139-I151 PolarHBondContact O-N 2.81Å; I151-I155 WeakPolarHBondContact CA-O 3.25Å; I151-L156 HydrophobicContact CG2-CB 4.39Å; I151-L156 HydrophobicContact CG2-CD1 4.05Å; I151-Y183 HydrophobicContact CB-CD2 4.24Å; I151-Y183 HydrophobicContact CB-CG 4.48Å; I151-Y183 VanDerWaalsContact CD1-CB 3.48Å; I151-Y183 HydrophobicContact CG2-CD2 3.8Å; I151-Y183 HydrophobicContact CG2-CG 4.06Å; I151-I186 HydrophobicContact CD1-CB 4.09Å; I151-I186 HydrophobicContact CD1-CG2 4.19Å; I151-I186 HydrophobicContact CG1-CB 4.26Å; I151-I186 HydrophobicContact CG1-CG2 4.09Å; I151-I186 HydrophobicContact CG2-CB 4.33Å; I151-I186 HydrophobicContact CG2-CD1 4.18Å; I151-T197 HydrophobicContact CG2-CG2 3.8Å |
| 152 | V | 86.5 | Confident | 80.9 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 111.7 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 106.4 | P135 A138 S154 I155 I157 | P135-V152 HydrophobicContact CG-CB 4.37Å; P135-V152 HydrophobicContact CG-CG1 3.83Å; P135-V152 HydrophobicContact CG-CG2 3.55Å; A138-V152 HydrophobicContact CB-CG2 3.84Å; V152-S154 PolarHBondContact O-N 2.76Å; V152-S154 VanDerWaalsContact O-N 3.12Å; V152-I155 PolarHBondContact N-O 3Å; V152-I155 WeakPolarHBondContact O-CB 3.39Å; V152-I155 PolarHBondContact O-N 3.28Å; V152-I157 HydrophobicContact CG2-CD1 4.19Å |
| 153 | D | 84.4 | Confident | 81.5 | Confident | 86 Ų | 86 | 27.5 Ų | 27.5 | 46% | 0.46 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -113.5 | -174 | -49.9 | -41.6 | 0 | 0 | 0 | 111.1 | N137 Y183 | N137-D153 PolarHBondContact ND2-OD1 2.97Å; D153-Y183 PolarHBondContact O-N 3.04Å |
| 154 | S | 85 | Confident | 82.3 | Confident | 18 Ų | 18 | 32.5 Ų | 32.5 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 15 | 178.4 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | V152 N182 Y183 | V152-S154 PolarHBondContact O-N 2.76Å; V152-S154 VanDerWaalsContact O-N 3.12Å; S154-N182 PolarHBondContact N-OD1 3.35Å; S154-N182 PolarHBondContact OG-OD1 2.68Å; S154-Y183 VanDerWaalsContact C-CE2 3.48Å; S154-Y183 VanDerWaalsContact O-CE2 3.3Å; S154-Y183 WeakPolarHBondContact O-CE2 3.27Å |
| 155 | I | 88.1 | Confident | 83.3 | Confident | 65 Ų | 65 | 29.1 Ų | 29.1 | 33% | 0.333 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.8 | -173.7 | -53.8 | 176.3 | 0 | 0 | 0 | 110 | I151 V152 I157 R168 | I151-I155 WeakPolarHBondContact CA-O 3.25Å; V152-I155 PolarHBondContact N-O 3Å; V152-I155 WeakPolarHBondContact O-CB 3.39Å; V152-I155 PolarHBondContact O-N 3.28Å; I155-I157 HydrophobicContact CG2-CG1 3.95Å; I155-R168 HydrophobicContact CG2-CB 4.31Å |
| 156 | L | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.5 | 166.9 | 169.8 | 67.7 | 0 | 0 | 0 | 109 | A149 C150 I151 V158 R168 Y169 I186 I195 T197 W207 | A149-L156 HydrophobicContact CB-CD1 4.4Å; C150-L156 CarbonylContact O-C 3.56Å; I151-L156 HydrophobicContact CG2-CB 4.39Å; I151-L156 HydrophobicContact CG2-CD1 4.05Å; L156-V158 HydrophobicContact CD1-CG2 4.45Å; L156-V158 HydrophobicContact CG-CG2 4.31Å; L156-R168 CarbonylContact O-C 3.2Å; L156-Y169 HydrophobicContact CD2-CD2 4.13Å; L156-Y169 HydrophobicContact CG-CD2 4.14Å; L156-Y169 PolarHBondContact N-O 3.29Å; L156-Y169 PolarHBondContact O-N 2.93Å; L156-I186 HydrophobicContact CD1-CD1 3.65Å; L156-I195 HydrophobicContact CD1-CG2 4.1Å; L156-I195 HydrophobicContact CD2-CD1 4.44Å; L156-I195 HydrophobicContact CD2-CG2 4.22Å; L156-T197 HydrophobicContact CD1-CG2 4.13Å; L156-T197 HydrophobicContact CD2-CG2 4.37Å; L156-W207 HydrophobicContact CD2-CB 4.34Å; L156-W207 HydrophobicContact CD2-CD2 3.73Å; L156-W207 HydrophobicContact CD2-CE3 4.4Å; L156-W207 HydrophobicContact CD2-CG 3.66Å |
| 157 | I | 88.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 26.4 Ų | 26.4 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.1 | 177.6 | -50.8 | 178.5 | 0 | 0 | 0 | 108 | A149 C150 V152 I155 V167 R168 | A149-I157 CarbonylContact C-O 3.54Å; A149-I157 WeakPolarHBondContact CA-O 3.46Å; C150-I157 PolarHBondContact N-O 3.03Å; C150-I157 PolarHBondContact O-N 2.94Å; V152-I157 HydrophobicContact CG2-CD1 4.19Å; I155-I157 HydrophobicContact CG2-CG1 3.95Å; I157-V167 CarbonylContact C-O 3.6Å; I157-V167 WeakPolarHBondContact CA-O 3.5Å; I157-R168 HydrophobicContact CG1-CG 4.2Å; I157-R168 HydrophobicContact CG2-CG 4.38Å |
| 158 | V | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114.4 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | F147 A149 L156 W160 S166 V167 Y169 I195 | F147-V158 HydrophobicContact CB-CG1 4.05Å; F147-V158 HydrophobicContact CD2-CG1 3.68Å; F147-V158 HydrophobicContact CE2-CG1 4.35Å; F147-V158 HydrophobicContact CG-CG1 3.99Å; A149-V158 HydrophobicContact CB-CG2 4.43Å; L156-V158 HydrophobicContact CD1-CG2 4.45Å; L156-V158 HydrophobicContact CG-CG2 4.31Å; V158-W160 HydrophobicContact CG1-CZ2 4.15Å; V158-S166 CarbonylContact O-C 3.54Å; V158-S166 WeakPolarHBondContact O-CA 3.39Å; V158-V167 PolarHBondContact N-O 2.9Å; V158-V167 PolarHBondContact O-N 2.91Å; V158-Y169 HydrophobicContact CB-CE2 4.1Å; V158-Y169 HydrophobicContact CG2-CD2 4.15Å; V158-Y169 HydrophobicContact CG2-CE2 3.68Å; V158-I195 HydrophobicContact CG2-CD1 3.41Å; V158-I195 VanDerWaalsContact CG2-CD1 3.41Å |
| 159 | Y | 85 | Confident | 85.4 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.7 | 176 | 178.7 | -90.9 | 0 | 0 | 0 | 110.7 | V132 F147 V148 I161 N164 | V132-Y159 HydrophobicContact CG1-CD2 4.24Å; V132-Y159 HydrophobicContact CG1-CE2 4.47Å; V132-Y159 HydrophobicContact CG1-CG 4.46Å; V132-Y159 HydrophobicContact CG2-CD1 3.35Å; V132-Y159 HydrophobicContact CG2-CD2 3.76Å; V132-Y159 HydrophobicContact CG2-CE1 3.17Å; V132-Y159 HydrophobicContact CG2-CE2 3.62Å; V132-Y159 HydrophobicContact CG2-CG 3.62Å; F147-Y159 CarbonylContact C-O 3.54Å; F147-Y159 VanDerWaalsContact CA-O 3.25Å; F147-Y159 WeakPolarHBondContact CA-O 3.1Å; F147-Y159 VanDerWaalsContact CB-O 3.29Å; F147-Y159 WeakPolarHBondContact CB-O 3.49Å; V148-Y159 PolarHBondContact N-O 2.89Å; V148-Y159 PolarHBondContact O-N 3.49Å; Y159-I161 HydrophobicContact CD1-CG1 4.2Å; Y159-I161 HydrophobicContact CE1-CG1 4.19Å; Y159-N164 WeakPolarHBondContact OH-CA 3.17Å; Y159-N164 PolarHBondContact OH-OD1 2.96Å |
| 160 | W | 84.2 | Confident | 85.1 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 111.5 | 179.9 | -66.9 | 86.1 | 0 | 0 | 0 | 110.1 | F147 V158 L163 N164 V165 C211 P261 | F147-W160 HydrophobicContact CB-CD2 4.32Å; F147-W160 HydrophobicContact CB-CE3 4.17Å; F147-W160 HydrophobicContact CB-CZ3 4.38Å; F147-W160 HydrophobicContact CD1-CH2 4.02Å; F147-W160 AromaticContact CD1-CZ3 4Å; F147-W160 HydrophobicContact CD1-CZ3 4Å; V158-W160 HydrophobicContact CG1-CZ2 4.15Å; W160-L163 HydrophobicContact CB-CB 4.18Å; W160-L163 HydrophobicContact CB-CD1 4.33Å; W160-L163 PolarHBondContact O-N 3.04Å; W160-N164 PolarHBondContact O-N 2.97Å; W160-V165 HydrophobicContact CB-CG2 4.19Å; W160-V165 PolarHBondContact N-O 3.33Å; W160-V165 PolarHBondContact O-N 2.75Å; W160-C211 HydrophobicContact CH2-CB 3.69Å; W160-C211 HydrophobicContact CZ2-CB 4.47Å; W160-C211 HydrophobicContact CZ3-CB 4.35Å; W160-P261 HydrophobicContact CD2-CB 3.99Å; W160-P261 HydrophobicContact CD2-CG 3.77Å; W160-P261 HydrophobicContact CE3-CG 4.43Å; W160-P261 HydrophobicContact CG-CB 4.23Å; W160-P261 HydrophobicContact CG-CG 3.76Å; W160-P261 HydrophobicContact CZ2-CB 3.92Å |
| 161 | I | 77 | Confident | 84.3 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -64.2 | -52.1 | -169.7 | -66 | 165.3 | 0 | 0 | 0 | 110.8 | Y131 Y142 D146 V148 Y159 L163 N164 | Y131-I161 HydrophobicContact CD1-CD1 4.48Å; Y131-I161 HydrophobicContact CD1-CG1 4.24Å; Y131-I161 HydrophobicContact CD1-CG2 4.22Å; Y131-I161 HydrophobicContact CE1-CB 4.42Å; Y131-I161 HydrophobicContact CE1-CD1 4.05Å; Y131-I161 HydrophobicContact CE1-CG1 4.06Å; Y131-I161 HydrophobicContact CE1-CG2 3.5Å; Y142-I161 HydrophobicContact CE2-CD1 4.28Å; D146-I161 PolarHBondContact O-N 3.15Å; V148-I161 HydrophobicContact CG2-CD1 3.9Å; V148-I161 HydrophobicContact CG2-CG1 4.17Å; Y159-I161 HydrophobicContact CD1-CG1 4.2Å; Y159-I161 HydrophobicContact CE1-CG1 4.19Å; I161-L163 PolarHBondContact O-N 3.41Å; I161-L163 VanDerWaalsContact O-N 3.13Å; I161-N164 PolarHBondContact O-N 2.86Å |
| 162 | N | 78.1 | Confident | 83.2 | Confident | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -65 | -20.9 | -175.6 | -65.7 | -30.9 | 0 | 0 | 0 | 113.8 | ||
| 163 | L | 79.7 | Confident | 81.9 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -102.2 | -17 | -179.2 | -69.7 | 174.8 | 0 | 0 | 0 | 113.1 | W160 I161 V165 A246 I247 H250 F257 P261 | W160-L163 HydrophobicContact CB-CB 4.18Å; W160-L163 HydrophobicContact CB-CD1 4.33Å; W160-L163 PolarHBondContact O-N 3.04Å; I161-L163 PolarHBondContact O-N 3.41Å; I161-L163 VanDerWaalsContact O-N 3.13Å; L163-V165 VanDerWaalsContact C-N 3.3Å; L163-V165 HydrophobicContact CB-CG2 3.61Å; L163-V165 HydrophobicContact CD1-CG2 4.22Å; L163-V165 PolarHBondContact O-N 2.86Å; L163-A246 HydrophobicContact CD2-CB 4.37Å; L163-I247 HydrophobicContact CD1-CD1 4.27Å; L163-I247 HydrophobicContact CD1-CG1 3.63Å; L163-I247 HydrophobicContact CD2-CG1 4.05Å; L163-H250 HydrophobicContact CD2-CB 4.07Å; L163-F257 HydrophobicContact CD1-CE1 4.36Å; L163-F257 HydrophobicContact CD2-CE1 3.58Å; L163-F257 HydrophobicContact CD2-CZ 3.65Å; L163-F257 HydrophobicContact CG-CE1 4.02Å; L163-P261 HydrophobicContact CD1-CG 3.57Å |
| 164 | N | 81.2 | Confident | 80.7 | Confident | 117 Ų | 117 | 49.3 Ų | 49.3 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 48 | -170.4 | -169.9 | 12.9 | 0 | 0 | 0 | 112.3 | Y159 W160 I161 | Y159-N164 WeakPolarHBondContact OH-CA 3.17Å; Y159-N164 PolarHBondContact OH-OD1 2.96Å; W160-N164 PolarHBondContact O-N 2.97Å; I161-N164 PolarHBondContact O-N 2.86Å |
| 165 | V | 85.4 | Confident | 79.3 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.8 | 178.3 | -62.7 | 0 | 0 | 0 | 0 | 111 | W160 L163 V243 A246 | W160-V165 HydrophobicContact CB-CG2 4.19Å; W160-V165 PolarHBondContact N-O 3.33Å; W160-V165 PolarHBondContact O-N 2.75Å; L163-V165 VanDerWaalsContact C-N 3.3Å; L163-V165 HydrophobicContact CB-CG2 3.61Å; L163-V165 HydrophobicContact CD1-CG2 4.22Å; L163-V165 PolarHBondContact O-N 2.86Å; V165-V243 HydrophobicContact CB-CG2 4.22Å; V165-V243 HydrophobicContact CG2-CB 4.39Å; V165-V243 HydrophobicContact CG2-CG1 4.05Å; V165-V243 HydrophobicContact CG2-CG2 4.02Å; V165-A246 HydrophobicContact CG1-CB 3.65Å |
| 166 | S | 85.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142.5 | 172.6 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | V158 H242 | V158-S166 CarbonylContact O-C 3.54Å; V158-S166 WeakPolarHBondContact O-CA 3.39Å; S166-H242 PolarHBondContact O-NE2 2.84Å |
| 167 | V | 87 | Confident | 76 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.8 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | I157 V158 Y169 F240 V243 P261 P264 | I157-V167 CarbonylContact C-O 3.6Å; I157-V167 WeakPolarHBondContact CA-O 3.5Å; V158-V167 PolarHBondContact N-O 2.9Å; V158-V167 PolarHBondContact O-N 2.91Å; V167-Y169 HydrophobicContact CB-CE2 4.1Å; V167-Y169 HydrophobicContact CG1-CE1 3.98Å; V167-Y169 HydrophobicContact CG1-CE2 3.88Å; V167-Y169 WeakPolarHBondContact CG1-OH 3.3Å; V167-F240 HydrophobicContact CG1-CD2 4.33Å; V167-F240 HydrophobicContact CG1-CE2 4.04Å; V167-F240 HydrophobicContact CG2-CD2 4.45Å; V167-F240 HydrophobicContact CG2-CE2 3.76Å; V167-V243 HydrophobicContact CG2-CG2 4.12Å; V167-P261 HydrophobicContact CG2-CB 4.14Å; V167-P264 HydrophobicContact CG1-CG 3.85Å |
| 168 | R | 86.9 | Confident | 74.9 | Confident | 170 Ų | 170 | 70.1 Ų | 70.1 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.4 | -179.1 | -58.8 | -174.4 | -179 | 179.5 | 0.7 | 110.2 | I155 L156 I157 | I155-R168 HydrophobicContact CG2-CB 4.31Å; L156-R168 CarbonylContact O-C 3.2Å; I157-R168 HydrophobicContact CG1-CG 4.2Å; I157-R168 HydrophobicContact CG2-CG 4.38Å |
| 169 | Y | 86.7 | Confident | 74 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 115.9 | 177.3 | -53.7 | -81.6 | 0 | 0 | 0 | 108.4 | L156 V158 V167 L210 P264 V267 | L156-Y169 HydrophobicContact CD2-CD2 4.13Å; L156-Y169 HydrophobicContact CG-CD2 4.14Å; L156-Y169 PolarHBondContact N-O 3.29Å; L156-Y169 PolarHBondContact O-N 2.93Å; V158-Y169 HydrophobicContact CB-CE2 4.1Å; V158-Y169 HydrophobicContact CG2-CD2 4.15Å; V158-Y169 HydrophobicContact CG2-CE2 3.68Å; V167-Y169 HydrophobicContact CB-CE2 4.1Å; V167-Y169 HydrophobicContact CG1-CE1 3.98Å; V167-Y169 HydrophobicContact CG1-CE2 3.88Å; V167-Y169 WeakPolarHBondContact CG1-OH 3.3Å; Y169-L210 HydrophobicContact CE1-CD2 4.26Å; Y169-L210 HydrophobicContact CE2-CD2 3.92Å; Y169-P264 HydrophobicContact CD1-CB 4.34Å; Y169-P264 HydrophobicContact CE1-CB 4.13Å; Y169-P264 HydrophobicContact CE1-CG 4.42Å; Y169-V267 HydrophobicContact CD1-CB 4.46Å; Y169-V267 HydrophobicContact CD1-CG1 4.32Å; Y169-V267 HydrophobicContact CE1-CB 3.94Å; Y169-V267 HydrophobicContact CE1-CG1 4.02Å; Y169-V267 HydrophobicContact CE1-CG2 3.54Å |
| 170 | S | 80.2 | Confident | 73.4 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 60% | 0.601 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.8 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 171 | I | 72.9 | Confident | 73.1 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | trans | -96.4 | 135.5 | 170.8 | -60.2 | -170.9 | 0 | 0 | 0 | 108.6 | T173 Y183 F205 W207 | I171-T173 PolarHBondContact O-N 3.07Å; I171-T173 VanDerWaalsContact O-N 3.09Å; I171-Y183 WeakPolarHBondContact CD1-OH 3.43Å; I171-Y183 VanDerWaalsContact CG1-OH 3.25Å; I171-Y183 WeakPolarHBondContact CG1-OH 3.41Å; I171-F205 HydrophobicContact CD1-CD1 4.44Å; I171-F205 HydrophobicContact CD1-CD2 3.99Å; I171-F205 HydrophobicContact CD1-CE1 4.24Å; I171-F205 HydrophobicContact CD1-CE2 3.76Å; I171-F205 HydrophobicContact CD1-CG 4.31Å; I171-F205 HydrophobicContact CD1-CZ 3.89Å; I171-W207 HydrophobicContact CD1-CH2 4.15Å; I171-W207 HydrophobicContact CD1-CZ2 4.08Å; I171-W207 HydrophobicContact CG1-CH2 3.9Å; I171-W207 HydrophobicContact CG1-CZ2 4.24Å | ||
| 172 | P | 66.3 | Low | 73.6 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | trans | -58.1 | 115.4 | 171 | -21.5 | 32 | 0 | 0 | 0 | 110.5 | ||||
| 173 | T | 60.3 | Low | 74.1 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | trans | -96.4 | 121.5 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | I171 K181 | I171-T173 PolarHBondContact O-N 3.07Å; I171-T173 VanDerWaalsContact O-N 3.09Å; T173-K181 HydrophobicContact CG2-CD 4.47Å | ||
| 174 | N | 59.2 | Low | 74.6 | Confident | 128 Ų | 128 | 78 Ų | 78 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | trans | -70.9 | 139.9 | 161.1 | -74.3 | -11.5 | 0 | 0 | 0 | 109.1 | K176 | N174-K176 PolarHBondContact O-N 2.93Š| ||
| 175 | E | 55.6 | Low | 75.2 | Confident | 185 Ų | 185 | 72.8 Ų | 72.8 | 86% | 0.864 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -55.1 | -28.1 | -173.1 | -64.4 | -176.8 | 166.6 | 0 | 0 | 114.3 | H177 | E175-H177 PolarHBondContact O-N 2.81Å; E175-H177 VanDerWaalsContact O-N 3.07Å |
| 176 | K | 53.9 | Low | 75.6 | Confident | 191 Ų | 191 | 73 Ų | 73 | 83% | 0.83 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -62.3 | -19.8 | -169.3 | -67.1 | -173.1 | 177 | -178 | 0 | 115.6 | N174 | N174-K176 PolarHBondContact O-N 2.93Š|
| 177 | H | 55 | Low | 75.9 | Confident | 103 Ų | 103 | 71.5 Ų | 71.5 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -144.2 | 40.6 | -177.1 | -66.5 | -81.9 | 0 | 0 | 0 | 113.1 | E175 E179 Q180 K181 | E175-H177 PolarHBondContact O-N 2.81Å; E175-H177 VanDerWaalsContact O-N 3.07Å; H177-E179 PolarHBondContact O-N 3.33Å; H177-Q180 PolarHBondContact ND1-OE1 2.86Å; H177-Q180 VanDerWaalsContact ND1-OE1 3.09Å; H177-Q180 PolarHBondContact O-N 3.34Å; H177-K181 PolarHBondContact O-N 2.81Å |
| 178 | S | 64.3 | Low | 76.1 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -44.3 | -169.3 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 179 | E | 69.5 | Low | 76.3 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -40.8 | -177 | -69.5 | -168.6 | -176 | 0 | 0 | 113.3 | H177 K181 N182 K442 | H177-E179 PolarHBondContact O-N 3.33Å; E179-K181 PolarHBondContact O-N 3.13Å; E179-N182 VanDerWaalsContact O-CB 3.26Å; E179-N182 WeakPolarHBondContact O-CB 3.43Å; E179-N182 PolarHBondContact O-N 2.86Å; E179-N182 VanDerWaalsContact O-N 3.14Å; E179-N182 PolarHBondContact O-ND2 3.34Å; E179-K442 IonicContact OE2-NZ 2.82Å; E179-K442 PolarHBondContact OE2-NZ 3.26Å |
| 180 | Q | 72.3 | Confident | 76.2 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.3 | -178.2 | -72.4 | 176.1 | -40.2 | 0 | 0 | 112.7 | H177 N182 G200 L201 M439 | H177-Q180 PolarHBondContact ND1-OE1 2.86Å; H177-Q180 VanDerWaalsContact ND1-OE1 3.09Å; H177-Q180 PolarHBondContact O-N 3.34Å; Q180-N182 VanDerWaalsContact C-N 3.27Å; Q180-G200 CarbonylContact O-C 3.58Å; Q180-G200 WeakPolarHBondContact O-CA 3.2Å; Q180-G200 PolarHBondContact O-N 3.43Å; Q180-G200 VanDerWaalsContact O-N 3.1Å; Q180-L201 HydrophobicContact CB-CD2 3.77Å; Q180-L201 HydrophobicContact CB-CG 4.06Å; Q180-L201 HydrophobicContact CG-CD2 4.48Å; Q180-L201 PolarHBondContact O-N 2.81Å; Q180-M439 PolarHBondContact NE2-O 2.78Å; Q180-M439 VanDerWaalsContact NE2-O 3.15Å |
| 181 | K | 78.5 | Confident | 76.4 | Confident | 62 Ų | 62 | 69 Ų | 69 | 27% | 0.27 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.4 | 175.5 | -74.1 | -170.1 | 172 | -164.8 | 0 | 113.8 | T173 H177 E179 L201 | T173-K181 HydrophobicContact CG2-CD 4.47Å; H177-K181 PolarHBondContact O-N 2.81Å; E179-K181 PolarHBondContact O-N 3.13Å; K181-L201 HydrophobicContact CG-CD1 3.8Å |
| 182 | N | 86.8 | Confident | 77.1 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -60.4 | 139.4 | 174.1 | -70.7 | -22.4 | 0 | 0 | 0 | 110.5 | S154 E179 Q180 N199 G200 | S154-N182 PolarHBondContact N-OD1 3.35Å; S154-N182 PolarHBondContact OG-OD1 2.68Å; E179-N182 VanDerWaalsContact O-CB 3.26Å; E179-N182 WeakPolarHBondContact O-CB 3.43Å; E179-N182 PolarHBondContact O-N 2.86Å; E179-N182 VanDerWaalsContact O-N 3.14Å; E179-N182 PolarHBondContact O-ND2 3.34Å; Q180-N182 VanDerWaalsContact C-N 3.27Å; N182-N199 WeakPolarHBondContact O-CA 3.31Å; N182-N199 WeakPolarHBondContact O-CB 3.45Å; N182-G200 PolarHBondContact O-N 2.99Å |
| 183 | Y | 90.3 | Very high | 78.1 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 6% | 0.055 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 139.8 | 174.6 | -59.8 | -57.9 | 0 | 0 | 0 | 110.2 | I151 D153 S154 I171 T197 G198 N199 F205 W207 | I151-Y183 HydrophobicContact CB-CD2 4.24Å; I151-Y183 HydrophobicContact CB-CG 4.48Å; I151-Y183 VanDerWaalsContact CD1-CB 3.48Å; I151-Y183 HydrophobicContact CG2-CD2 3.8Å; I151-Y183 HydrophobicContact CG2-CG 4.06Å; D153-Y183 PolarHBondContact O-N 3.04Å; S154-Y183 VanDerWaalsContact C-CE2 3.48Å; S154-Y183 VanDerWaalsContact O-CE2 3.3Å; S154-Y183 WeakPolarHBondContact O-CE2 3.27Å; I171-Y183 WeakPolarHBondContact CD1-OH 3.43Å; I171-Y183 VanDerWaalsContact CG1-OH 3.25Å; I171-Y183 WeakPolarHBondContact CG1-OH 3.41Å; Y183-T197 WeakPolarHBondContact CE1-OG1 3.47Å; Y183-G198 CarbonylContact C-O 3.57Å; Y183-G198 WeakPolarHBondContact CA-O 3.42Å; Y183-N199 HydrophobicContact CD1-CB 4.17Å; Y183-F205 AromaticContact CE1-CD2 3.92Å; Y183-F205 HydrophobicContact CE1-CD2 3.92Å; Y183-F205 HydrophobicContact CE1-CE2 4.42Å; Y183-W207 WeakPolarHBondContact OH-CZ2 3.46Å |
| 184 | T | 89.7 | Confident | 79.5 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -23.3 | -174 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | I139 G198 Q278 V279 | I139-T184 WeakPolarHBondContact CD1-O 3.06Å; T184-G198 PolarHBondContact N-O 3.16Å; T184-G198 PolarHBondContact OG1-O 3.1Å; T184-Q278 HydrophobicContact CG2-CG 3.89Å; T184-Q278 VanDerWaalsContact CG2-NE2 3.3Å; T184-V279 WeakPolarHBondContact CB-O 3.46Å; T184-V279 PolarHBondContact OG1-O 3.41Å |
| 185 | C | 92.9 | Very high | 81.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.6 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | T197 G198 | C185-T197 WeakPolarHBondContact O-CA 3.3Å; C185-G198 PolarHBondContact N-O 2.88Å; C185-G198 PolarHBondContact O-N 2.77Å |
| 186 | I | 94.2 | Very high | 82.9 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.3 | -178.8 | -177.4 | 177.9 | 0 | 0 | 0 | 109.8 | I139 A141 A149 I151 L156 I195 A196 T197 | I139-I186 HydrophobicContact CB-CG2 4.45Å; I139-I186 HydrophobicContact CG2-CG2 4.01Å; A141-I186 HydrophobicContact CB-CB 4.27Å; A141-I186 HydrophobicContact CB-CD1 3.91Å; A141-I186 HydrophobicContact CB-CG1 3.71Å; A141-I186 HydrophobicContact CB-CG2 3.85Å; A149-I186 HydrophobicContact CB-CD1 3.55Å; I151-I186 HydrophobicContact CD1-CB 4.09Å; I151-I186 HydrophobicContact CD1-CG2 4.19Å; I151-I186 HydrophobicContact CG1-CB 4.26Å; I151-I186 HydrophobicContact CG1-CG2 4.09Å; I151-I186 HydrophobicContact CG2-CB 4.33Å; I151-I186 HydrophobicContact CG2-CD1 4.18Å; L156-I186 HydrophobicContact CD1-CD1 3.65Å; I186-I195 HydrophobicContact CD1-CG2 3.79Å; I186-I195 HydrophobicContact CG1-CG2 3.79Å; I186-A196 CarbonylContact C-O 3.58Å; I186-A196 VanDerWaalsContact CA-O 3.3Å; I186-A196 WeakPolarHBondContact CA-O 3.45Å; I186-A196 WeakPolarHBondContact CG1-O 3.45Å; I186-T197 HydrophobicContact CB-CG2 4.48Å; I186-T197 HydrophobicContact CD1-CG2 4.44Å; I186-T197 HydrophobicContact CG1-CG2 4.12Å |
| 187 | A | 92.3 | Very high | 84.8 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I195 A196 L282 F284 | A187-I195 CarbonylContact O-C 3.55Å; A187-I195 WeakPolarHBondContact O-CA 3.29Å; A187-A196 HydrophobicContact CB-CB 4.44Å; A187-A196 PolarHBondContact N-O 3.47Å; A187-A196 PolarHBondContact O-N 3.09Å; A187-L282 HydrophobicContact CB-CB 3.79Å; A187-F284 HydrophobicContact CB-CD2 3.81Å; A187-F284 HydrophobicContact CB-CE2 4Å |
| 188 | A | 91 | Very high | 86.7 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A141 K143 F284 | A141-A188 HydrophobicContact CB-CB 4.14Å; K143-A188 HydrophobicContact CB-CB 3.99Å; A188-F284 VanDerWaalsContact C-CD2 3.48Å; A188-F284 WeakPolarHBondContact O-CD2 3.4Å |
| 189 | H | 90.6 | Very high | 87.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | trans | -69.8 | 137.5 | 179.1 | -176.1 | -86.5 | 0 | 0 | 0 | 110.5 | K191 D192 I194 F284 G288 | H189-K191 VanDerWaalsContact C-N 3.34Å; H189-K191 PolarHBondContact ND1-N 2.99Å; H189-K191 PolarHBondContact O-N 2.78Å; H189-D192 IonicContact CE1-OD2 2.7Å; H189-D192 PolarHBondContact CE1-OD2 3.38Å; H189-D192 PolarHBondContact ND1-N 2.82Å; H189-D192 IonicContact ND1-OD2 3.96Å; H189-D192 IonicContact NE2-OD2 3.22Å; H189-I194 HydrophobicContact CB-CB 3.78Å; H189-I194 HydrophobicContact CB-CG2 4.44Å; H189-I194 WeakPolarHBondContact CB-O 3.03Å; H189-I194 PolarHBondContact N-O 3.37Å; H189-F284 HydrophobicContact CB-CD1 4.44Å; H189-F284 HydrophobicContact CB-CD2 4.17Å; H189-F284 HydrophobicContact CB-CE1 4.34Å; H189-F284 HydrophobicContact CB-CE2 4.07Å; H189-F284 HydrophobicContact CB-CG 4.34Å; H189-F284 HydrophobicContact CB-CZ 4.15Å; H189-F284 AromaticContact CD2-CD1 3.62Å; H189-F284 AromaticContact CD2-CE1 3.76Å; H189-G288 WeakPolarHBondContact NE2-CA 3.4Å; H189-G288 PolarHBondContact NE2-O 2.96Å | ||
| 190 | P | 85.2 | Confident | 88.7 | Confident | 59 Ų | 59 | 27.5 Ų | 27.5 | 38% | 0.383 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -68.3 | -27.9 | -169 | 25.4 | -36 | 0 | 0 | 0 | 114.3 | ||
| 191 | K | 84.3 | Confident | 89.4 | Confident | 135 Ų | 135 | 26.6 Ų | 26.6 | 59% | 0.587 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -112.8 | -60.5 | -175.8 | -62.8 | 176.7 | -178.7 | 171.2 | 0 | 111.7 | K143 H189 | K143-K191 WeakPolarHBondContact CE-O 3.15Å; K143-K191 PolarHBondContact NZ-O 2.84Å; H189-K191 VanDerWaalsContact C-N 3.34Å; H189-K191 PolarHBondContact ND1-N 2.99Å; H189-K191 PolarHBondContact O-N 2.78Å |
| 192 | D | 87 | Confident | 89.8 | Confident | 84 Ų | 84 | 23.6 Ų | 23.6 | 45% | 0.449 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -78 | 160 | -179.2 | -54 | -50.9 | 0 | 0 | 0 | 114.6 | K143 H189 I194 | K143-D192 WeakPolarHBondContact CE-O 3.07Å; K143-D192 VanDerWaalsContact NZ-C 3.28Å; K143-D192 PolarHBondContact NZ-O 2.79Å; H189-D192 IonicContact CE1-OD2 2.7Å; H189-D192 PolarHBondContact CE1-OD2 3.38Å; H189-D192 PolarHBondContact ND1-N 2.82Å; H189-D192 IonicContact ND1-OD2 3.96Å; H189-D192 IonicContact NE2-OD2 3.22Å; D192-I194 HydrophobicContact CB-CD1 3.79Å; D192-I194 HydrophobicContact CB-CG1 4.14Å; D192-I194 PolarHBondContact O-N 2.85Å |
| 193 | C | 87.3 | Confident | 90 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 9% | 0.088 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82 | 68.9 | 175.4 | -167.8 | 0 | 0 | 0 | 0 | 110.9 | F147 L210 C211 | F147-C193 HydrophobicContact CE1-CB 4.25Å; F147-C193 WeakPolarHBondContact CE1-SG 3.1Å; C193-L210 VanDerWaalsContact SG-CB 3.52Å; C193-C211 HydrophobicContact CB-CB 4.33Å; C193-C211 WeakPolarHBondContact CB-SG 3.25Å |
| 194 | I | 90 | Very high | 90.1 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | trans | -125.3 | 139.3 | 179.1 | -61.9 | 161.3 | 0 | 0 | 0 | 108.5 | H189 D192 I206 W207 W208 F284 F309 | H189-I194 HydrophobicContact CB-CB 3.78Å; H189-I194 HydrophobicContact CB-CG2 4.44Å; H189-I194 WeakPolarHBondContact CB-O 3.03Å; H189-I194 PolarHBondContact N-O 3.37Å; D192-I194 HydrophobicContact CB-CD1 3.79Å; D192-I194 HydrophobicContact CB-CG1 4.14Å; D192-I194 PolarHBondContact O-N 2.85Å; I194-I206 HydrophobicContact CG2-CG2 3.6Å; I194-W207 WeakPolarHBondContact CA-O 3Å; I194-W208 HydrophobicContact CG1-CB 4.23Å; I194-F284 HydrophobicContact CG2-CZ 4.27Å; I194-F309 HydrophobicContact CD1-CE2 4.35Å; I194-F309 HydrophobicContact CD1-CZ 3.74Å; I194-F309 HydrophobicContact CG1-CZ 4.42Å | ||
| 195 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.6 | 175.6 | -61.9 | 168.3 | 0 | 0 | 0 | 108.4 | F147 A149 L156 V158 I186 A187 T197 W207 L210 | F147-I195 HydrophobicContact CE2-CD1 3.82Å; F147-I195 HydrophobicContact CE2-CG1 4.01Å; F147-I195 HydrophobicContact CZ-CD1 4.45Å; F147-I195 HydrophobicContact CZ-CG1 4.36Å; A149-I195 HydrophobicContact CB-CD1 3.61Å; A149-I195 HydrophobicContact CB-CG1 4.29Å; L156-I195 HydrophobicContact CD1-CG2 4.1Å; L156-I195 HydrophobicContact CD2-CD1 4.44Å; L156-I195 HydrophobicContact CD2-CG2 4.22Å; V158-I195 HydrophobicContact CG2-CD1 3.41Å; V158-I195 VanDerWaalsContact CG2-CD1 3.41Å; I186-I195 HydrophobicContact CD1-CG2 3.79Å; I186-I195 HydrophobicContact CG1-CG2 3.79Å; A187-I195 CarbonylContact O-C 3.55Å; A187-I195 WeakPolarHBondContact O-CA 3.29Å; I195-T197 HydrophobicContact CG2-CG2 4.2Å; I195-W207 HydrophobicContact CB-CB 4.29Å; I195-W207 PolarHBondContact N-O 2.97Å; I195-W207 PolarHBondContact O-N 2.93Å; I195-L210 HydrophobicContact CB-CD1 4.2Å; I195-L210 HydrophobicContact CD1-CD1 3.57Å; I195-L210 HydrophobicContact CG1-CD1 3.71Å |
| 196 | A | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I186 A187 F205 I206 L282 F284 L291 | I186-A196 CarbonylContact C-O 3.58Å; I186-A196 VanDerWaalsContact CA-O 3.3Å; I186-A196 WeakPolarHBondContact CA-O 3.45Å; I186-A196 WeakPolarHBondContact CG1-O 3.45Å; A187-A196 HydrophobicContact CB-CB 4.44Å; A187-A196 PolarHBondContact N-O 3.47Å; A187-A196 PolarHBondContact O-N 3.09Å; A196-F205 CarbonylContact C-O 3.49Å; A196-F205 VanDerWaalsContact CA-O 3.28Å; A196-F205 WeakPolarHBondContact CA-O 3.47Å; A196-I206 HydrophobicContact CB-CD1 3.55Å; A196-L282 HydrophobicContact CB-CD1 4.24Å; A196-F284 HydrophobicContact CB-CE2 3.8Å; A196-F284 HydrophobicContact CB-CZ 3.87Å; A196-L291 HydrophobicContact CB-CD1 4.11Å; A196-L291 HydrophobicContact CB-CD2 3.96Å |
| 197 | T | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.3 | 175 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | I151 L156 Y183 C185 I186 I195 I204 F205 W207 | I151-T197 HydrophobicContact CG2-CG2 3.8Å; L156-T197 HydrophobicContact CD1-CG2 4.13Å; L156-T197 HydrophobicContact CD2-CG2 4.37Å; Y183-T197 WeakPolarHBondContact CE1-OG1 3.47Å; C185-T197 WeakPolarHBondContact O-CA 3.3Å; I186-T197 HydrophobicContact CB-CG2 4.48Å; I186-T197 HydrophobicContact CD1-CG2 4.44Å; I186-T197 HydrophobicContact CG1-CG2 4.12Å; I195-T197 HydrophobicContact CG2-CG2 4.2Å; T197-I204 CarbonylContact O-C 3.59Å; T197-I204 WeakPolarHBondContact O-CA 3.42Å; T197-F205 PolarHBondContact N-O 2.87Å; T197-F205 PolarHBondContact O-N 2.68Å; T197-W207 PolarHBondContact OG1-NE1 2.8Å |
| 198 | G | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 152.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y183 T184 C185 E203 | Y183-G198 CarbonylContact C-O 3.57Å; Y183-G198 WeakPolarHBondContact CA-O 3.42Å; T184-G198 PolarHBondContact N-O 3.16Å; T184-G198 PolarHBondContact OG1-O 3.1Å; C185-G198 PolarHBondContact N-O 2.88Å; C185-G198 PolarHBondContact O-N 2.77Å; G198-E203 CarbonylContact C-O 3.58Å; G198-E203 WeakPolarHBondContact CA-O 3.35Å |
| 199 | N | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 179.3 | 179.2 | 74.1 | 9.8 | 0 | 0 | 0 | 113.9 | N182 Y183 L201 G202 E203 V279 | N182-N199 WeakPolarHBondContact O-CA 3.31Å; N182-N199 WeakPolarHBondContact O-CB 3.45Å; Y183-N199 HydrophobicContact CD1-CB 4.17Å; N199-L201 PolarHBondContact O-N 2.86Å; N199-L201 WeakPolarHBondContact OD1-CA 3.26Å; N199-L201 WeakPolarHBondContact OD1-CB 3.31Å; N199-L201 PolarHBondContact OD1-N 3.01Å; N199-G202 PolarHBondContact O-N 3.46Å; N199-G202 PolarHBondContact OD1-N 3.35Å; N199-E203 PolarHBondContact N-O 3.23Å; N199-E203 PolarHBondContact ND2-OE2 3.33Å; N199-E203 WeakPolarHBondContact OD1-CB 3.49Å; N199-E203 PolarHBondContact OD1-N 2.83Å; N199-E203 PolarHBondContact OD1-O 3.03Å; N199-V279 PolarHBondContact O-N 3.47Å; N199-V279 VanDerWaalsContact O-N 3.07Å |
| 200 | G | 86.7 | Confident | 89.6 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 13% | 0.134 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q180 N182 Q278 | Q180-G200 CarbonylContact O-C 3.58Å; Q180-G200 WeakPolarHBondContact O-CA 3.2Å; Q180-G200 PolarHBondContact O-N 3.43Å; Q180-G200 VanDerWaalsContact O-N 3.1Å; N182-G200 PolarHBondContact O-N 2.99Å; G200-Q278 WeakPolarHBondContact O-CA 3.38Å; G200-Q278 PolarHBondContact O-N 3.02Å |
| 201 | L | 85.3 | Confident | 89.6 | Confident | 33 Ų | 33 | 24.6 Ų | 24.6 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.6 | 177.3 | -65.7 | 176.2 | 0 | 0 | 0 | 113.5 | Q180 K181 N199 E203 | Q180-L201 HydrophobicContact CB-CD2 3.77Å; Q180-L201 HydrophobicContact CB-CG 4.06Å; Q180-L201 HydrophobicContact CG-CD2 4.48Å; Q180-L201 PolarHBondContact O-N 2.81Å; K181-L201 HydrophobicContact CG-CD1 3.8Å; N199-L201 PolarHBondContact O-N 2.86Å; N199-L201 WeakPolarHBondContact OD1-CA 3.26Å; N199-L201 WeakPolarHBondContact OD1-CB 3.31Å; N199-L201 PolarHBondContact OD1-N 3.01Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-E203 HydrophobicContact CB-CG 4.15Å |
| 202 | G | 87.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 85.3 | 5.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N199 H275 V277 | N199-G202 PolarHBondContact O-N 3.46Å; N199-G202 PolarHBondContact OD1-N 3.35Å; G202-H275 WeakPolarHBondContact CA-O 3.49Å; G202-V277 WeakPolarHBondContact CA-O 3.43Å; G202-V277 PolarHBondContact N-O 2.92Å |
| 203 | E | 90.3 | Very high | 88.8 | Confident | 38 Ų | 38 | 20 Ų | 20 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.5 | 176.8 | -57.4 | 174.3 | 140.2 | 0 | 0 | 110.1 | G198 N199 L201 F205 L271 | G198-E203 CarbonylContact C-O 3.58Å; G198-E203 WeakPolarHBondContact CA-O 3.35Å; N199-E203 PolarHBondContact N-O 3.23Å; N199-E203 PolarHBondContact ND2-OE2 3.33Å; N199-E203 WeakPolarHBondContact OD1-CB 3.49Å; N199-E203 PolarHBondContact OD1-N 2.83Å; N199-E203 PolarHBondContact OD1-O 3.03Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-E203 HydrophobicContact CB-CG 4.15Å; E203-F205 HydrophobicContact CB-CE2 4.23Å; E203-L271 HydrophobicContact CB-CD1 3.7Å; E203-L271 HydrophobicContact CG-CD1 4.08Å |
| 204 | I | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.6 | 174.5 | -59 | 164.5 | 0 | 0 | 0 | 107.8 | T197 I206 L272 V279 L282 L291 W303 | T197-I204 CarbonylContact O-C 3.59Å; T197-I204 WeakPolarHBondContact O-CA 3.42Å; I204-I206 HydrophobicContact CG2-CD1 4.1Å; I204-L272 HydrophobicContact CB-CB 4.1Å; I204-L272 HydrophobicContact CG2-CD1 4.31Å; I204-L272 PolarHBondContact N-O 3.4Å; I204-L272 PolarHBondContact O-N 3.27Å; I204-V279 HydrophobicContact CD1-CG1 4.38Å; I204-V279 HydrophobicContact CD1-CG2 4.32Å; I204-V279 HydrophobicContact CG1-CG1 4.32Å; I204-V279 HydrophobicContact CG1-CG2 3.82Å; I204-L282 HydrophobicContact CD1-CD2 3.92Å; I204-L282 HydrophobicContact CG1-CD2 4.22Å; I204-L282 HydrophobicContact CG2-CD1 4.24Å; I204-L282 HydrophobicContact CG2-CD2 4.16Å; I204-L291 HydrophobicContact CG2-CD2 4.11Å; I204-W303 HydrophobicContact CD1-CZ2 3.97Å |
| 205 | F | 91.4 | Very high | 86.1 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.1 | 174.6 | -66.6 | -76.9 | 0 | 0 | 0 | 111 | I171 Y183 A196 T197 E203 W207 S270 L271 | I171-F205 HydrophobicContact CD1-CD1 4.44Å; I171-F205 HydrophobicContact CD1-CD2 3.99Å; I171-F205 HydrophobicContact CD1-CE1 4.24Å; I171-F205 HydrophobicContact CD1-CE2 3.76Å; I171-F205 HydrophobicContact CD1-CG 4.31Å; I171-F205 HydrophobicContact CD1-CZ 3.89Å; Y183-F205 AromaticContact CE1-CD2 3.92Å; Y183-F205 HydrophobicContact CE1-CD2 3.92Å; Y183-F205 HydrophobicContact CE1-CE2 4.42Å; A196-F205 CarbonylContact C-O 3.49Å; A196-F205 VanDerWaalsContact CA-O 3.28Å; A196-F205 WeakPolarHBondContact CA-O 3.47Å; T197-F205 PolarHBondContact N-O 2.87Å; T197-F205 PolarHBondContact O-N 2.68Å; E203-F205 HydrophobicContact CB-CE2 4.23Å; F205-W207 HydrophobicContact CB-CZ2 4.41Å; F205-S270 WeakPolarHBondContact CA-O 3.28Å; F205-L271 HydrophobicContact CD1-CB 4.36Å; F205-L271 HydrophobicContact CD1-CD1 4.19Å; F205-L271 HydrophobicContact CE1-CB 4.14Å; F205-L271 HydrophobicContact CE1-CD1 3.76Å; F205-L271 HydrophobicContact CE1-CG 4.43Å; F205-L271 HydrophobicContact CZ-CD1 3.97Å |
| 206 | I | 91.9 | Very high | 84.3 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.8 | 172.1 | -53 | -57.3 | 0 | 0 | 0 | 108.3 | I194 A196 I204 R269 S270 L272 L291 C308 F309 | I194-I206 HydrophobicContact CG2-CG2 3.6Å; A196-I206 HydrophobicContact CB-CD1 3.55Å; I204-I206 HydrophobicContact CG2-CD1 4.1Å; I206-R269 CarbonylContact O-C 3.5Å; I206-R269 VanDerWaalsContact O-CA 3.27Å; I206-R269 WeakPolarHBondContact O-CA 3.26Å; I206-S270 PolarHBondContact N-O 3.38Å; I206-S270 PolarHBondContact O-N 2.86Å; I206-L272 HydrophobicContact CD1-CD1 3.95Å; I206-L272 HydrophobicContact CG1-CD1 3.76Å; I206-L272 HydrophobicContact CG1-CG 4.16Å; I206-L291 HydrophobicContact CD1-CD2 3.65Å; I206-C308 HydrophobicContact CB-CB 4.42Å; I206-C308 HydrophobicContact CG1-CB 3.95Å; I206-C308 HydrophobicContact CG2-CB 4.28Å; I206-F309 HydrophobicContact CG2-CE1 4.47Å; I206-F309 HydrophobicContact CG2-CZ 4.44Å |
| 207 | W | 92 | Very high | 82.7 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 5% | 0.045 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.5 | 178.1 | -55.1 | 84.8 | 0 | 0 | 0 | 109.5 | L156 I171 Y183 I194 I195 T197 F205 L210 V267 R269 | L156-W207 HydrophobicContact CD2-CB 4.34Å; L156-W207 HydrophobicContact CD2-CD2 3.73Å; L156-W207 HydrophobicContact CD2-CE3 4.4Å; L156-W207 HydrophobicContact CD2-CG 3.66Å; I171-W207 HydrophobicContact CD1-CH2 4.15Å; I171-W207 HydrophobicContact CD1-CZ2 4.08Å; I171-W207 HydrophobicContact CG1-CH2 3.9Å; I171-W207 HydrophobicContact CG1-CZ2 4.24Å; Y183-W207 WeakPolarHBondContact OH-CZ2 3.46Å; I194-W207 WeakPolarHBondContact CA-O 3Å; I195-W207 HydrophobicContact CB-CB 4.29Å; I195-W207 PolarHBondContact N-O 2.97Å; I195-W207 PolarHBondContact O-N 2.93Å; T197-W207 PolarHBondContact OG1-NE1 2.8Å; F205-W207 HydrophobicContact CB-CZ2 4.41Å; W207-L210 HydrophobicContact CB-CD1 4.3Å; W207-L210 HydrophobicContact CB-CD2 4.37Å; W207-V267 HydrophobicContact CE3-CG1 4.23Å; W207-R269 HydrophobicContact CE3-CB 4.35Å; W207-R269 HydrophobicContact CZ3-CB 4.5Å |
| 208 | W | 90 | Very high | 81.3 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 170.2 | -176.2 | 63.8 | -82.4 | 0 | 0 | 0 | 111.1 | I194 L210 K268 S270 F309 | I194-W208 HydrophobicContact CG1-CB 4.23Å; W208-L210 PolarHBondContact O-N 3.03Å; W208-K268 HydrophobicContact CD2-CB 3.74Å; W208-K268 HydrophobicContact CD2-CD 4.4Å; W208-K268 HydrophobicContact CE3-CB 4.33Å; W208-K268 HydrophobicContact CE3-CD 4.28Å; W208-K268 HydrophobicContact CG-CB 4.21Å; W208-K268 HydrophobicContact CH2-CB 4.26Å; W208-K268 HydrophobicContact CH2-CD 3.23Å; W208-K268 HydrophobicContact CH2-CG 4.37Å; W208-K268 HydrophobicContact CZ2-CB 3.63Å; W208-K268 HydrophobicContact CZ2-CD 3.32Å; W208-K268 HydrophobicContact CZ2-CG 4.11Å; W208-K268 HydrophobicContact CZ3-CD 3.73Å; W208-K268 PolarHBondContact N-O 3.27Å; W208-K268 PolarHBondContact O-N 3.34Å; W208-S270 PolarHBondContact NE1-OG 3.04Å; W208-F309 HydrophobicContact CB-CE1 3.84Å; W208-F309 HydrophobicContact CB-CZ 4.46Å; W208-F309 AromaticContact CD1-CE1 3.71Å; W208-F309 HydrophobicContact CD2-CD1 4.11Å; W208-F309 AromaticContact CD2-CE1 3.84Å; W208-F309 HydrophobicContact CD2-CE1 3.84Å; W208-F309 AromaticContact CE2-CD1 3.96Å; W208-F309 HydrophobicContact CE3-CE1 4.47Å; W208-F309 HydrophobicContact CG-CD1 4.22Å; W208-F309 AromaticContact CG-CE1 3.56Å; W208-F309 HydrophobicContact CG-CE1 3.56Å; W208-F309 HydrophobicContact CZ2-CD1 4.4Å |
| 209 | N | 88.2 | Confident | 80.1 | Confident | 57 Ų | 57 | 45 Ų | 45 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | trans | 60.3 | 33.8 | -167.6 | -158.5 | 40.7 | 0 | 0 | 0 | 112.4 | C211 H266 | N209-C211 VanDerWaalsContact C-N 3.33Å; N209-H266 PolarHBondContact ND2-O 3.11Å | ||
| 210 | L | 87.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -73.2 | -25.6 | -179.3 | -70.5 | 168.6 | 0 | 0 | 0 | 112.7 | Y169 C193 I195 W207 W208 V262 V267 | Y169-L210 HydrophobicContact CE1-CD2 4.26Å; Y169-L210 HydrophobicContact CE2-CD2 3.92Å; C193-L210 VanDerWaalsContact SG-CB 3.52Å; I195-L210 HydrophobicContact CB-CD1 4.2Å; I195-L210 HydrophobicContact CD1-CD1 3.57Å; I195-L210 HydrophobicContact CG1-CD1 3.71Å; W207-L210 HydrophobicContact CB-CD1 4.3Å; W207-L210 HydrophobicContact CB-CD2 4.37Å; W208-L210 PolarHBondContact O-N 3.03Å; L210-V262 PolarHBondContact O-N 3.36Å; L210-V262 VanDerWaalsContact O-N 3.17Å; L210-V267 HydrophobicContact CD2-CG1 3.63Å; L210-V267 HydrophobicContact CD2-CG2 4.12Å; L210-V267 HydrophobicContact CG-CG1 4.4Å | ||
| 211 | C | 85.8 | Confident | 78.8 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.6 | 178 | 67 | 0 | 0 | 0 | 0 | 112.9 | W160 C193 N209 Y259 Y260 V262 | W160-C211 HydrophobicContact CH2-CB 3.69Å; W160-C211 HydrophobicContact CZ2-CB 4.47Å; W160-C211 HydrophobicContact CZ3-CB 4.35Å; C193-C211 HydrophobicContact CB-CB 4.33Å; C193-C211 WeakPolarHBondContact CB-SG 3.25Å; N209-C211 VanDerWaalsContact C-N 3.33Å; C211-Y259 HydrophobicContact CB-CD1 4.25Å; C211-Y259 HydrophobicContact CB-CG 4.38Å; C211-Y259 WeakPolarHBondContact SG-CD1 3.13Å; C211-Y260 CarbonylContact C-O 3.59Å; C211-Y260 WeakPolarHBondContact CA-O 3.49Å; C211-Y260 WeakPolarHBondContact CB-O 3.37Å; C211-V262 VanDerWaalsContact C-CG2 3.47Å |
| 212 | A | 80 | Confident | 78.4 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | M220 Y259 Y260 V262 | A212-M220 HydrophobicContact CB-CG 4.47Å; A212-Y259 WeakPolarHBondContact O-CA 3.46Å; A212-Y260 HydrophobicContact CB-CE1 3.94Å; A212-Y260 HydrophobicContact CB-CE2 3.92Å; A212-Y260 PolarHBondContact N-O 2.8Å; A212-Y260 WeakPolarHBondContact O-CD1 3.45Å; A212-Y260 PolarHBondContact O-N 2.9Å; A212-V262 HydrophobicContact CB-CG2 3.51Å; A212-V262 VanDerWaalsContact N-CG2 3.31Å |
| 213 | Q | 73 | Confident | 77.7 | Confident | 110 Ų | 110 | 52.5 Ų | 52.5 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | trans | -82.4 | 159.2 | 170.4 | -166.8 | 169 | -3.2 | 0 | 0 | 109.4 | D215 Y260 | Q213-D215 PolarHBondContact O-N 2.81Å; Q213-Y260 WeakPolarHBondContact O-CE1 3.41Å | ||
| 214 | T | 65.1 | Low | 76.5 | Confident | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -56.1 | -21.4 | -176.1 | 42.7 | 0 | 0 | 0 | 0 | 115.5 | G216 L256 F257 | T214-G216 PolarHBondContact O-N 3.34Å; T214-L256 HydrophobicContact CG2-CD1 4.4Å; T214-F257 HydrophobicContact CG2-CB 3.89Å; T214-F257 WeakPolarHBondContact CG2-O 3.45Å |
| 215 | D | 57 | Low | 74.7 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -70 | 102.9 | -172.7 | -65 | -11.1 | 0 | 0 | 0 | 110.8 | Q213 H217 | Q213-D215 PolarHBondContact O-N 2.81Å; D215-H217 PolarHBondContact O-CD2 3.32Å; D215-H217 PolarHBondContact O-N 3.25Å |
| 216 | G | 55.2 | Low | 72.6 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 75% | 0.753 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 66.1 | -7.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | T214 L218 | T214-G216 PolarHBondContact O-N 3.34Å; G216-L218 PolarHBondContact O-N 3.41Å |
| 217 | H | 58.6 | Low | 70.3 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | trans | -99.6 | 31.9 | -166.9 | -68 | -62.4 | 0 | 0 | 0 | 115.4 | D215 N219 M220 Y260 | D215-H217 PolarHBondContact O-CD2 3.32Å; D215-H217 PolarHBondContact O-N 3.25Å; H217-N219 PolarHBondContact O-N 2.93Å; H217-M220 HydrophobicContact CB-CG 3.95Å; H217-M220 VanDerWaalsContact O-CB 3.31Å; H217-M220 WeakPolarHBondContact O-CB 3.35Å; H217-M220 VanDerWaalsContact O-CG 3.31Å; H217-M220 WeakPolarHBondContact O-CG 3.43Å; H217-M220 PolarHBondContact O-N 3.11Å; H217-Y260 PolarHBondContact O-OH 2.86Å | ||
| 218 | L | 65.3 | Low | 67.4 | Low | 100 Ų | 100 | 82.6 Ų | 82.6 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -56.4 | -20.2 | 175.7 | -75.9 | 174.8 | 0 | 0 | 0 | 113.3 | G216 M220 L221 F251 Y260 | G216-L218 PolarHBondContact O-N 3.41Å; L218-M220 PolarHBondContact O-N 2.95Å; L218-M220 VanDerWaalsContact O-N 3.13Å; L218-L221 HydrophobicContact CD2-CD1 3.7Å; L218-L221 WeakPolarHBondContact O-CB 3.23Å; L218-L221 PolarHBondContact O-N 3.44Å; L218-F251 HydrophobicContact CD2-CE2 4.27Å; L218-Y260 PolarHBondContact N-OH 3.21Å |
| 219 | N | 69 | Low | 64.8 | Low | 119 Ų | 119 | 84.8 Ų | 84.8 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -54.5 | -26.9 | 170.9 | -63.8 | -5.7 | 0 | 0 | 0 | 113 | H217 L221 N222 | H217-N219 PolarHBondContact O-N 2.93Å; N219-L221 PolarHBondContact O-N 3.46Å; N219-N222 PolarHBondContact O-N 2.96Å |
| 220 | M | 74.9 | Confident | 62.1 | Low | 42 Ų | 42 | 84.7 Ų | 84.7 | 21% | 0.207 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -72.7 | -9.2 | 179.2 | -59 | -65.6 | 93.9 | 0 | 0 | 113.8 | A212 H217 L218 N222 V262 H263 H266 | A212-M220 HydrophobicContact CB-CG 4.47Å; H217-M220 HydrophobicContact CB-CG 3.95Å; H217-M220 VanDerWaalsContact O-CB 3.31Å; H217-M220 WeakPolarHBondContact O-CB 3.35Å; H217-M220 VanDerWaalsContact O-CG 3.31Å; H217-M220 WeakPolarHBondContact O-CG 3.43Å; H217-M220 PolarHBondContact O-N 3.11Å; L218-M220 PolarHBondContact O-N 2.95Å; L218-M220 VanDerWaalsContact O-N 3.13Å; M220-N222 VanDerWaalsContact C-N 3.32Å; M220-V262 HydrophobicContact CB-CB 4.46Å; M220-V262 HydrophobicContact CB-CG1 3.96Å; M220-V262 HydrophobicContact CB-CG2 3.91Å; M220-H263 VanDerWaalsContact O-CB 3.29Å; M220-H263 WeakPolarHBondContact O-CB 3.22Å; M220-H263 PolarHBondContact O-N 3.48Å; M220-H266 WeakPolarHBondContact CE-CE1 3.37Å; M220-H266 HydrophobicContact SD-CB 4.41Å |
| 221 | L | 74.1 | Confident | 59.5 | Low | 10 Ų | 10 | 90.5 Ų | 90.5 | 5% | 0.052 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -77.5 | -21 | 173 | -64.9 | 178 | 0 | 0 | 0 | 112.7 | L218 N219 F240 K244 I247 Y260 | L218-L221 HydrophobicContact CD2-CD1 3.7Å; L218-L221 WeakPolarHBondContact O-CB 3.23Å; L218-L221 PolarHBondContact O-N 3.44Å; N219-L221 PolarHBondContact O-N 3.46Å; L221-F240 HydrophobicContact CD2-CE1 4.34Å; L221-K244 HydrophobicContact CB-CG 4.45Å; L221-K244 WeakPolarHBondContact O-CE 3.27Å; L221-I247 HydrophobicContact CD1-CG2 4.37Å; L221-I247 HydrophobicContact CD2-CD1 3.47Å; L221-I247 VanDerWaalsContact CD2-CD1 3.47Å; L221-Y260 HydrophobicContact CD2-CD2 3.79Å; L221-Y260 HydrophobicContact CD2-CE2 3.76Å; L221-Y260 HydrophobicContact CG-CE2 4.1Å |
| 222 | N | 77.2 | Confident | 56.9 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -100.3 | 153.4 | -179.1 | -66.1 | -24.5 | 0 | 0 | 0 | 110.2 | N219 M220 H266 | N219-N222 PolarHBondContact O-N 2.96Å; M220-N222 VanDerWaalsContact C-N 3.32Å; N222-H266 PolarHBondContact O-CD2 3.04Å; N222-H266 PolarHBondContact O-NE2 3Å |
| 223 | P | 72.1 | Confident | 54.7 | Low | 68 Ų | 68 | 105.7 Ų | 105.7 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 152.5 | 173 | 23.1 | -33 | 0 | 0 | 0 | 111.6 | S225 S265 | P223-S225 PolarHBondContact O-N 2.94Å; P223-S265 WeakPolarHBondContact CA-OG 3.48Å |
| 224 | V | 66.7 | Low | 53 | Low | 70 Ų | 70 | 105.9 Ų | 105.9 | 42% | 0.424 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 123.5 | 170.8 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | D226 S265 H266 | V224-D226 PolarHBondContact O-N 2.71Å; V224-S265 PolarHBondContact N-OG 2.91Å; V224-S265 VanDerWaalsContact N-OG 3.15Å; V224-H266 WeakPolarHBondContact CG2-CE1 3.44Å; V224-H266 VanDerWaalsContact CG2-ND1 3.32Å; V224-H266 WeakPolarHBondContact CG2-ND1 3.38Å |
| 225 | S | 54.5 | Low | 51.9 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 56% | 0.559 | 62% | 0.619 | S | S | * | * | trans | -76.3 | 99 | 170.6 | 57.9 | 0 | 0 | 0 | 0 | 108.6 | P223 E227 | P223-S225 PolarHBondContact O-N 2.94Å; S225-E227 PolarHBondContact O-N 2.81Å | ||
| 226 | D | 47.1 | Very low | 51.3 | Low | 151 Ų | 151 | 112.2 Ų | 112.2 | 81% | 0.807 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -66.8 | 107.3 | 150 | -71.3 | -21.4 | 0 | 0 | 0 | 104.9 | V224 | V224-D226 PolarHBondContact O-N 2.71Š|
| 227 | E | 42.9 | Very low | 51 | Low | 169 Ų | 169 | 115.7 Ų | 115.7 | 79% | 0.79 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 56.7 | 97.8 | 177.7 | -58.5 | -176.1 | 169.4 | 0 | 0 | 114.6 | S225 T229 | S225-E227 PolarHBondContact O-N 2.81Å; E227-T229 PolarHBondContact O-N 2.94Å |
| 228 | W | 31.6 | Very low | 51.1 | Low | 237 Ų | 237 | 112.7 Ų | 112.7 | 90% | 0.898 | 62% | 0.621 | S | S | * | * | trans | -65 | 79.4 | 172.3 | -165.5 | 4.6 | 0 | 0 | 0 | 110.6 | ||||
| 229 | T | 35.7 | Very low | 51.3 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | trans | -89.6 | 122 | 164.3 | 54.1 | 0 | 0 | 0 | 0 | 107.5 | E227 | E227-T229 PolarHBondContact O-N 2.94Š| ||
| 230 | G | 31.1 | Very low | 52 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -58 | 150 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 231 | S | 32.1 | Very low | 52.3 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 85% | 0.853 | 60% | 0.602 | S | S | * | * | trans | 57.3 | 67 | 159.6 | 67.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 232 | E | 32.7 | Very low | 52.8 | Low | 180 Ų | 180 | 111 Ų | 111 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | trans | -128.6 | 131 | 149.1 | -71.3 | -165.6 | 167.1 | 0 | 0 | 110.1 | C234 | E232-C234 PolarHBondContact O-N 3.13Š| ||
| 233 | N | 33.4 | Very low | 53.2 | Low | 167 Ų | 167 | 106.9 Ų | 106.9 | 89% | 0.893 | 60% | 0.597 | S | S | * | * | trans | -48.6 | 103.9 | 179.8 | -62.3 | -38.1 | 0 | 0 | 0 | 109.6 | S235 | N233-S235 PolarHBondContact O-N 2.79Å; N233-S235 VanDerWaalsContact O-N 3.07Å | ||
| 234 | C | 37.4 | Very low | 53.7 | Low | 113 Ų | 113 | 104.8 Ų | 104.8 | 76% | 0.764 | 58% | 0.58 | S | S | * | * | trans | -53.5 | 122.2 | 162.7 | -60.5 | 0 | 0 | 0 | 0 | 106 | E232 E236 | E232-C234 PolarHBondContact O-N 3.13Å; C234-E236 PolarHBondContact O-N 2.96Å; C234-E236 VanDerWaalsContact O-N 3.1Å | ||
| 235 | S | 40.4 | Very low | 54.6 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 70% | 0.699 | 59% | 0.59 | S | S | * | * | trans | -40.5 | 122.5 | 169.3 | 49.5 | 0 | 0 | 0 | 0 | 108.4 | N233 D237 | N233-S235 PolarHBondContact O-N 2.79Å; N233-S235 VanDerWaalsContact O-N 3.07Å; S235-D237 PolarHBondContact O-N 2.76Å | ||
| 236 | E | 45.4 | Very low | 56 | Low | 185 Ų | 185 | 105.5 Ų | 105.5 | 86% | 0.864 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -59.4 | -5 | -161.3 | -73.8 | -172.4 | 145.4 | 0 | 0 | 116 | C234 | C234-E236 PolarHBondContact O-N 2.96Å; C234-E236 VanDerWaalsContact O-N 3.1Å |
| 237 | D | 49.5 | Very low | 57.7 | Low | 146 Ų | 146 | 98.3 Ų | 98.3 | 78% | 0.781 | 53% | 0.533 | S | S | * | . | trans | -124.3 | 80.5 | 177.2 | -76.2 | -40.4 | 0 | 0 | 0 | 111.1 | S235 S239 | S235-D237 PolarHBondContact O-N 2.76Å; D237-S239 PolarHBondContact O-N 2.73Å | ||
| 238 | D | 59.3 | Low | 59.6 | Low | 48 Ų | 48 | 96.9 Ų | 96.9 | 26% | 0.257 | 52% | 0.524 | S | S | . | . | trans | -67.5 | 127 | 158.8 | 174.6 | 4.5 | 0 | 0 | 0 | 107.8 | F240 D241 K244 H263 | D238-F240 PolarHBondContact O-N 3.39Å; D238-F240 PolarHBondContact OD1-N 3.14Å; D238-D241 PolarHBondContact N-OD2 3.15Å; D238-D241 WeakPolarHBondContact O-CB 3.49Å; D238-D241 PolarHBondContact O-N 3.44Å; D238-K244 IonicContact OD2-NZ 3.65Å; D238-K244 PolarHBondContact OD2-NZ 3.23Å; D238-H263 IonicContact OD1-NE2 3.88Å; D238-H263 IonicContact OD2-CD2 2.81Å; D238-H263 IonicContact OD2-NE2 3.56Å | ||
| 239 | S | 70.8 | Confident | 62 | Low | 104 Ų | 104 | 92.2 Ų | 92.2 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -13 | 176.6 | -179.4 | 0 | 0 | 0 | 0 | 113.1 | D237 H242 | D237-S239 PolarHBondContact O-N 2.73Å; S239-H242 PolarHBondContact O-CE1 3.15Å; S239-H242 PolarHBondContact O-ND1 3.2Å |
| 240 | F | 83.1 | Confident | 64.2 | Low | 5 Ų | 5 | 88.4 Ų | 88.4 | 2% | 0.022 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -4.9 | 175.5 | -161.1 | -110.8 | 0 | 0 | 0 | 114.2 | V167 L221 D238 H242 V243 K244 P261 V262 H263 P264 | V167-F240 HydrophobicContact CG1-CD2 4.33Å; V167-F240 HydrophobicContact CG1-CE2 4.04Å; V167-F240 HydrophobicContact CG2-CD2 4.45Å; V167-F240 HydrophobicContact CG2-CE2 3.76Å; L221-F240 HydrophobicContact CD2-CE1 4.34Å; D238-F240 PolarHBondContact O-N 3.39Å; D238-F240 PolarHBondContact OD1-N 3.14Å; F240-H242 VanDerWaalsContact C-N 3.29Å; F240-H242 PolarHBondContact O-N 3.18Å; F240-V243 HydrophobicContact CD1-CB 4.28Å; F240-V243 HydrophobicContact CD2-CB 3.95Å; F240-V243 HydrophobicContact CD2-CG1 4.44Å; F240-V243 HydrophobicContact CD2-CG2 3.78Å; F240-V243 HydrophobicContact CE1-CB 4.1Å; F240-V243 HydrophobicContact CE1-CG1 4.05Å; F240-V243 HydrophobicContact CE2-CB 3.78Å; F240-V243 HydrophobicContact CE2-CG1 3.76Å; F240-V243 HydrophobicContact CE2-CG2 3.77Å; F240-V243 HydrophobicContact CG-CB 4.21Å; F240-V243 HydrophobicContact CG-CG2 4.4Å; F240-V243 HydrophobicContact CZ-CB 3.85Å; F240-V243 HydrophobicContact CZ-CG1 3.53Å; F240-V243 HydrophobicContact CZ-CG2 4.35Å; F240-V243 WeakPolarHBondContact O-CA 3.36Å; F240-V243 WeakPolarHBondContact O-CB 3.33Å; F240-V243 PolarHBondContact O-N 2.99Å; F240-K244 HydrophobicContact CD1-CG 3.8Å; F240-K244 HydrophobicContact CE1-CG 4.22Å; F240-K244 PolarHBondContact O-N 2.82Å; F240-K244 VanDerWaalsContact O-N 3.09Å; F240-P261 HydrophobicContact CZ-CB 4.31Å; F240-V262 WeakPolarHBondContact CZ-O 3.26Å; F240-H263 HydrophobicContact CD1-CB 4.15Å; F240-H263 AromaticContact CD1-CD2 3.68Å; F240-H263 HydrophobicContact CE1-CB 4.08Å; F240-H263 AromaticContact CG-CD2 3.81Å; F240-P264 HydrophobicContact CD2-CG 4.23Å |
| 241 | D | 81.3 | Confident | 66.4 | Low | 39 Ų | 39 | 89.4 Ų | 89.4 | 21% | 0.209 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.9 | -28.9 | -174.2 | -80.2 | -17.3 | 0 | 0 | 0 | 114 | D238 V243 K244 K245 | D238-D241 PolarHBondContact N-OD2 3.15Å; D238-D241 WeakPolarHBondContact O-CB 3.49Å; D238-D241 PolarHBondContact O-N 3.44Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 3.1Å; D241-K244 PolarHBondContact O-N 3.49Å; D241-K244 WeakPolarHBondContact OD1-CD 3.28Å; D241-K244 IonicContact OD1-NZ 3.87Å; D241-K244 PolarHBondContact OD1-NZ 3.37Å; D241-K245 WeakPolarHBondContact O-CB 3.2Å; D241-K245 VanDerWaalsContact O-CG 3.27Å; D241-K245 WeakPolarHBondContact O-CG 3.4Å; D241-K245 PolarHBondContact O-N 2.9Å |
| 242 | H | 83.8 | Confident | 68.7 | Low | 87 Ų | 87 | 87.8 Ų | 87.8 | 40% | 0.403 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 172.1 | 67.7 | -65.8 | 0 | 0 | 0 | 111.5 | S166 S239 F240 A246 | S166-H242 PolarHBondContact O-NE2 2.84Å; S239-H242 PolarHBondContact O-CE1 3.15Å; S239-H242 PolarHBondContact O-ND1 3.2Å; F240-H242 VanDerWaalsContact C-N 3.29Å; F240-H242 PolarHBondContact O-N 3.18Å; H242-A246 WeakPolarHBondContact O-CB 3.37Å; H242-A246 PolarHBondContact O-N 3.02Å |
| 243 | V | 85.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.9 | -47.3 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | V165 V167 F240 D241 K245 A246 I247 P261 | V165-V243 HydrophobicContact CB-CG2 4.22Å; V165-V243 HydrophobicContact CG2-CB 4.39Å; V165-V243 HydrophobicContact CG2-CG1 4.05Å; V165-V243 HydrophobicContact CG2-CG2 4.02Å; V167-V243 HydrophobicContact CG2-CG2 4.12Å; F240-V243 HydrophobicContact CD1-CB 4.28Å; F240-V243 HydrophobicContact CD2-CB 3.95Å; F240-V243 HydrophobicContact CD2-CG1 4.44Å; F240-V243 HydrophobicContact CD2-CG2 3.78Å; F240-V243 HydrophobicContact CE1-CB 4.1Å; F240-V243 HydrophobicContact CE1-CG1 4.05Å; F240-V243 HydrophobicContact CE2-CB 3.78Å; F240-V243 HydrophobicContact CE2-CG1 3.76Å; F240-V243 HydrophobicContact CE2-CG2 3.77Å; F240-V243 HydrophobicContact CG-CB 4.21Å; F240-V243 HydrophobicContact CG-CG2 4.4Å; F240-V243 HydrophobicContact CZ-CB 3.85Å; F240-V243 HydrophobicContact CZ-CG1 3.53Å; F240-V243 HydrophobicContact CZ-CG2 4.35Å; F240-V243 WeakPolarHBondContact O-CA 3.36Å; F240-V243 WeakPolarHBondContact O-CB 3.33Å; F240-V243 PolarHBondContact O-N 2.99Å; D241-V243 VanDerWaalsContact C-N 3.28Å; D241-V243 PolarHBondContact O-N 3.1Å; V243-K245 VanDerWaalsContact C-N 3.3Å; V243-K245 PolarHBondContact O-N 3.06Å; V243-A246 PolarHBondContact O-N 3.23Å; V243-A246 VanDerWaalsContact O-N 3.15Å; V243-I247 HydrophobicContact CG1-CD1 3.81Å; V243-I247 HydrophobicContact CG1-CG1 4.36Å; V243-I247 WeakPolarHBondContact O-CG1 3.42Å; V243-I247 PolarHBondContact O-N 3.04Å; V243-P261 HydrophobicContact CG1-CB 4.12Å; V243-P261 HydrophobicContact CG1-CG 3.57Å |
| 244 | K | 83.2 | Confident | 72.9 | Confident | 23 Ų | 23 | 81 Ų | 81 | 10% | 0.1 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 175.7 | -62 | -178.5 | -165 | 145 | 0 | 111.2 | L221 D238 F240 D241 I247 K248 | L221-K244 HydrophobicContact CB-CG 4.45Å; L221-K244 WeakPolarHBondContact O-CE 3.27Å; D238-K244 IonicContact OD2-NZ 3.65Å; D238-K244 PolarHBondContact OD2-NZ 3.23Å; F240-K244 HydrophobicContact CD1-CG 3.8Å; F240-K244 HydrophobicContact CE1-CG 4.22Å; F240-K244 PolarHBondContact O-N 2.82Å; F240-K244 VanDerWaalsContact O-N 3.09Å; D241-K244 PolarHBondContact O-N 3.49Å; D241-K244 WeakPolarHBondContact OD1-CD 3.28Å; D241-K244 IonicContact OD1-NZ 3.87Å; D241-K244 PolarHBondContact OD1-NZ 3.37Å; K244-I247 PolarHBondContact O-N 3.32Å; K244-K248 WeakPolarHBondContact O-CB 3.45Å; K244-K248 VanDerWaalsContact O-CG 3.28Å; K244-K248 WeakPolarHBondContact O-CG 3.35Å; K244-K248 PolarHBondContact O-N 2.88Å |
| 245 | K | 84.7 | Confident | 74.6 | Confident | 145 Ų | 145 | 80.3 Ų | 80.3 | 63% | 0.63 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 176.8 | -75.2 | 170.8 | -176.6 | 167.3 | 0 | 111.5 | D241 V243 K249 | D241-K245 WeakPolarHBondContact O-CB 3.2Å; D241-K245 VanDerWaalsContact O-CG 3.27Å; D241-K245 WeakPolarHBondContact O-CG 3.4Å; D241-K245 PolarHBondContact O-N 2.9Å; V243-K245 VanDerWaalsContact C-N 3.3Å; V243-K245 PolarHBondContact O-N 3.06Å; K245-K249 VanDerWaalsContact O-CB 3.3Å; K245-K249 WeakPolarHBondContact O-CB 3.31Å; K245-K249 PolarHBondContact O-N 2.81Å |
| 246 | A | 85.3 | Confident | 75.8 | Confident | 20 Ų | 20 | 82.6 Ų | 82.6 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L163 V165 H242 V243 K249 H250 | L163-A246 HydrophobicContact CD2-CB 4.37Å; V165-A246 HydrophobicContact CG1-CB 3.65Å; H242-A246 WeakPolarHBondContact O-CB 3.37Å; H242-A246 PolarHBondContact O-N 3.02Å; V243-A246 PolarHBondContact O-N 3.23Å; V243-A246 VanDerWaalsContact O-N 3.15Å; A246-K249 PolarHBondContact O-N 3.14Å; A246-H250 WeakPolarHBondContact O-CB 3.47Å; A246-H250 PolarHBondContact O-N 2.9Å |
| 247 | I | 83 | Confident | 76.8 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 177 | -69 | 170.7 | 0 | 0 | 0 | 110.6 | L163 L221 V243 K244 K249 H250 F251 F257 Y260 P261 | L163-I247 HydrophobicContact CD1-CD1 4.27Å; L163-I247 HydrophobicContact CD1-CG1 3.63Å; L163-I247 HydrophobicContact CD2-CG1 4.05Å; L221-I247 HydrophobicContact CD1-CG2 4.37Å; L221-I247 HydrophobicContact CD2-CD1 3.47Å; L221-I247 VanDerWaalsContact CD2-CD1 3.47Å; V243-I247 HydrophobicContact CG1-CD1 3.81Å; V243-I247 HydrophobicContact CG1-CG1 4.36Å; V243-I247 WeakPolarHBondContact O-CG1 3.42Å; V243-I247 PolarHBondContact O-N 3.04Å; K244-I247 PolarHBondContact O-N 3.32Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 2.9Å; I247-H250 PolarHBondContact O-N 2.82Å; I247-H250 VanDerWaalsContact O-N 3.14Å; I247-F251 HydrophobicContact CG2-CD2 3.52Å; I247-F251 HydrophobicContact CG2-CE2 3.46Å; I247-F251 VanDerWaalsContact CG2-CE2 3.46Å; I247-F251 WeakPolarHBondContact O-CD2 3.31Å; I247-F251 PolarHBondContact O-N 2.93Å; I247-F257 HydrophobicContact CG2-CE2 4.2Å; I247-F257 HydrophobicContact CG2-CZ 4.37Å; I247-Y260 HydrophobicContact CD1-CD2 4.05Å; I247-Y260 HydrophobicContact CD1-CG 4.49Å; I247-P261 HydrophobicContact CD1-CG 4.06Å |
| 248 | K | 82 | Confident | 77.6 | Confident | 139 Ų | 139 | 71.3 Ų | 71.3 | 60% | 0.604 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.3 | -42.6 | 176.8 | -73.8 | 176.4 | -179.5 | -179 | 0 | 112 | K244 H250 A252 | K244-K248 WeakPolarHBondContact O-CB 3.45Å; K244-K248 VanDerWaalsContact O-CG 3.28Å; K244-K248 WeakPolarHBondContact O-CG 3.35Å; K244-K248 PolarHBondContact O-N 2.88Å; K248-H250 VanDerWaalsContact C-N 3.35Å; K248-H250 PolarHBondContact O-N 3.25Å; K248-A252 VanDerWaalsContact O-CB 3.29Å; K248-A252 WeakPolarHBondContact O-CB 3.34Å; K248-A252 PolarHBondContact O-N 3.28Å |
| 249 | K | 83 | Confident | 78.4 | Confident | 139 Ų | 139 | 73 Ų | 73 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 176.7 | -174 | -179.7 | -177.1 | 177.9 | 0 | 112.3 | K245 A246 I247 K253 | K245-K249 VanDerWaalsContact O-CB 3.3Å; K245-K249 WeakPolarHBondContact O-CB 3.31Å; K245-K249 PolarHBondContact O-N 2.81Å; A246-K249 PolarHBondContact O-N 3.14Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 2.9Å; K249-K253 WeakPolarHBondContact O-CG 3.4Å; K249-K253 PolarHBondContact O-N 2.84Å |
| 250 | H | 80.1 | Confident | 78.8 | Confident | 38 Ų | 38 | 68 Ų | 68 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.9 | -43 | 179.8 | -161.3 | 93.8 | 0 | 0 | 0 | 111.6 | L163 A246 I247 K248 A252 K253 H255 F257 | L163-H250 HydrophobicContact CD2-CB 4.07Å; A246-H250 WeakPolarHBondContact O-CB 3.47Å; A246-H250 PolarHBondContact O-N 2.9Å; I247-H250 PolarHBondContact O-N 2.82Å; I247-H250 VanDerWaalsContact O-N 3.14Å; K248-H250 VanDerWaalsContact C-N 3.35Å; K248-H250 PolarHBondContact O-N 3.25Å; H250-A252 VanDerWaalsContact C-N 3.34Å; H250-A252 PolarHBondContact O-N 3.42Å; H250-K253 WeakPolarHBondContact O-CB 3.48Å; H250-K253 PolarHBondContact O-N 2.98Å; H250-K253 VanDerWaalsContact O-N 3.16Å; H250-H255 WeakPolarHBondContact CD2-CB 3.16Å; H250-H255 AromaticContact CE1-ND1 3.48Å; H250-H255 PolarHBondContact CE1-ND1 3.06Å; H250-H255 AromaticContact ND1-ND1 3.81Å; H250-H255 WeakPolarHBondContact NE2-CB 2.86Å; H250-H255 AromaticContact NE2-CG 3.76Å; H250-H255 AromaticContact NE2-ND1 3.63Å; H250-H255 PolarHBondContact O-N 2.89Å; H250-F257 HydrophobicContact CB-CE1 4.39Å; H250-F257 HydrophobicContact CB-CE2 4.29Å; H250-F257 HydrophobicContact CB-CZ 3.61Å; H250-F257 AromaticContact CD2-CE1 3.43Å; H250-F257 VanDerWaalsContact CD2-CE1 3.43Å; H250-F257 WeakPolarHBondContact CD2-CE1 3.44Å; H250-F257 AromaticContact CD2-CE2 3.8Å; H250-F257 AromaticContact CD2-CZ 3.25Å; H250-F257 WeakPolarHBondContact CD2-CZ 3.48Å; H250-F257 AromaticContact CG-CE1 3.97Å; H250-F257 AromaticContact CG-CZ 3.61Å; H250-F257 AromaticContact NE2-CE1 3.93Å |
| 251 | F | 77.5 | Confident | 78.9 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 170.4 | -85.9 | -63.8 | 0 | 0 | 0 | 112 | L218 I247 K253 G254 F257 | L218-F251 HydrophobicContact CD2-CE2 4.27Å; I247-F251 HydrophobicContact CG2-CD2 3.52Å; I247-F251 HydrophobicContact CG2-CE2 3.46Å; I247-F251 VanDerWaalsContact CG2-CE2 3.46Å; I247-F251 WeakPolarHBondContact O-CD2 3.31Å; I247-F251 PolarHBondContact O-N 2.93Å; F251-K253 PolarHBondContact O-N 2.96Å; F251-G254 PolarHBondContact O-N 3.15Å; F251-F257 HydrophobicContact CD1-CD2 4.29Å; F251-F257 HydrophobicContact CD1-CE2 4.18Å; F251-F257 HydrophobicContact CD2-CD2 4.26Å; F251-F257 AromaticContact CD2-CE2 3.62Å; F251-F257 HydrophobicContact CD2-CE2 3.62Å; F251-F257 AromaticContact CE1-CD2 3.76Å; F251-F257 HydrophobicContact CE1-CD2 3.76Å; F251-F257 HydrophobicContact CE1-CE2 4.05Å; F251-F257 AromaticContact CE2-CD2 3.72Å; F251-F257 HydrophobicContact CE2-CD2 3.72Å; F251-F257 AromaticContact CE2-CE2 3.46Å; F251-F257 HydrophobicContact CE2-CE2 3.46Å; F251-F257 VanDerWaalsContact CE2-CE2 3.46Å; F251-F257 AromaticContact CG-CE2 3.98Å; F251-F257 HydrophobicContact CG-CE2 3.98Å; F251-F257 AromaticContact CZ-CD2 3.45Å; F251-F257 HydrophobicContact CZ-CD2 3.45Å; F251-F257 VanDerWaalsContact CZ-CD2 3.45Å; F251-F257 AromaticContact CZ-CE2 3.69Å; F251-F257 HydrophobicContact CZ-CE2 3.69Å |
| 252 | A | 80 | Confident | 79.1 | Confident | 89 Ų | 89 | 66 Ų | 66 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -23.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K248 H250 G254 | K248-A252 VanDerWaalsContact O-CB 3.29Å; K248-A252 WeakPolarHBondContact O-CB 3.34Å; K248-A252 PolarHBondContact O-N 3.28Å; H250-A252 VanDerWaalsContact C-N 3.34Å; H250-A252 PolarHBondContact O-N 3.42Å; A252-G254 VanDerWaalsContact C-N 3.27Å |
| 253 | K | 81 | Confident | 79.2 | Confident | 136 Ų | 136 | 62.8 Ų | 62.8 | 59% | 0.591 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.2 | 173.1 | -73.4 | 178 | 176.1 | -168.4 | 0 | 113.6 | K249 H250 F251 | K249-K253 WeakPolarHBondContact O-CG 3.4Å; K249-K253 PolarHBondContact O-N 2.84Å; H250-K253 WeakPolarHBondContact O-CB 3.48Å; H250-K253 PolarHBondContact O-N 2.98Å; H250-K253 VanDerWaalsContact O-N 3.16Å; F251-K253 PolarHBondContact O-N 2.96Å |
| 254 | G | 74.6 | Confident | 79.2 | Confident | 69 Ų | 69 | 65 Ų | 65 | 71% | 0.711 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 15.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F251 A252 | F251-G254 PolarHBondContact O-N 3.15Å; A252-G254 VanDerWaalsContact C-N 3.27Å |
| 255 | H | 72.2 | Confident | 79.2 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 134.3 | 174.4 | -62.9 | 148 | 0 | 0 | 0 | 110.9 | H250 | H250-H255 WeakPolarHBondContact CD2-CB 3.16Å; H250-H255 AromaticContact CE1-ND1 3.48Å; H250-H255 PolarHBondContact CE1-ND1 3.06Å; H250-H255 AromaticContact ND1-ND1 3.81Å; H250-H255 WeakPolarHBondContact NE2-CB 2.86Å; H250-H255 AromaticContact NE2-CG 3.76Å; H250-H255 AromaticContact NE2-ND1 3.63Å; H250-H255 PolarHBondContact O-N 2.89Å |
| 256 | L | 66.8 | Low | 79.3 | Confident | 148 Ų | 148 | 61 Ų | 61 | 78% | 0.775 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 137.8 | 175.5 | -161.9 | 77.1 | 0 | 0 | 0 | 110.3 | T214 | T214-L256 HydrophobicContact CG2-CD1 4.4Š|
| 257 | F | 65.8 | Low | 79.4 | Confident | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 140.5 | 170.8 | -65.6 | -78.5 | 0 | 0 | 0 | 110.6 | L163 T214 I247 H250 F251 Y259 | L163-F257 HydrophobicContact CD1-CE1 4.36Å; L163-F257 HydrophobicContact CD2-CE1 3.58Å; L163-F257 HydrophobicContact CD2-CZ 3.65Å; L163-F257 HydrophobicContact CG-CE1 4.02Å; T214-F257 HydrophobicContact CG2-CB 3.89Å; T214-F257 WeakPolarHBondContact CG2-O 3.45Å; I247-F257 HydrophobicContact CG2-CE2 4.2Å; I247-F257 HydrophobicContact CG2-CZ 4.37Å; H250-F257 HydrophobicContact CB-CE1 4.39Å; H250-F257 HydrophobicContact CB-CE2 4.29Å; H250-F257 HydrophobicContact CB-CZ 3.61Å; H250-F257 AromaticContact CD2-CE1 3.43Å; H250-F257 VanDerWaalsContact CD2-CE1 3.43Å; H250-F257 WeakPolarHBondContact CD2-CE1 3.44Å; H250-F257 AromaticContact CD2-CE2 3.8Å; H250-F257 AromaticContact CD2-CZ 3.25Å; H250-F257 WeakPolarHBondContact CD2-CZ 3.48Å; H250-F257 AromaticContact CG-CE1 3.97Å; H250-F257 AromaticContact CG-CZ 3.61Å; H250-F257 AromaticContact NE2-CE1 3.93Å; F251-F257 HydrophobicContact CD1-CD2 4.29Å; F251-F257 HydrophobicContact CD1-CE2 4.18Å; F251-F257 HydrophobicContact CD2-CD2 4.26Å; F251-F257 AromaticContact CD2-CE2 3.62Å; F251-F257 HydrophobicContact CD2-CE2 3.62Å; F251-F257 AromaticContact CE1-CD2 3.76Å; F251-F257 HydrophobicContact CE1-CD2 3.76Å; F251-F257 HydrophobicContact CE1-CE2 4.05Å; F251-F257 AromaticContact CE2-CD2 3.72Å; F251-F257 HydrophobicContact CE2-CD2 3.72Å; F251-F257 AromaticContact CE2-CE2 3.46Å; F251-F257 HydrophobicContact CE2-CE2 3.46Å; F251-F257 VanDerWaalsContact CE2-CE2 3.46Å; F251-F257 AromaticContact CG-CE2 3.98Å; F251-F257 HydrophobicContact CG-CE2 3.98Å; F251-F257 AromaticContact CZ-CD2 3.45Å; F251-F257 HydrophobicContact CZ-CD2 3.45Å; F251-F257 VanDerWaalsContact CZ-CD2 3.45Å; F251-F257 AromaticContact CZ-CE2 3.69Å; F251-F257 HydrophobicContact CZ-CE2 3.69Å; F257-Y259 WeakPolarHBondContact CD1-O 3.21Å |
| 258 | T | 66.3 | Low | 79.6 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -71 | -44.4 | 152.7 | 42.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 259 | Y | 76.3 | Confident | 79.9 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | trans | -144.3 | 148 | 179.1 | -63.4 | -70.6 | 0 | 0 | 0 | 111.9 | C211 A212 F257 | C211-Y259 HydrophobicContact CB-CD1 4.25Å; C211-Y259 HydrophobicContact CB-CG 4.38Å; C211-Y259 WeakPolarHBondContact SG-CD1 3.13Å; A212-Y259 WeakPolarHBondContact O-CA 3.46Å; F257-Y259 WeakPolarHBondContact CD1-O 3.21Å | ||
| 260 | Y | 78.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.7 | 167.1 | 67.1 | -91.9 | 0 | 0 | 0 | 111.9 | C211 A212 Q213 H217 L218 L221 I247 | C211-Y260 CarbonylContact C-O 3.59Å; C211-Y260 WeakPolarHBondContact CA-O 3.49Å; C211-Y260 WeakPolarHBondContact CB-O 3.37Å; A212-Y260 HydrophobicContact CB-CE1 3.94Å; A212-Y260 HydrophobicContact CB-CE2 3.92Å; A212-Y260 PolarHBondContact N-O 2.8Å; A212-Y260 WeakPolarHBondContact O-CD1 3.45Å; A212-Y260 PolarHBondContact O-N 2.9Å; Q213-Y260 WeakPolarHBondContact O-CE1 3.41Å; H217-Y260 PolarHBondContact O-OH 2.86Å; L218-Y260 PolarHBondContact N-OH 3.21Å; L221-Y260 HydrophobicContact CD2-CD2 3.79Å; L221-Y260 HydrophobicContact CD2-CE2 3.76Å; L221-Y260 HydrophobicContact CG-CE2 4.1Å; I247-Y260 HydrophobicContact CD1-CD2 4.05Å; I247-Y260 HydrophobicContact CD1-CG 4.49Å |
| 261 | P | 85.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 138.1 | 177.9 | 9.5 | -15.7 | 0 | 0 | 0 | 112.6 | W160 L163 V167 F240 V243 I247 | W160-P261 HydrophobicContact CD2-CB 3.99Å; W160-P261 HydrophobicContact CD2-CG 3.77Å; W160-P261 HydrophobicContact CE3-CG 4.43Å; W160-P261 HydrophobicContact CG-CB 4.23Å; W160-P261 HydrophobicContact CG-CG 3.76Å; W160-P261 HydrophobicContact CZ2-CB 3.92Å; L163-P261 HydrophobicContact CD1-CG 3.57Å; V167-P261 HydrophobicContact CG2-CB 4.14Å; F240-P261 HydrophobicContact CZ-CB 4.31Å; V243-P261 HydrophobicContact CG1-CB 4.12Å; V243-P261 HydrophobicContact CG1-CG 3.57Å; I247-P261 HydrophobicContact CD1-CG 4.06Å |
| 262 | V | 85.8 | Confident | 81 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 151.1 | 176.4 | 167 | 0 | 0 | 0 | 0 | 110.2 | L210 C211 A212 M220 F240 H266 | L210-V262 PolarHBondContact O-N 3.36Å; L210-V262 VanDerWaalsContact O-N 3.17Å; C211-V262 VanDerWaalsContact C-CG2 3.47Å; A212-V262 HydrophobicContact CB-CG2 3.51Å; A212-V262 VanDerWaalsContact N-CG2 3.31Å; M220-V262 HydrophobicContact CB-CB 4.46Å; M220-V262 HydrophobicContact CB-CG1 3.96Å; M220-V262 HydrophobicContact CB-CG2 3.91Å; F240-V262 WeakPolarHBondContact CZ-O 3.26Å; V262-H266 HydrophobicContact CG1-CB 3.39Å |
| 263 | H | 85.7 | Confident | 81.3 | Confident | 20 Ų | 20 | 60 Ų | 60 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 137.4 | 177 | -177.6 | -86 | 0 | 0 | 0 | 110.7 | M220 D238 F240 S265 H266 | M220-H263 VanDerWaalsContact O-CB 3.29Å; M220-H263 WeakPolarHBondContact O-CB 3.22Å; M220-H263 PolarHBondContact O-N 3.48Å; D238-H263 IonicContact OD1-NE2 3.88Å; D238-H263 IonicContact OD2-CD2 2.81Å; D238-H263 IonicContact OD2-NE2 3.56Å; F240-H263 HydrophobicContact CD1-CB 4.15Å; F240-H263 AromaticContact CD1-CD2 3.68Å; F240-H263 HydrophobicContact CE1-CB 4.08Å; F240-H263 AromaticContact CG-CD2 3.81Å; H263-S265 WeakPolarHBondContact ND1-CB 3.24Å; H263-S265 PolarHBondContact ND1-N 3.24Å; H263-S265 PolarHBondContact ND1-OG 2.82Å; H263-S265 PolarHBondContact O-N 3.46Å; H263-H266 PolarHBondContact O-N 3.21Å |
| 264 | P | 85.7 | Confident | 81.6 | Confident | 46 Ų | 46 | 57 Ų | 57 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -52.8 | -27.5 | -173.5 | -29.8 | 35.2 | 0 | 0 | 0 | 115.9 | V167 Y169 F240 H266 V267 | V167-P264 HydrophobicContact CG1-CG 3.85Å; Y169-P264 HydrophobicContact CD1-CB 4.34Å; Y169-P264 HydrophobicContact CE1-CB 4.13Å; Y169-P264 HydrophobicContact CE1-CG 4.42Å; F240-P264 HydrophobicContact CD2-CG 4.23Å; P264-H266 VanDerWaalsContact C-N 3.29Å; P264-H266 PolarHBondContact O-N 2.97Å; P264-V267 PolarHBondContact O-N 3.22Å |
| 265 | S | 83.7 | Confident | 82.2 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -65.2 | -26.2 | 177 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | P223 V224 H263 | P223-S265 WeakPolarHBondContact CA-OG 3.48Å; V224-S265 PolarHBondContact N-OG 2.91Å; V224-S265 VanDerWaalsContact N-OG 3.15Å; H263-S265 WeakPolarHBondContact ND1-CB 3.24Å; H263-S265 PolarHBondContact ND1-N 3.24Å; H263-S265 PolarHBondContact ND1-OG 2.82Å; H263-S265 PolarHBondContact O-N 3.46Å |
| 266 | H | 85.5 | Confident | 82.7 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -90 | -11.3 | 178.8 | -67.8 | -78.2 | 0 | 0 | 0 | 112.1 | N209 M220 N222 V224 V262 H263 P264 K268 | N209-H266 PolarHBondContact ND2-O 3.11Å; M220-H266 WeakPolarHBondContact CE-CE1 3.37Å; M220-H266 HydrophobicContact SD-CB 4.41Å; N222-H266 PolarHBondContact O-CD2 3.04Å; N222-H266 PolarHBondContact O-NE2 3Å; V224-H266 WeakPolarHBondContact CG2-CE1 3.44Å; V224-H266 VanDerWaalsContact CG2-ND1 3.32Å; V224-H266 WeakPolarHBondContact CG2-ND1 3.38Å; V262-H266 HydrophobicContact CG1-CB 3.39Å; H263-H266 PolarHBondContact O-N 3.21Å; P264-H266 VanDerWaalsContact C-N 3.29Å; P264-H266 PolarHBondContact O-N 2.97Å; H266-K268 PolarHBondContact O-N 2.82Å |
| 267 | V | 88.1 | Confident | 83.5 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | trans | -71 | 129.6 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | Y169 W207 L210 P264 | Y169-V267 HydrophobicContact CD1-CB 4.46Å; Y169-V267 HydrophobicContact CD1-CG1 4.32Å; Y169-V267 HydrophobicContact CE1-CB 3.94Å; Y169-V267 HydrophobicContact CE1-CG1 4.02Å; Y169-V267 HydrophobicContact CE1-CG2 3.54Å; W207-V267 HydrophobicContact CE3-CG1 4.23Å; L210-V267 HydrophobicContact CD2-CG1 3.63Å; L210-V267 HydrophobicContact CD2-CG2 4.12Å; L210-V267 HydrophobicContact CG-CG1 4.4Å; P264-V267 PolarHBondContact O-N 3.22Å | ||
| 268 | K | 88 | Confident | 84.6 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 154.2 | -179 | -68.7 | 177.7 | -179.1 | 179.4 | 0 | 110.1 | W208 H266 | W208-K268 HydrophobicContact CD2-CB 3.74Å; W208-K268 HydrophobicContact CD2-CD 4.4Å; W208-K268 HydrophobicContact CE3-CB 4.33Å; W208-K268 HydrophobicContact CE3-CD 4.28Å; W208-K268 HydrophobicContact CG-CB 4.21Å; W208-K268 HydrophobicContact CH2-CB 4.26Å; W208-K268 HydrophobicContact CH2-CD 3.23Å; W208-K268 HydrophobicContact CH2-CG 4.37Å; W208-K268 HydrophobicContact CZ2-CB 3.63Å; W208-K268 HydrophobicContact CZ2-CD 3.32Å; W208-K268 HydrophobicContact CZ2-CG 4.11Å; W208-K268 HydrophobicContact CZ3-CD 3.73Å; W208-K268 PolarHBondContact N-O 3.27Å; W208-K268 PolarHBondContact O-N 3.34Å; H266-K268 PolarHBondContact O-N 2.82Å |
| 269 | R | 87.3 | Confident | 85.9 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 48% | 0.483 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.7 | 179 | 63.5 | -178.5 | 176.1 | -174.3 | -3.6 | 110.8 | I206 W207 | I206-R269 CarbonylContact O-C 3.5Å; I206-R269 VanDerWaalsContact O-CA 3.27Å; I206-R269 WeakPolarHBondContact O-CA 3.26Å; W207-R269 HydrophobicContact CE3-CB 4.35Å; W207-R269 HydrophobicContact CZ3-CB 4.5Å |
| 270 | S | 89.3 | Confident | 86.6 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.5 | 171.9 | -54.5 | 0 | 0 | 0 | 0 | 109.6 | F205 I206 W208 C308 | F205-S270 WeakPolarHBondContact CA-O 3.28Å; I206-S270 PolarHBondContact N-O 3.38Å; I206-S270 PolarHBondContact O-N 2.86Å; W208-S270 PolarHBondContact NE1-OG 3.04Å; S270-C308 WeakPolarHBondContact CB-O 3.45Å; S270-C308 PolarHBondContact OG-O 2.71Å |
| 271 | L | 87.9 | Confident | 87.4 | Confident | 93 Ų | 93 | 41.6 Ų | 41.6 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.5 | 177.6 | 173.1 | 63.5 | 0 | 0 | 0 | 110 | E203 F205 | E203-L271 HydrophobicContact CB-CD1 3.7Å; E203-L271 HydrophobicContact CG-CD1 4.08Å; F205-L271 HydrophobicContact CD1-CB 4.36Å; F205-L271 HydrophobicContact CD1-CD1 4.19Å; F205-L271 HydrophobicContact CE1-CB 4.14Å; F205-L271 HydrophobicContact CE1-CD1 3.76Å; F205-L271 HydrophobicContact CE1-CG 4.43Å; F205-L271 HydrophobicContact CZ-CD1 3.97Å |
| 272 | L | 87.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.2 | 165.7 | -57.7 | 173.8 | 0 | 0 | 0 | 108.2 | I204 I206 L291 W303 | I204-L272 HydrophobicContact CB-CB 4.1Å; I204-L272 HydrophobicContact CG2-CD1 4.31Å; I204-L272 PolarHBondContact N-O 3.4Å; I204-L272 PolarHBondContact O-N 3.27Å; I206-L272 HydrophobicContact CD1-CD1 3.95Å; I206-L272 HydrophobicContact CG1-CD1 3.76Å; I206-L272 HydrophobicContact CG1-CG 4.16Å; L272-L291 HydrophobicContact CD1-CD2 4.27Å; L272-W303 HydrophobicContact CB-CE3 4.42Å; L272-W303 HydrophobicContact CB-CH2 4.17Å; L272-W303 HydrophobicContact CB-CZ3 4.1Å; L272-W303 HydrophobicContact CD1-CD2 4.19Å; L272-W303 HydrophobicContact CD1-CE3 4.24Å; L272-W303 HydrophobicContact CD1-CG 4.37Å; L272-W303 HydrophobicContact CD2-CE3 4.28Å; L272-W303 HydrophobicContact CD2-CZ3 4.39Å |
| 273 | H | 86.3 | Confident | 88.3 | Confident | 97 Ų | 97 | 42.3 Ų | 42.3 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 120.4 | -179 | -165.3 | 173.4 | 0 | 0 | 0 | 109.6 | H275 | H273-H275 PolarHBondContact CD2-O 2.93Å; H273-H275 PolarHBondContact NE2-O 2.96Å |
| 274 | W | 87.4 | Confident | 88.6 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | trans | -146.5 | -42.4 | 174.6 | -177.6 | 95.4 | 0 | 0 | 0 | 111.1 | S276 V299 V301 W303 F317 | W274-S276 PolarHBondContact O-N 3.14Å; W274-V299 HydrophobicContact CH2-CB 4.09Å; W274-V299 HydrophobicContact CH2-CG1 3.49Å; W274-V299 VanDerWaalsContact CH2-CG1 3.49Å; W274-V299 HydrophobicContact CH2-CG2 4.07Å; W274-V299 HydrophobicContact CZ2-CG1 4.5Å; W274-V299 HydrophobicContact CZ3-CB 3.88Å; W274-V299 HydrophobicContact CZ3-CG1 3.54Å; W274-V299 HydrophobicContact CZ3-CG2 4.21Å; W274-V301 HydrophobicContact CD2-CG2 3.8Å; W274-V301 HydrophobicContact CE3-CG2 3.36Å; W274-V301 HydrophobicContact CG-CG2 4.47Å; W274-V301 HydrophobicContact CH2-CG2 4.45Å; W274-V301 HydrophobicContact CZ3-CG2 3.74Å; W274-W303 HydrophobicContact CB-CH2 3.31Å; W274-W303 HydrophobicContact CB-CZ2 3.74Å; W274-W303 HydrophobicContact CB-CZ3 4.31Å; W274-W303 HydrophobicContact CG-CH2 4.37Å; W274-F317 HydrophobicContact CH2-CD2 4.17Å; W274-F317 HydrophobicContact CH2-CG 4.38Å; W274-F317 HydrophobicContact CZ2-CB 4.29Å; W274-F317 HydrophobicContact CZ2-CD1 4.08Å; W274-F317 AromaticContact CZ2-CD2 3.75Å; W274-F317 HydrophobicContact CZ2-CD2 3.75Å; W274-F317 HydrophobicContact CZ2-CE1 4.38Å; W274-F317 HydrophobicContact CZ2-CE2 4.08Å; W274-F317 AromaticContact CZ2-CG 3.77Å; W274-F317 HydrophobicContact CZ2-CG 3.77Å; W274-F317 HydrophobicContact CZ2-CZ 4.38Å | ||
| 275 | H | 86.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -60.4 | 127.7 | 174.4 | -62.9 | -76.6 | 0 | 0 | 0 | 109.4 | G202 H273 V277 V279 S293 E297 | G202-H275 WeakPolarHBondContact CA-O 3.49Å; H273-H275 PolarHBondContact CD2-O 2.93Å; H273-H275 PolarHBondContact NE2-O 2.96Å; H275-V277 VanDerWaalsContact C-N 3.27Å; H275-V277 WeakPolarHBondContact CB-O 3.46Å; H275-V279 HydrophobicContact CB-CG2 4.32Å; H275-S293 VanDerWaalsContact NE2-CB 3.35Å; H275-S293 WeakPolarHBondContact NE2-CB 3.46Å; H275-S293 PolarHBondContact NE2-OG 2.93Å; H275-E297 IonicContact CE1-OE1 2.69Å; H275-E297 IonicContact CG-OE1 3.02Å; H275-E297 IonicContact ND1-OE1 3.86Å; H275-E297 PolarHBondContact ND1-OE1 3.5Å; H275-E297 IonicContact ND1-OE2 3.54Å | ||
| 276 | S | 83 | Confident | 89.1 | Confident | 78 Ų | 78 | 39.9 Ų | 39.9 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -81.9 | -11.7 | 176.2 | 58 | 0 | 0 | 0 | 0 | 112.9 | W274 | W274-S276 PolarHBondContact O-N 3.14Š|
| 277 | V | 83.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -134.2 | 177.7 | -178.5 | -163.7 | 0 | 0 | 0 | 0 | 108.4 | G202 H275 V279 L296 V436 | G202-V277 WeakPolarHBondContact CA-O 3.43Å; G202-V277 PolarHBondContact N-O 2.92Å; H275-V277 VanDerWaalsContact C-N 3.27Å; H275-V277 WeakPolarHBondContact CB-O 3.46Å; V277-V279 PolarHBondContact O-N 3.04Å; V277-L296 HydrophobicContact CB-CB 4.49Å; V277-L296 HydrophobicContact CG1-CB 4.18Å; V277-L296 HydrophobicContact CG1-CD2 3.81Å; V277-V436 HydrophobicContact CG1-CG1 4.27Å; V277-V436 HydrophobicContact CG2-CB 4.37Å; V277-V436 HydrophobicContact CG2-CG1 4.11Å |
| 278 | Q | 88.8 | Confident | 89.2 | Confident | 43 Ų | 43 | 40.5 Ų | 40.5 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | trans | -41.5 | 129.6 | 177.8 | 175 | 170.9 | -11.8 | 0 | 0 | 114.6 | T184 G200 L296 | T184-Q278 HydrophobicContact CG2-CG 3.89Å; T184-Q278 VanDerWaalsContact CG2-NE2 3.3Å; G200-Q278 WeakPolarHBondContact O-CA 3.38Å; G200-Q278 PolarHBondContact O-N 3.02Å; Q278-L296 HydrophobicContact CB-CB 4.46Å; Q278-L296 PolarHBondContact O-N 2.94Å | ||
| 279 | V | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.3 | 165.9 | -166.9 | 0 | 0 | 0 | 0 | 108.4 | T184 N199 I204 H275 V277 L282 G294 | T184-V279 WeakPolarHBondContact CB-O 3.46Å; T184-V279 PolarHBondContact OG1-O 3.41Å; N199-V279 PolarHBondContact O-N 3.47Å; N199-V279 VanDerWaalsContact O-N 3.07Å; I204-V279 HydrophobicContact CD1-CG1 4.38Å; I204-V279 HydrophobicContact CD1-CG2 4.32Å; I204-V279 HydrophobicContact CG1-CG1 4.32Å; I204-V279 HydrophobicContact CG1-CG2 3.82Å; H275-V279 HydrophobicContact CB-CG2 4.32Å; V277-V279 PolarHBondContact O-N 3.04Å; V279-L282 HydrophobicContact CG1-CD2 4.17Å; V279-L282 HydrophobicContact CG1-CG 4.15Å; V279-G294 WeakPolarHBondContact CG1-O 3.42Å |
| 280 | T | 92.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -30.7 | -175.8 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | G294 L296 V325 | T280-G294 PolarHBondContact N-O 3.04Å; T280-G294 PolarHBondContact OG1-O 3.4Å; T280-G294 VanDerWaalsContact OG1-O 3.09Å; T280-L296 HydrophobicContact CG2-CB 4.14Å; T280-L296 HydrophobicContact CG2-CD1 4.24Å; T280-V325 WeakPolarHBondContact CB-O 3.4Å; T280-V325 PolarHBondContact OG1-O 2.79Å |
| 281 | S | 94.8 | Very high | 89.6 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 146.9 | -177.7 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | S293 G294 S327 V328 | S281-S293 WeakPolarHBondContact O-CA 3.28Å; S281-G294 PolarHBondContact N-O 2.83Å; S281-G294 PolarHBondContact O-N 2.97Å; S281-S327 WeakPolarHBondContact OG-CA 3.49Å; S281-V328 PolarHBondContact OG-N 3.03Å |
| 282 | L | 95.2 | Very high | 89.9 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.1 | 174.5 | -74.2 | 170.6 | 0 | 0 | 0 | 109.7 | A187 A196 I204 V279 L291 L292 S293 | A187-L282 HydrophobicContact CB-CB 3.79Å; A196-L282 HydrophobicContact CB-CD1 4.24Å; I204-L282 HydrophobicContact CD1-CD2 3.92Å; I204-L282 HydrophobicContact CG1-CD2 4.22Å; I204-L282 HydrophobicContact CG2-CD1 4.24Å; I204-L282 HydrophobicContact CG2-CD2 4.16Å; V279-L282 HydrophobicContact CG1-CD2 4.17Å; V279-L282 HydrophobicContact CG1-CG 4.15Å; L282-L291 HydrophobicContact CD2-CD1 4.22Å; L282-L291 HydrophobicContact CD2-CD2 4.3Å; L282-L291 HydrophobicContact CD2-CG 4.37Å; L282-L292 WeakPolarHBondContact CA-O 3.48Å; L282-S293 VanDerWaalsContact CD2-CB 3.46Å |
| 283 | C | 94.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 129.7 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | L292 V328 S330 | C283-L292 PolarHBondContact N-O 2.84Å; C283-L292 WeakPolarHBondContact O-CA 3.11Å; C283-L292 WeakPolarHBondContact O-CB 3.46Å; C283-L292 PolarHBondContact O-N 2.62Å; C283-V328 VanDerWaalsContact CB-O 3.3Å; C283-V328 WeakPolarHBondContact CB-O 3.44Å; C283-S330 PolarHBondContact SG-N 2.76Å; C283-S330 VanDerWaalsContact SG-N 3.35Å |
| 284 | F | 93 | Very high | 90.6 | Very high | 11 Ų | 11 | 24 Ų | 24 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 147.4 | 166.2 | -73.5 | -84 | 0 | 0 | 0 | 110.3 | A187 A188 H189 I194 A196 L291 V305 | A187-F284 HydrophobicContact CB-CD2 3.81Å; A187-F284 HydrophobicContact CB-CE2 4Å; A188-F284 VanDerWaalsContact C-CD2 3.48Å; A188-F284 WeakPolarHBondContact O-CD2 3.4Å; H189-F284 HydrophobicContact CB-CD1 4.44Å; H189-F284 HydrophobicContact CB-CD2 4.17Å; H189-F284 HydrophobicContact CB-CE1 4.34Å; H189-F284 HydrophobicContact CB-CE2 4.07Å; H189-F284 HydrophobicContact CB-CG 4.34Å; H189-F284 HydrophobicContact CB-CZ 4.15Å; H189-F284 AromaticContact CD2-CD1 3.62Å; H189-F284 AromaticContact CD2-CE1 3.76Å; I194-F284 HydrophobicContact CG2-CZ 4.27Å; A196-F284 HydrophobicContact CB-CE2 3.8Å; A196-F284 HydrophobicContact CB-CZ 3.87Å; F284-L291 HydrophobicContact CD1-CB 4.02Å; F284-L291 HydrophobicContact CD1-CD1 4.01Å; F284-L291 HydrophobicContact CD2-CD1 4.02Å; F284-L291 HydrophobicContact CE1-CB 3.9Å; F284-L291 HydrophobicContact CE1-CD1 3.95Å; F284-L291 HydrophobicContact CE1-CG 4.38Å; F284-L291 HydrophobicContact CE2-CD1 3.96Å; F284-L291 HydrophobicContact CG-CD1 4.06Å; F284-L291 HydrophobicContact CZ-CD1 3.93Å; F284-V305 HydrophobicContact CD1-CG2 4.07Å; F284-V305 HydrophobicContact CE1-CG2 3.87Å |
| 285 | T | 92 | Very high | 90.7 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | trans | -63 | 151.1 | 166 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | C287 G288 T289 H290 L292 S330 | T285-C287 PolarHBondContact O-N 2.87Å; T285-C287 VanDerWaalsContact O-N 3.16Å; T285-G288 WeakPolarHBondContact O-CA 3.35Å; T285-G288 PolarHBondContact O-N 3.35Å; T285-T289 PolarHBondContact OG1-N 2.65Å; T285-H290 HydrophobicContact CG2-CB 3.83Å; T285-H290 PolarHBondContact N-O 3.17Å; T285-H290 PolarHBondContact OG1-N 2.97Å; T285-H290 PolarHBondContact OG1-O 2.92Å; T285-L292 HydrophobicContact CG2-CD1 4.38Å; T285-L292 HydrophobicContact CG2-CG 4.35Å; T285-S330 WeakPolarHBondContact CA-OG 3.29Å | ||
| 286 | S | 86.7 | Confident | 90.7 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 32% | 0.322 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.4 | -176.6 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | S330 E336 | S286-S330 PolarHBondContact N-OG 2.78Å; S286-S330 VanDerWaalsContact N-OG 3.12Å; S286-E336 PolarHBondContact OG-O 2.81Å |
| 287 | C | 87.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 18.9 Ų | 18.9 | 39% | 0.392 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.8 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | T285 T289 | T285-C287 PolarHBondContact O-N 2.87Å; T285-C287 VanDerWaalsContact O-N 3.16Å; C287-T289 VanDerWaalsContact C-N 3.35Å; C287-T289 HydrophobicContact CB-CG2 4.39Å; C287-T289 PolarHBondContact SG-OG1 2.84Å |
| 288 | G | 88.2 | Confident | 90.9 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 84.1 | 0 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H189 T285 H290 V305 | H189-G288 WeakPolarHBondContact NE2-CA 3.4Å; H189-G288 PolarHBondContact NE2-O 2.96Å; T285-G288 WeakPolarHBondContact O-CA 3.35Å; T285-G288 PolarHBondContact O-N 3.35Å; G288-H290 VanDerWaalsContact C-N 3.35Å; G288-H290 PolarHBondContact O-N 3.17Å; G288-V305 WeakPolarHBondContact O-CG2 3.5Å |
| 289 | T | 89.4 | Confident | 90.9 | Very high | 69 Ų | 69 | 17 Ų | 17 | 42% | 0.423 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -74.3 | -27.1 | -174.6 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | T285 C287 V305 | T285-T289 PolarHBondContact OG1-N 2.65Å; C287-T289 VanDerWaalsContact C-N 3.35Å; C287-T289 HydrophobicContact CB-CG2 4.39Å; C287-T289 PolarHBondContact SG-OG1 2.84Å; T289-V305 WeakPolarHBondContact O-CB 3.49Å; T289-V305 WeakPolarHBondContact O-CG2 3.42Å; T289-V305 PolarHBondContact O-N 2.76Å |
| 290 | H | 91.7 | Very high | 91 | Very high | 44 Ų | 44 | 17 Ų | 17 | 20% | 0.204 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.4 | -178.3 | -59.2 | 82.3 | 0 | 0 | 0 | 112.1 | T285 G288 K302 W303 | T285-H290 HydrophobicContact CG2-CB 3.83Å; T285-H290 PolarHBondContact N-O 3.17Å; T285-H290 PolarHBondContact OG1-N 2.97Å; T285-H290 PolarHBondContact OG1-O 2.92Å; G288-H290 VanDerWaalsContact C-N 3.35Å; G288-H290 PolarHBondContact O-N 3.17Å; H290-K302 HydrophobicContact CB-CG 4Å; H290-K302 WeakPolarHBondContact CD2-CE 3.28Å; H290-K302 WeakPolarHBondContact NE2-CE 3.49Å; H290-W303 CarbonylContact C-O 3.56Å; H290-W303 WeakPolarHBondContact CA-O 3.44Å; H290-W303 VanDerWaalsContact CB-O 3.26Å; H290-W303 WeakPolarHBondContact CB-O 3.48Å |
| 291 | L | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.3 | 166.3 | 174.7 | 67.2 | 0 | 0 | 0 | 109 | A196 I204 I206 L272 L282 F284 K302 W303 | A196-L291 HydrophobicContact CB-CD1 4.11Å; A196-L291 HydrophobicContact CB-CD2 3.96Å; I204-L291 HydrophobicContact CG2-CD2 4.11Å; I206-L291 HydrophobicContact CD1-CD2 3.65Å; L272-L291 HydrophobicContact CD1-CD2 4.27Å; L282-L291 HydrophobicContact CD2-CD1 4.22Å; L282-L291 HydrophobicContact CD2-CD2 4.3Å; L282-L291 HydrophobicContact CD2-CG 4.37Å; F284-L291 HydrophobicContact CD1-CB 4.02Å; F284-L291 HydrophobicContact CD1-CD1 4.01Å; F284-L291 HydrophobicContact CD2-CD1 4.02Å; F284-L291 HydrophobicContact CE1-CB 3.9Å; F284-L291 HydrophobicContact CE1-CD1 3.95Å; F284-L291 HydrophobicContact CE1-CG 4.38Å; F284-L291 HydrophobicContact CE2-CD1 3.96Å; F284-L291 HydrophobicContact CG-CD1 4.06Å; F284-L291 HydrophobicContact CZ-CD1 3.93Å; L291-K302 WeakPolarHBondContact O-CA 3.36Å; L291-W303 HydrophobicContact CB-CB 4.2Å; L291-W303 PolarHBondContact N-O 2.92Å; L291-W303 VanDerWaalsContact O-CD1 3.3Å; L291-W303 PolarHBondContact O-N 3.05Å |
| 292 | L | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.3 | 173.4 | -56.7 | 172.3 | 0 | 0 | 0 | 109 | L282 C283 T285 L300 V301 K302 V328 I339 F355 | L282-L292 WeakPolarHBondContact CA-O 3.48Å; C283-L292 PolarHBondContact N-O 2.84Å; C283-L292 WeakPolarHBondContact O-CA 3.11Å; C283-L292 WeakPolarHBondContact O-CB 3.46Å; C283-L292 PolarHBondContact O-N 2.62Å; T285-L292 HydrophobicContact CG2-CD1 4.38Å; T285-L292 HydrophobicContact CG2-CG 4.35Å; L292-L300 HydrophobicContact CB-CD1 4.36Å; L292-V301 CarbonylContact C-O 3.6Å; L292-V301 VanDerWaalsContact CA-O 3.32Å; L292-V301 WeakPolarHBondContact CA-O 3.34Å; L292-K302 HydrophobicContact CD2-CB 3.8Å; L292-K302 HydrophobicContact CD2-CD 4.31Å; L292-K302 HydrophobicContact CD2-CG 3.93Å; L292-V328 HydrophobicContact CB-CG1 3.94Å; L292-V328 HydrophobicContact CD1-CG1 3.95Å; L292-I339 HydrophobicContact CD1-CB 4.43Å; L292-I339 HydrophobicContact CD1-CD1 3.68Å; L292-I339 HydrophobicContact CD1-CG1 3.83Å; L292-I339 HydrophobicContact CD1-CG2 3.76Å; L292-I339 HydrophobicContact CD2-CD1 4.05Å; L292-F355 HydrophobicContact CD2-CE1 4.09Å; L292-F355 HydrophobicContact CD2-CZ 4.24Å |
| 293 | S | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.8 | 174.7 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | H275 S281 L282 L300 V301 W303 | H275-S293 VanDerWaalsContact NE2-CB 3.35Å; H275-S293 WeakPolarHBondContact NE2-CB 3.46Å; H275-S293 PolarHBondContact NE2-OG 2.93Å; S281-S293 WeakPolarHBondContact O-CA 3.28Å; L282-S293 VanDerWaalsContact CD2-CB 3.46Å; S293-L300 CarbonylContact O-C 3.57Å; S293-L300 WeakPolarHBondContact O-CA 3.3Å; S293-V301 PolarHBondContact N-O 2.92Å; S293-V301 PolarHBondContact O-N 3.27Å; S293-W303 PolarHBondContact OG-NE1 3.03Å |
| 294 | G | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V279 T280 S281 | V279-G294 WeakPolarHBondContact CG1-O 3.42Å; T280-G294 PolarHBondContact N-O 3.04Å; T280-G294 PolarHBondContact OG1-O 3.4Å; T280-G294 VanDerWaalsContact OG1-O 3.09Å; S281-G294 PolarHBondContact N-O 2.83Å; S281-G294 PolarHBondContact O-N 2.97Å |
| 295 | G | 89.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 160.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E297 G298 V299 V325 | G295-E297 VanDerWaalsContact CA-OE2 3.3Å; G295-E297 WeakPolarHBondContact CA-OE2 3.24Å; G295-E297 PolarHBondContact O-N 3.24Å; G295-G298 PolarHBondContact O-N 3.43Å; G295-G298 VanDerWaalsContact O-N 3.11Å; G295-V299 PolarHBondContact N-O 3.48Å; G295-V325 PolarHBondContact O-N 3.12Å |
| 296 | L | 86.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -27.4 | 173.5 | -170.2 | 67.4 | 0 | 0 | 0 | 112.3 | V277 Q278 T280 G298 P324 H370 | V277-L296 HydrophobicContact CB-CB 4.49Å; V277-L296 HydrophobicContact CG1-CB 4.18Å; V277-L296 HydrophobicContact CG1-CD2 3.81Å; Q278-L296 HydrophobicContact CB-CB 4.46Å; Q278-L296 PolarHBondContact O-N 2.94Å; T280-L296 HydrophobicContact CG2-CB 4.14Å; T280-L296 HydrophobicContact CG2-CD1 4.24Å; L296-G298 PolarHBondContact O-N 3.5Å; L296-P324 HydrophobicContact CD1-CB 3.72Å; L296-P324 HydrophobicContact CD1-CG 3.83Å; L296-P324 WeakPolarHBondContact O-CA 3.32Å; L296-P324 WeakPolarHBondContact O-CB 3.24Å; L296-P324 WeakPolarHBondContact O-CG 3.43Å; L296-H370 WeakPolarHBondContact CD1-CD2 3.44Å; L296-H370 VanDerWaalsContact CD1-NE2 3.33Å; L296-H370 WeakPolarHBondContact CD1-NE2 3.22Å |
| 297 | E | 83.8 | Confident | 88.1 | Confident | 41 Ų | 41 | 18.8 Ų | 18.8 | 19% | 0.192 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -0.4 | 176.2 | 74.7 | -73.3 | 173.2 | 0 | 0 | 114 | H275 G295 V299 V436 | H275-E297 IonicContact CE1-OE1 2.69Å; H275-E297 IonicContact CG-OE1 3.02Å; H275-E297 IonicContact ND1-OE1 3.86Å; H275-E297 PolarHBondContact ND1-OE1 3.5Å; H275-E297 IonicContact ND1-OE2 3.54Å; G295-E297 VanDerWaalsContact CA-OE2 3.3Å; G295-E297 WeakPolarHBondContact CA-OE2 3.24Å; G295-E297 PolarHBondContact O-N 3.24Å; E297-V299 HydrophobicContact CG-CB 4.1Å; E297-V299 HydrophobicContact CG-CG2 3.67Å; E297-V436 HydrophobicContact CB-CG2 4.5Å |
| 298 | G | 86.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 74.6 | 40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G295 L296 F321 Y323 | G295-G298 PolarHBondContact O-N 3.43Å; G295-G298 VanDerWaalsContact O-N 3.11Å; L296-G298 PolarHBondContact O-N 3.5Å; G298-F321 WeakPolarHBondContact O-CD2 3.46Å; G298-F321 PolarHBondContact O-N 3.24Å; G298-Y323 WeakPolarHBondContact CA-O 3.27Å |
| 299 | V | 89.4 | Confident | 86 | Confident | 12 Ų | 12 | 20.1 Ų | 20.1 | 7% | 0.073 | 11% | 0.106 | C | C | . | . | trans | -122.9 | 138.6 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 110 | W274 G295 E297 V301 F317 P319 | W274-V299 HydrophobicContact CH2-CB 4.09Å; W274-V299 HydrophobicContact CH2-CG1 3.49Å; W274-V299 VanDerWaalsContact CH2-CG1 3.49Å; W274-V299 HydrophobicContact CH2-CG2 4.07Å; W274-V299 HydrophobicContact CZ2-CG1 4.5Å; W274-V299 HydrophobicContact CZ3-CB 3.88Å; W274-V299 HydrophobicContact CZ3-CG1 3.54Å; W274-V299 HydrophobicContact CZ3-CG2 4.21Å; G295-V299 PolarHBondContact N-O 3.48Å; E297-V299 HydrophobicContact CG-CB 4.1Å; E297-V299 HydrophobicContact CG-CG2 3.67Å; V299-V301 HydrophobicContact CG1-CG2 4.14Å; V299-F317 HydrophobicContact CG1-CB 4.14Å; V299-F317 HydrophobicContact CG1-CD2 4.45Å; V299-P319 HydrophobicContact CG1-CB 4.48Å; V299-P319 HydrophobicContact CG2-CB 4Å | ||
| 300 | L | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.2 | 168.6 | 178.7 | 68.1 | 0 | 0 | 0 | 109.6 | L292 S293 F317 L318 F321 V328 V341 F355 | L292-L300 HydrophobicContact CB-CD1 4.36Å; S293-L300 CarbonylContact O-C 3.57Å; S293-L300 WeakPolarHBondContact O-CA 3.3Å; L300-F317 CarbonylContact O-C 3.52Å; L300-F317 WeakPolarHBondContact O-CA 2.99Å; L300-L318 PolarHBondContact N-O 3.01Å; L300-L318 VanDerWaalsContact N-O 3.07Å; L300-L318 PolarHBondContact O-N 2.77Å; L300-F321 HydrophobicContact CB-CE2 3.72Å; L300-F321 HydrophobicContact CB-CZ 4.39Å; L300-V328 HydrophobicContact CD1-CB 4.41Å; L300-V328 HydrophobicContact CD1-CG1 3.83Å; L300-V328 HydrophobicContact CD1-CG2 3.7Å; L300-V341 HydrophobicContact CD2-CG2 3.88Å; L300-F355 HydrophobicContact CD2-CD1 4.01Å; L300-F355 HydrophobicContact CD2-CE1 3.39Å; L300-F355 HydrophobicContact CD2-CE2 4.49Å; L300-F355 HydrophobicContact CD2-CZ 3.63Å; L300-F355 HydrophobicContact CG-CE1 4.02Å; L300-F355 HydrophobicContact CG-CZ 3.74Å |
| 301 | V | 91.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.1 | 175.7 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | W274 L292 S293 V299 W303 F317 | W274-V301 HydrophobicContact CD2-CG2 3.8Å; W274-V301 HydrophobicContact CE3-CG2 3.36Å; W274-V301 HydrophobicContact CG-CG2 4.47Å; W274-V301 HydrophobicContact CH2-CG2 4.45Å; W274-V301 HydrophobicContact CZ3-CG2 3.74Å; L292-V301 CarbonylContact C-O 3.6Å; L292-V301 VanDerWaalsContact CA-O 3.32Å; L292-V301 WeakPolarHBondContact CA-O 3.34Å; S293-V301 PolarHBondContact N-O 2.92Å; S293-V301 PolarHBondContact O-N 3.27Å; V299-V301 HydrophobicContact CG1-CG2 4.14Å; V301-W303 HydrophobicContact CB-CZ2 4.3Å; V301-W303 HydrophobicContact CG1-CD2 3.99Å; V301-W303 VanDerWaalsContact CG1-CE2 3.5Å; V301-W303 HydrophobicContact CG1-CG 4.43Å; V301-W303 HydrophobicContact CG1-CH2 4.44Å; V301-W303 HydrophobicContact CG1-CZ2 3.76Å; V301-F317 HydrophobicContact CB-CB 4.44Å; V301-F317 HydrophobicContact CG1-CB 4.43Å; V301-F317 HydrophobicContact CG2-CB 4.04Å |
| 302 | K | 92.1 | Very high | 81.4 | Confident | 30 Ų | 30 | 23.5 Ų | 23.5 | 13% | 0.13 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.2 | 171.8 | 176.5 | 174 | -180 | -179.7 | 0 | 108.9 | H290 L291 L292 R315 R316 G353 F355 | H290-K302 HydrophobicContact CB-CG 4Å; H290-K302 WeakPolarHBondContact CD2-CE 3.28Å; H290-K302 WeakPolarHBondContact NE2-CE 3.49Å; L291-K302 WeakPolarHBondContact O-CA 3.36Å; L292-K302 HydrophobicContact CD2-CB 3.8Å; L292-K302 HydrophobicContact CD2-CD 4.31Å; L292-K302 HydrophobicContact CD2-CG 3.93Å; K302-R315 WeakPolarHBondContact O-CA 3.3Å; K302-R316 PolarHBondContact N-O 2.95Å; K302-R316 PolarHBondContact O-N 3.44Å; K302-G353 PolarHBondContact NZ-O 3.41Å; K302-F355 HydrophobicContact CB-CE1 4.22Å; K302-F355 HydrophobicContact CB-CE2 3.88Å; K302-F355 HydrophobicContact CB-CZ 3.42Å; K302-F355 VanDerWaalsContact CB-CZ 3.42Å; K302-F355 HydrophobicContact CD-CE1 4.43Å; K302-F355 HydrophobicContact CD-CZ 4.33Å; K302-F355 HydrophobicContact CG-CZ 4.48Å |
| 303 | W | 90.7 | Very high | 79.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.7 | 179.4 | -49.5 | 88.1 | 0 | 0 | 0 | 109.2 | I204 L272 W274 H290 L291 S293 V301 R315 | I204-W303 HydrophobicContact CD1-CZ2 3.97Å; L272-W303 HydrophobicContact CB-CE3 4.42Å; L272-W303 HydrophobicContact CB-CH2 4.17Å; L272-W303 HydrophobicContact CB-CZ3 4.1Å; L272-W303 HydrophobicContact CD1-CD2 4.19Å; L272-W303 HydrophobicContact CD1-CE3 4.24Å; L272-W303 HydrophobicContact CD1-CG 4.37Å; L272-W303 HydrophobicContact CD2-CE3 4.28Å; L272-W303 HydrophobicContact CD2-CZ3 4.39Å; W274-W303 HydrophobicContact CB-CH2 3.31Å; W274-W303 HydrophobicContact CB-CZ2 3.74Å; W274-W303 HydrophobicContact CB-CZ3 4.31Å; W274-W303 HydrophobicContact CG-CH2 4.37Å; H290-W303 CarbonylContact C-O 3.56Å; H290-W303 WeakPolarHBondContact CA-O 3.44Å; H290-W303 VanDerWaalsContact CB-O 3.26Å; H290-W303 WeakPolarHBondContact CB-O 3.48Å; L291-W303 HydrophobicContact CB-CB 4.2Å; L291-W303 PolarHBondContact N-O 2.92Å; L291-W303 VanDerWaalsContact O-CD1 3.3Å; L291-W303 PolarHBondContact O-N 3.05Å; S293-W303 PolarHBondContact OG-NE1 3.03Å; V301-W303 HydrophobicContact CB-CZ2 4.3Å; V301-W303 HydrophobicContact CG1-CD2 3.99Å; V301-W303 VanDerWaalsContact CG1-CE2 3.5Å; V301-W303 HydrophobicContact CG1-CG 4.43Å; V301-W303 HydrophobicContact CG1-CH2 4.44Å; V301-W303 HydrophobicContact CG1-CZ2 3.76Å; W303-R315 HydrophobicContact CE3-CB 4.2Å |
| 304 | D | 88.4 | Confident | 78.6 | Confident | 36 Ų | 36 | 34.5 Ų | 34.5 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 132.2 | 164 | -166.7 | -43.8 | 0 | 0 | 0 | 108.5 | T306 D307 C308 | D304-T306 PolarHBondContact O-N 2.81Å; D304-T306 WeakPolarHBondContact OD1-CB 3.33Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.31Å; D304-T306 PolarHBondContact OD1-N 3.19Å; D304-T306 PolarHBondContact OD1-OG1 3Å; D304-D307 HydrophobicContact CB-CB 4.48Å; D304-D307 VanDerWaalsContact O-CB 3.29Å; D304-D307 WeakPolarHBondContact O-CB 3.4Å; D304-D307 PolarHBondContact O-N 2.95Å; D304-D307 VanDerWaalsContact O-N 3.12Å; D304-C308 PolarHBondContact O-SG 3.48Å |
| 305 | V | 83.1 | Confident | 77.8 | Confident | 15 Ų | 15 | 38 Ų | 38 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.8 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | F284 G288 T289 D307 C308 F309 | F284-V305 HydrophobicContact CD1-CG2 4.07Å; F284-V305 HydrophobicContact CE1-CG2 3.87Å; G288-V305 WeakPolarHBondContact O-CG2 3.5Å; T289-V305 WeakPolarHBondContact O-CB 3.49Å; T289-V305 WeakPolarHBondContact O-CG2 3.42Å; T289-V305 PolarHBondContact O-N 2.76Å; V305-D307 VanDerWaalsContact C-N 3.34Å; V305-C308 WeakPolarHBondContact O-CB 3.02Å; V305-C308 PolarHBondContact O-N 3.43Å; V305-F309 HydrophobicContact CG1-CE2 3.82Å; V305-F309 WeakPolarHBondContact O-CD2 3.24Å; V305-F309 WeakPolarHBondContact O-CE2 3.13Å |
| 306 | T | 75.8 | Confident | 77.6 | Confident | 78 Ų | 78 | 44 Ų | 44 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33 | 173.2 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | D304 C308 F309 G311 | D304-T306 PolarHBondContact O-N 2.81Å; D304-T306 WeakPolarHBondContact OD1-CB 3.33Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.31Å; D304-T306 PolarHBondContact OD1-N 3.19Å; D304-T306 PolarHBondContact OD1-OG1 3Å; T306-C308 PolarHBondContact O-N 3.45Å; T306-F309 PolarHBondContact O-N 3.25Å; T306-G311 WeakPolarHBondContact O-CA 3.16Å; T306-G311 PolarHBondContact O-N 3.38Å; T306-G311 VanDerWaalsContact O-N 3.13Å |
| 307 | D | 66 | Low | 77.5 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -59.4 | -33.4 | 173.8 | -66 | -15.1 | 0 | 0 | 0 | 111.8 | D304 V305 F309 G310 Q313 Q314 | D304-D307 HydrophobicContact CB-CB 4.48Å; D304-D307 VanDerWaalsContact O-CB 3.29Å; D304-D307 WeakPolarHBondContact O-CB 3.4Å; D304-D307 PolarHBondContact O-N 2.95Å; D304-D307 VanDerWaalsContact O-N 3.12Å; V305-D307 VanDerWaalsContact C-N 3.34Å; D307-F309 PolarHBondContact O-N 2.9Å; D307-F309 VanDerWaalsContact O-N 3.12Å; D307-G310 PolarHBondContact O-N 3.48Å; D307-G310 VanDerWaalsContact O-N 3.09Å; D307-Q313 PolarHBondContact OD1-N 3.39Å; D307-Q314 PolarHBondContact OD1-N 3.42Å; D307-Q314 PolarHBondContact OD2-N 3.46Å |
| 308 | C | 66.3 | Low | 77.6 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -63.3 | -19.2 | -177.7 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | I206 S270 D304 V305 T306 | I206-C308 HydrophobicContact CB-CB 4.42Å; I206-C308 HydrophobicContact CG1-CB 3.95Å; I206-C308 HydrophobicContact CG2-CB 4.28Å; S270-C308 WeakPolarHBondContact CB-O 3.45Å; S270-C308 PolarHBondContact OG-O 2.71Å; D304-C308 PolarHBondContact O-SG 3.48Å; V305-C308 WeakPolarHBondContact O-CB 3.02Å; V305-C308 PolarHBondContact O-N 3.43Å; T306-C308 PolarHBondContact O-N 3.45Å |
| 309 | F | 67 | Low | 77.4 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 39% | 0.386 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -106.8 | 16.7 | -180 | -56.2 | -67.8 | 0 | 0 | 0 | 113 | I194 I206 W208 V305 T306 D307 | I194-F309 HydrophobicContact CD1-CE2 4.35Å; I194-F309 HydrophobicContact CD1-CZ 3.74Å; I194-F309 HydrophobicContact CG1-CZ 4.42Å; I206-F309 HydrophobicContact CG2-CE1 4.47Å; I206-F309 HydrophobicContact CG2-CZ 4.44Å; W208-F309 HydrophobicContact CB-CE1 3.84Å; W208-F309 HydrophobicContact CB-CZ 4.46Å; W208-F309 AromaticContact CD1-CE1 3.71Å; W208-F309 HydrophobicContact CD2-CD1 4.11Å; W208-F309 AromaticContact CD2-CE1 3.84Å; W208-F309 HydrophobicContact CD2-CE1 3.84Å; W208-F309 AromaticContact CE2-CD1 3.96Å; W208-F309 HydrophobicContact CE3-CE1 4.47Å; W208-F309 HydrophobicContact CG-CD1 4.22Å; W208-F309 AromaticContact CG-CE1 3.56Å; W208-F309 HydrophobicContact CG-CE1 3.56Å; W208-F309 HydrophobicContact CZ2-CD1 4.4Å; V305-F309 HydrophobicContact CG1-CE2 3.82Å; V305-F309 WeakPolarHBondContact O-CD2 3.24Å; V305-F309 WeakPolarHBondContact O-CE2 3.13Å; T306-F309 PolarHBondContact O-N 3.25Å; D307-F309 PolarHBondContact O-N 2.9Å; D307-F309 VanDerWaalsContact O-N 3.12Å |
| 310 | G | 60.7 | Low | 76.8 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 73% | 0.732 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | 15.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D307 | D307-G310 PolarHBondContact O-N 3.48Å; D307-G310 VanDerWaalsContact O-N 3.09Å |
| 311 | G | 59.1 | Low | 76.2 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 24% | 0.237 | 27% | 0.266 | C | S | . | . | trans | -67.4 | 175.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | T306 Q313 | T306-G311 WeakPolarHBondContact O-CA 3.16Å; T306-G311 PolarHBondContact O-N 3.38Å; T306-G311 VanDerWaalsContact O-N 3.13Å; G311-Q313 PolarHBondContact O-N 3.03Å; G311-Q313 VanDerWaalsContact O-N 3.08Å | ||
| 312 | P | 56.5 | Low | 75.4 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | trans | -69.5 | 102.3 | -178.2 | 29.1 | -33.6 | 0 | 0 | 0 | 111.6 | Q314 | P312-Q314 WeakPolarHBondContact O-CG 3.28Å; P312-Q314 PolarHBondContact O-N 3.48Å | ||
| 313 | Q | 63.8 | Low | 75.1 | Confident | 100 Ų | 100 | 50.5 Ų | 50.5 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | trans | -40.4 | 89.8 | -179 | -60.5 | -72.3 | -49.5 | 0 | 0 | 114.4 | D307 G311 | D307-Q313 PolarHBondContact OD1-N 3.39Å; G311-Q313 PolarHBondContact O-N 3.03Å; G311-Q313 VanDerWaalsContact O-N 3.08Å | ||
| 314 | Q | 66.9 | Low | 75 | Confident | 130 Ų | 130 | 50.5 Ų | 50.5 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | trans | -117.7 | 69.9 | 175.9 | -75.8 | -175.8 | 43.1 | 0 | 0 | 109.3 | D307 P312 | D307-Q314 PolarHBondContact OD1-N 3.42Å; D307-Q314 PolarHBondContact OD2-N 3.46Å; P312-Q314 WeakPolarHBondContact O-CG 3.28Å; P312-Q314 PolarHBondContact O-N 3.48Å | ||
| 315 | R | 77 | Confident | 75.2 | Confident | 74 Ų | 74 | 48.8 Ų | 48.8 | 28% | 0.279 | 27% | 0.267 | S | S | . | . | trans | -92.6 | 143.1 | 172.9 | 64.3 | -170.5 | 177 | -138 | 8.1 | 111.4 | K302 W303 T864 | K302-R315 WeakPolarHBondContact O-CA 3.3Å; W303-R315 HydrophobicContact CE3-CB 4.2Å; R315-T864 HydrophobicContact CG-CG2 4.35Å; R315-T864 WeakPolarHBondContact O-CG2 3.29Å; R315-T864 PolarHBondContact O-OG1 2.92Å | ||
| 316 | R | 85.2 | Confident | 75.7 | Confident | 127 Ų | 127 | 50 Ų | 50 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.5 | 170 | -64.4 | -174.8 | -177 | -175.9 | -0.6 | 109.4 | K302 | K302-R316 PolarHBondContact N-O 2.95Å; K302-R316 PolarHBondContact O-N 3.44Å |
| 317 | F | 85.2 | Confident | 76.6 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.4 | 176.8 | 60.6 | -85.2 | 0 | 0 | 0 | 111.2 | W274 V299 L300 V301 P319 V862 T864 | W274-F317 HydrophobicContact CH2-CD2 4.17Å; W274-F317 HydrophobicContact CH2-CG 4.38Å; W274-F317 HydrophobicContact CZ2-CB 4.29Å; W274-F317 HydrophobicContact CZ2-CD1 4.08Å; W274-F317 AromaticContact CZ2-CD2 3.75Å; W274-F317 HydrophobicContact CZ2-CD2 3.75Å; W274-F317 HydrophobicContact CZ2-CE1 4.38Å; W274-F317 HydrophobicContact CZ2-CE2 4.08Å; W274-F317 AromaticContact CZ2-CG 3.77Å; W274-F317 HydrophobicContact CZ2-CG 3.77Å; W274-F317 HydrophobicContact CZ2-CZ 4.38Å; V299-F317 HydrophobicContact CG1-CB 4.14Å; V299-F317 HydrophobicContact CG1-CD2 4.45Å; L300-F317 CarbonylContact O-C 3.52Å; L300-F317 WeakPolarHBondContact O-CA 2.99Å; V301-F317 HydrophobicContact CB-CB 4.44Å; V301-F317 HydrophobicContact CG1-CB 4.43Å; V301-F317 HydrophobicContact CG2-CB 4.04Å; F317-P319 HydrophobicContact CD2-CG 4.2Å; F317-P319 HydrophobicContact CE2-CG 4.23Å; F317-V862 HydrophobicContact CE2-CB 4.17Å; F317-V862 HydrophobicContact CZ-CB 4.06Å; F317-V862 HydrophobicContact CZ-CG1 4.06Å; F317-T864 HydrophobicContact CD1-CG2 4.36Å; F317-T864 HydrophobicContact CE1-CG2 3.88Å |
| 318 | L | 86.2 | Confident | 78 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 103.4 | 173.3 | -175 | 67.2 | 0 | 0 | 0 | 108.4 | L300 F321 M351 F355 L859 | L300-L318 PolarHBondContact N-O 3.01Å; L300-L318 VanDerWaalsContact N-O 3.07Å; L300-L318 PolarHBondContact O-N 2.77Å; L318-F321 HydrophobicContact CD2-CE2 4.27Å; L318-F321 HydrophobicContact CD2-CZ 3.79Å; L318-F321 HydrophobicContact CG-CE2 4.42Å; L318-F321 HydrophobicContact CG-CZ 4.41Å; L318-M351 HydrophobicContact CD2-CE 3.88Å; L318-M351 HydrophobicContact CD2-SD 3.83Å; L318-F355 HydrophobicContact CB-CB 4.48Å; L318-F355 HydrophobicContact CB-CD2 3.85Å; L318-F355 HydrophobicContact CB-CE2 4.25Å; L318-F355 HydrophobicContact CB-CG 4.35Å; L318-F355 HydrophobicContact CD2-CB 4.27Å; L318-L859 HydrophobicContact CD1-CB 4.21Å |
| 319 | P | 82.1 | Confident | 79.3 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -85.4 | -180 | 177.4 | 33.7 | -31.5 | 0 | 0 | 0 | 112.4 | V299 F317 | V299-P319 HydrophobicContact CG1-CB 4.48Å; V299-P319 HydrophobicContact CG2-CB 4Å; F317-P319 HydrophobicContact CD2-CG 4.2Å; F317-P319 HydrophobicContact CE2-CG 4.23Å | ||
| 320 | H | 76.6 | Confident | 80.5 | Confident | 121 Ų | 121 | 47 Ų | 47 | 56% | 0.56 | 26% | 0.258 | S | S | * | . | trans | 71.2 | 28.9 | 168 | -54 | -64.7 | 0 | 0 | 0 | 117.4 | G322 L859 | H320-G322 PolarHBondContact O-N 3.21Å; H320-G322 VanDerWaalsContact O-N 3.12Å; H320-L859 HydrophobicContact CB-CD2 3.49Å; H320-L859 VanDerWaalsContact CB-CD2 3.49Å; H320-L859 VanDerWaalsContact O-CD2 3.29Å; H320-L859 WeakPolarHBondContact O-CD2 3.29Å | ||
| 321 | F | 79.9 | Confident | 81.8 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | trans | -59.4 | -21.3 | 165.7 | -75.4 | -70.5 | 0 | 0 | 0 | 113.2 | G298 L300 L318 Y323 V325 V341 L343 H349 M351 | G298-F321 WeakPolarHBondContact O-CD2 3.46Å; G298-F321 PolarHBondContact O-N 3.24Å; L300-F321 HydrophobicContact CB-CE2 3.72Å; L300-F321 HydrophobicContact CB-CZ 4.39Å; L318-F321 HydrophobicContact CD2-CE2 4.27Å; L318-F321 HydrophobicContact CD2-CZ 3.79Å; L318-F321 HydrophobicContact CG-CE2 4.42Å; L318-F321 HydrophobicContact CG-CZ 4.41Å; F321-Y323 PolarHBondContact O-N 3.28Å; F321-V325 HydrophobicContact CD2-CG2 4.39Å; F321-V341 HydrophobicContact CE1-CG1 4.32Å; F321-V341 HydrophobicContact CZ-CG1 4.18Å; F321-V341 HydrophobicContact CZ-CG2 4.46Å; F321-L343 HydrophobicContact CB-CD1 3.81Å; F321-L343 HydrophobicContact CB-CD2 3.85Å; F321-L343 HydrophobicContact CD1-CD1 4.01Å; F321-L343 HydrophobicContact CD1-CD2 4.13Å; F321-L343 HydrophobicContact CG-CD1 4.28Å; F321-L343 HydrophobicContact CG-CD2 3.98Å; F321-H349 AromaticContact CD1-CD2 3.52Å; F321-H349 AromaticContact CD1-NE2 3.71Å; F321-H349 HydrophobicContact CE1-CB 4.42Å; F321-H349 AromaticContact CE1-CD2 3.51Å; F321-M351 HydrophobicContact CE1-CE 3.25Å; F321-M351 HydrophobicContact CZ-CE 3.27Å; F321-M351 HydrophobicContact CZ-SD 4.25Å | ||
| 322 | G | 75.9 | Confident | 83.1 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 78.5 | -9.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H320 | H320-G322 PolarHBondContact O-N 3.21Å; H320-G322 VanDerWaalsContact O-N 3.12Å |
| 323 | Y | 84.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -141.6 | 156.6 | 173.2 | -74 | -83.3 | 0 | 0 | 0 | 110.9 | G298 F321 N345 P368 G408 C409 K411 | G298-Y323 WeakPolarHBondContact CA-O 3.27Å; F321-Y323 PolarHBondContact O-N 3.28Å; Y323-N345 HydrophobicContact CD1-CB 3.66Å; Y323-N345 HydrophobicContact CD2-CB 3.56Å; Y323-N345 WeakPolarHBondContact CD2-ND2 3.34Å; Y323-N345 HydrophobicContact CE1-CB 3.9Å; Y323-N345 HydrophobicContact CE2-CB 3.79Å; Y323-N345 WeakPolarHBondContact CE2-ND2 3.44Å; Y323-N345 HydrophobicContact CG-CB 3.49Å; Y323-N345 VanDerWaalsContact CG-CB 3.49Å; Y323-P368 HydrophobicContact CD1-CG 4.23Å; Y323-G408 VanDerWaalsContact OH-CA 3.29Å; Y323-G408 WeakPolarHBondContact OH-CA 3.3Å; Y323-C409 PolarHBondContact OH-N 3.41Å; Y323-K411 HydrophobicContact CE2-CD 4.46Å; Y323-K411 WeakPolarHBondContact OH-CD 2.93Å; Y323-K411 PolarHBondContact OH-NZ 3.27Å |
| 324 | P | 88.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | trans | -54.5 | 139.1 | 175.3 | -24.1 | 31.7 | 0 | 0 | 0 | 112.2 | L296 S326 L343 E344 | L296-P324 HydrophobicContact CD1-CB 3.72Å; L296-P324 HydrophobicContact CD1-CG 3.83Å; L296-P324 WeakPolarHBondContact O-CA 3.32Å; L296-P324 WeakPolarHBondContact O-CB 3.24Å; L296-P324 WeakPolarHBondContact O-CG 3.43Å; P324-S326 PolarHBondContact O-N 2.88Å; P324-L343 WeakPolarHBondContact O-CA 3.1Å; P324-E344 HydrophobicContact CB-CB 4.44Å; P324-E344 HydrophobicContact CB-CG 4.17Å; P324-E344 PolarHBondContact O-N 3.27Å | ||
| 325 | V | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.6 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 108 | T280 G295 F321 V328 V341 L343 | T280-V325 WeakPolarHBondContact CB-O 3.4Å; T280-V325 PolarHBondContact OG1-O 2.79Å; G295-V325 PolarHBondContact O-N 3.12Å; F321-V325 HydrophobicContact CD2-CG2 4.39Å; V325-V328 HydrophobicContact CG1-CG2 3.47Å; V325-V328 VanDerWaalsContact CG1-CG2 3.47Å; V325-V341 HydrophobicContact CG1-CG1 3.91Å; V325-V341 HydrophobicContact CG2-CG1 4.32Å; V325-L343 HydrophobicContact CB-CD2 4.47Å; V325-L343 HydrophobicContact CG2-CD2 4.04Å |
| 326 | S | 92.5 | Very high | 86.9 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -40.4 | 177.7 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | P324 N342 | P324-S326 PolarHBondContact O-N 2.88Å; S326-N342 PolarHBondContact N-O 2.87Å; S326-N342 WeakPolarHBondContact OG-CB 3.44Å; S326-N342 PolarHBondContact OG-O 3.13Å; S326-N342 VanDerWaalsContact OG-O 3.09Å |
| 327 | S | 94.9 | Very high | 87.1 | Confident | 23 Ų | 23 | 34 Ų | 34 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 148.2 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | D16 S281 N342 | D16-S327 VanDerWaalsContact OD1-CB 3.28Å; D16-S327 WeakPolarHBondContact OD1-CB 3.36Å; D16-S327 PolarHBondContact OD1-OG 3.44Å; S281-S327 WeakPolarHBondContact OG-CA 3.49Å; S327-N342 PolarHBondContact N-O 2.87Å; S327-N342 PolarHBondContact O-N 3.48Å; S327-N342 WeakPolarHBondContact OG-CB 3.37Å; S327-N342 PolarHBondContact OG-ND2 2.68Å |
| 328 | V | 95.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.9 | 172.8 | -177 | 0 | 0 | 0 | 0 | 108 | S281 C283 L292 L300 V325 I339 S340 | S281-V328 PolarHBondContact OG-N 3.03Å; C283-V328 VanDerWaalsContact CB-O 3.3Å; C283-V328 WeakPolarHBondContact CB-O 3.44Å; L292-V328 HydrophobicContact CB-CG1 3.94Å; L292-V328 HydrophobicContact CD1-CG1 3.95Å; L300-V328 HydrophobicContact CD1-CB 4.41Å; L300-V328 HydrophobicContact CD1-CG1 3.83Å; L300-V328 HydrophobicContact CD1-CG2 3.7Å; V325-V328 HydrophobicContact CG1-CG2 3.47Å; V325-V328 VanDerWaalsContact CG1-CG2 3.47Å; V328-I339 HydrophobicContact CG1-CG2 3.93Å; V328-S340 WeakPolarHBondContact CA-O 3.27Å |
| 329 | R | 93.7 | Very high | 88 | Confident | 74 Ų | 74 | 32.7 Ų | 32.7 | 28% | 0.279 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.6 | 179.5 | -161 | 72.1 | -166.4 | 172.5 | 4.1 | 112.3 | D16 I339 S340 | D16-R329 HydrophobicContact CB-CB 4.05Å; D16-R329 HydrophobicContact CB-CG 4.37Å; R329-I339 CarbonylContact O-C 3.6Å; R329-I339 WeakPolarHBondContact O-CA 3.45Å; R329-S340 WeakPolarHBondContact CB-OG 3.35Å; R329-S340 PolarHBondContact N-O 2.78Å; R329-S340 PolarHBondContact O-N 3.24Å; R329-S340 PolarHBondContact O-OG 3.32Å |
| 330 | S | 93 | Very high | 88.6 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | trans | -121.7 | 97.5 | 168.4 | 156.5 | 0 | 0 | 0 | 0 | 107.8 | C283 T285 S286 | C283-S330 PolarHBondContact SG-N 2.76Å; C283-S330 VanDerWaalsContact SG-N 3.35Å; T285-S330 WeakPolarHBondContact CA-OG 3.29Å; S286-S330 PolarHBondContact N-OG 2.78Å; S286-S330 VanDerWaalsContact N-OG 3.12Å | ||
| 331 | H | 88.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 26.3 Ų | 26.3 | 17% | 0.171 | 16% | 0.157 | C | C | . | . | trans | -69.9 | -33.6 | -172.7 | -67.3 | -78.1 | 0 | 0 | 0 | 113.8 | P17 P59 C335 | P17-H331 PolarHBondContact O-NE2 2.88Å; P17-H331 VanDerWaalsContact O-NE2 3.16Å; P59-H331 HydrophobicContact CG-CB 4.01Å; H331-C335 HydrophobicContact CB-CB 4.19Å | ||
| 332 | G | 86.2 | Confident | 90.4 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | 70 | -162.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F334 C335 E336 | G332-F334 PolarHBondContact O-N 2.82Å; G332-C335 WeakPolarHBondContact O-CB 3.42Å; G332-C335 PolarHBondContact O-N 2.97Å; G332-E336 WeakPolarHBondContact CA-O 3.42Å | ||
| 333 | G | 84.5 | Confident | 91.2 | Very high | 70 Ų | 70 | 24.2 Ų | 24.2 | 72% | 0.722 | 14% | 0.14 | S | C | * | . | G | 310 helix | trans | 59.3 | -125.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C335 E336 | G333-C335 PolarHBondContact O-N 3.03Å; G333-E336 PolarHBondContact O-N 2.83Å |
| 334 | F | 84.7 | Confident | 91.4 | Very high | 66 Ų | 66 | 25.6 Ų | 25.6 | 29% | 0.289 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -67.1 | -11.2 | 178 | -57.7 | -63.5 | 0 | 0 | 0 | 114.5 | L20 G60 K63 P64 G332 | L20-F334 HydrophobicContact CD2-CB 4.49Å; G60-F334 WeakPolarHBondContact O-CD2 3.34Å; G60-F334 WeakPolarHBondContact O-CE2 3.44Å; K63-F334 VanDerWaalsContact C-CE2 3.43Å; P64-F334 HydrophobicContact CB-CB 4.4Å; P64-F334 HydrophobicContact CB-CD1 3.52Å; P64-F334 HydrophobicContact CB-CD2 4.46Å; P64-F334 HydrophobicContact CB-CE1 3.77Å; P64-F334 HydrophobicContact CB-CG 3.89Å; P64-F334 HydrophobicContact CB-CZ 4.35Å; P64-F334 HydrophobicContact CG-CE1 4.31Å; G332-F334 PolarHBondContact O-N 2.82Å |
| 335 | C | 85.7 | Confident | 91.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -89.7 | -5 | 172.6 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | V18 Y19 H331 G332 G333 D337 I338 | V18-C335 VanDerWaalsContact CG1-SG 3.54Å; Y19-C335 WeakPolarHBondContact O-CA 3.46Å; Y19-C335 WeakPolarHBondContact O-CB 3.47Å; Y19-C335 PolarHBondContact O-SG 3.1Å; Y19-C335 VanDerWaalsContact O-SG 3.35Å; H331-C335 HydrophobicContact CB-CB 4.19Å; G332-C335 WeakPolarHBondContact O-CB 3.42Å; G332-C335 PolarHBondContact O-N 2.97Å; G333-C335 PolarHBondContact O-N 3.03Å; C335-D337 PolarHBondContact O-N 2.84Å; C335-I338 VanDerWaalsContact O-CB 3.25Å; C335-I338 WeakPolarHBondContact O-CB 3.39Å; C335-I338 WeakPolarHBondContact O-CG1 3.48Å; C335-I338 PolarHBondContact O-N 3.32Å |
| 336 | E | 89.2 | Confident | 91.5 | Very high | 92 Ų | 92 | 25.9 Ų | 25.9 | 43% | 0.43 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -121.8 | -179.3 | -58.3 | 177.4 | -166.8 | 0 | 0 | 113.6 | K21 S286 G332 G333 | K21-E336 HydrophobicContact CD-CG 4.5Å; K21-E336 WeakPolarHBondContact CD-OE2 3.47Å; K21-E336 WeakPolarHBondContact CE-OE2 3.38Å; K21-E336 IonicContact NZ-OE2 3.36Å; K21-E336 PolarHBondContact NZ-OE2 2.8Å; S286-E336 PolarHBondContact OG-O 2.81Å; G332-E336 WeakPolarHBondContact CA-O 3.42Å; G333-E336 PolarHBondContact O-N 2.83Å |
| 337 | D | 89.3 | Confident | 91.5 | Very high | 74 Ų | 74 | 24.2 Ų | 24.2 | 40% | 0.396 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 14.9 | -177.6 | 70.8 | -38.5 | 0 | 0 | 0 | 113.3 | K21 C335 G353 | K21-D337 IonicContact NZ-OD1 3.54Å; C335-D337 PolarHBondContact O-N 2.84Å; D337-G353 PolarHBondContact O-N 3.39Å; D337-G353 PolarHBondContact OD2-N 2.88Å |
| 338 | I | 94.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | trans | -69.4 | 139.1 | -176.8 | -62.4 | -69.8 | 0 | 0 | 0 | 111.9 | Y19 K21 C335 I350 M351 I358 | Y19-I338 HydrophobicContact CD1-CD1 3.78Å; Y19-I338 HydrophobicContact CD1-CG1 3.88Å; Y19-I338 HydrophobicContact CD1-CG2 4.26Å; Y19-I338 HydrophobicContact CE1-CD1 4.2Å; K21-I338 HydrophobicContact CD-CD1 4.4Å; K21-I338 HydrophobicContact CD-CG1 4.4Å; C335-I338 VanDerWaalsContact O-CB 3.25Å; C335-I338 WeakPolarHBondContact O-CB 3.39Å; C335-I338 WeakPolarHBondContact O-CG1 3.48Å; C335-I338 PolarHBondContact O-N 3.32Å; I338-I350 HydrophobicContact CG2-CG2 3.61Å; I338-M351 WeakPolarHBondContact CA-O 3.43Å; I338-M351 WeakPolarHBondContact CG2-O 3.29Å; I338-I358 HydrophobicContact CD1-CD1 3.3Å | ||
| 339 | I | 94.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | 178.1 | -54.7 | 171.5 | 0 | 0 | 0 | 108.6 | L292 V328 R329 V341 M351 F355 | L292-I339 HydrophobicContact CD1-CB 4.43Å; L292-I339 HydrophobicContact CD1-CD1 3.68Å; L292-I339 HydrophobicContact CD1-CG1 3.83Å; L292-I339 HydrophobicContact CD1-CG2 3.76Å; L292-I339 HydrophobicContact CD2-CD1 4.05Å; V328-I339 HydrophobicContact CG1-CG2 3.93Å; R329-I339 CarbonylContact O-C 3.6Å; R329-I339 WeakPolarHBondContact O-CA 3.45Å; I339-V341 HydrophobicContact CG2-CG2 4.13Å; I339-M351 HydrophobicContact CB-CB 4.45Å; I339-M351 PolarHBondContact N-O 2.96Å; I339-M351 PolarHBondContact O-N 3Å; I339-F355 HydrophobicContact CD1-CD1 4.1Å; I339-F355 HydrophobicContact CD1-CE1 3.84Å |
| 340 | S | 95.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.9 | 167.3 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | P17 V328 R329 H349 | P17-S340 PolarHBondContact O-OG 2.88Å; V328-S340 WeakPolarHBondContact CA-O 3.27Å; R329-S340 WeakPolarHBondContact CB-OG 3.35Å; R329-S340 PolarHBondContact N-O 2.78Å; R329-S340 PolarHBondContact O-N 3.24Å; R329-S340 PolarHBondContact O-OG 3.32Å; S340-H349 CarbonylContact C-O 3.59Å; S340-H349 WeakPolarHBondContact CA-O 3.29Å |
| 341 | V | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.6 | 177.9 | -176 | 0 | 0 | 0 | 0 | 108 | L300 F321 V325 I339 L343 F348 H349 M351 | L300-V341 HydrophobicContact CD2-CG2 3.88Å; F321-V341 HydrophobicContact CE1-CG1 4.32Å; F321-V341 HydrophobicContact CZ-CG1 4.18Å; F321-V341 HydrophobicContact CZ-CG2 4.46Å; V325-V341 HydrophobicContact CG1-CG1 3.91Å; V325-V341 HydrophobicContact CG2-CG1 4.32Å; I339-V341 HydrophobicContact CG2-CG2 4.13Å; V341-L343 HydrophobicContact CG1-CD2 4.04Å; V341-F348 CarbonylContact O-C 3.43Å; V341-F348 WeakPolarHBondContact O-CA 3.19Å; V341-H349 HydrophobicContact CB-CB 4.49Å; V341-H349 PolarHBondContact N-O 3.08Å; V341-H349 PolarHBondContact O-N 2.85Å; V341-M351 HydrophobicContact CG2-CE 4.33Å; V341-M351 HydrophobicContact CG2-SD 4.36Å |
| 342 | N | 96.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.1 | 170.1 | -68.7 | -13.3 | 0 | 0 | 0 | 109.7 | V13 A15 D16 P17 S326 S327 F348 | V13-N342 HydrophobicContact CB-CB 4.23Å; V13-N342 HydrophobicContact CG1-CB 4.24Å; A15-N342 PolarHBondContact O-ND2 2.63Å; D16-N342 PolarHBondContact OD1-ND2 3.45Å; P17-N342 WeakPolarHBondContact CD-OD1 3.48Å; S326-N342 PolarHBondContact N-O 2.87Å; S326-N342 WeakPolarHBondContact OG-CB 3.44Å; S326-N342 PolarHBondContact OG-O 3.13Å; S326-N342 VanDerWaalsContact OG-O 3.09Å; S327-N342 PolarHBondContact N-O 2.87Å; S327-N342 PolarHBondContact O-N 3.48Å; S327-N342 WeakPolarHBondContact OG-CB 3.37Å; S327-N342 PolarHBondContact OG-ND2 2.68Å; N342-F348 WeakPolarHBondContact OD1-CB 3.45Å |
| 343 | L | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.8 | 177.5 | -56.8 | -175.9 | 0 | 0 | 0 | 110.6 | F321 P324 V325 V341 N345 N346 S347 H349 | F321-L343 HydrophobicContact CB-CD1 3.81Å; F321-L343 HydrophobicContact CB-CD2 3.85Å; F321-L343 HydrophobicContact CD1-CD1 4.01Å; F321-L343 HydrophobicContact CD1-CD2 4.13Å; F321-L343 HydrophobicContact CG-CD1 4.28Å; F321-L343 HydrophobicContact CG-CD2 3.98Å; P324-L343 WeakPolarHBondContact O-CA 3.1Å; V325-L343 HydrophobicContact CB-CD2 4.47Å; V325-L343 HydrophobicContact CG2-CD2 4.04Å; V341-L343 HydrophobicContact CG1-CD2 4.04Å; L343-N345 WeakPolarHBondContact CB-OD1 3.4Å; L343-N345 PolarHBondContact O-N 3.14Å; L343-N345 VanDerWaalsContact O-N 3.17Å; L343-N346 PolarHBondContact O-N 2.88Å; L343-S347 PolarHBondContact N-O 3.32Å; L343-H349 WeakPolarHBondContact CD1-NE2 3.45Å |
| 344 | E | 90.2 | Very high | 91.7 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 15% | 0.154 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.6 | -176.5 | -74.3 | -159.8 | -155.8 | 0 | 0 | 115 | P324 N346 P368 K369 H370 | P324-E344 HydrophobicContact CB-CB 4.44Å; P324-E344 HydrophobicContact CB-CG 4.17Å; P324-E344 PolarHBondContact O-N 3.27Å; E344-N346 PolarHBondContact O-N 3.5Å; E344-N346 VanDerWaalsContact O-N 3.17Å; E344-P368 HydrophobicContact CB-CB 3.98Å; E344-P368 HydrophobicContact CB-CG 4.44Å; E344-P368 VanDerWaalsContact OE2-C 3.3Å; E344-P368 VanDerWaalsContact OE2-CA 3.3Å; E344-P368 WeakPolarHBondContact OE2-CA 3.06Å; E344-P368 WeakPolarHBondContact OE2-CB 3.25Å; E344-K369 PolarHBondContact OE2-N 3.02Å; E344-H370 VanDerWaalsContact CD-ND1 3.27Å; E344-H370 IonicContact OE1-CG 2.67Å; E344-H370 IonicContact OE1-ND1 3.42Å; E344-H370 PolarHBondContact OE1-ND1 2.78Å; E344-H370 IonicContact OE2-CE1 3.26Å; E344-H370 IonicContact OE2-CG 2.76Å; E344-H370 PolarHBondContact OE2-N 2.94Å; E344-H370 IonicContact OE2-ND1 3.63Å; E344-H370 PolarHBondContact OE2-ND1 2.89Å |
| 345 | N | 89.1 | Confident | 92 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 20.9 | 173.3 | 70.1 | -28.9 | 0 | 0 | 0 | 113.6 | Y323 L343 S347 Q362 | Y323-N345 HydrophobicContact CD1-CB 3.66Å; Y323-N345 HydrophobicContact CD2-CB 3.56Å; Y323-N345 WeakPolarHBondContact CD2-ND2 3.34Å; Y323-N345 HydrophobicContact CE1-CB 3.9Å; Y323-N345 HydrophobicContact CE2-CB 3.79Å; Y323-N345 WeakPolarHBondContact CE2-ND2 3.44Å; Y323-N345 HydrophobicContact CG-CB 3.49Å; Y323-N345 VanDerWaalsContact CG-CB 3.49Å; L343-N345 WeakPolarHBondContact CB-OD1 3.4Å; L343-N345 PolarHBondContact O-N 3.14Å; L343-N345 VanDerWaalsContact O-N 3.17Å; N345-S347 PolarHBondContact ND2-OG 3.47Å; N345-S347 WeakPolarHBondContact OD1-CB 3.48Å; N345-S347 PolarHBondContact OD1-OG 2.86Å; N345-Q362 PolarHBondContact ND2-OE1 2.82Å; N345-Q362 PolarHBondContact O-NE2 3.2Å |
| 346 | N | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 43.9 | -177.2 | -168.2 | 36.8 | 0 | 0 | 0 | 112.7 | S10 L11 I12 V13 L343 E344 Q362 G363 F364 Q366 | S10-N346 PolarHBondContact O-ND2 2.71Å; L11-N346 WeakPolarHBondContact CA-OD1 3.44Å; L11-N346 HydrophobicContact CD2-CB 4.18Å; I12-N346 WeakPolarHBondContact CG1-OD1 3.44Å; I12-N346 PolarHBondContact N-OD1 3.01Å; V13-N346 HydrophobicContact CG2-CB 4.47Å; V13-N346 PolarHBondContact N-OD1 3.32Å; L343-N346 PolarHBondContact O-N 2.88Å; E344-N346 PolarHBondContact O-N 3.5Å; E344-N346 VanDerWaalsContact O-N 3.17Å; N346-Q362 PolarHBondContact O-NE2 3.42Å; N346-G363 WeakPolarHBondContact O-CA 3.45Å; N346-G363 PolarHBondContact O-N 2.98Å; N346-F364 WeakPolarHBondContact CB-O 3.43Å; N346-F364 PolarHBondContact ND2-N 3.05Å; N346-F364 PolarHBondContact ND2-O 3.34Å; N346-Q366 HydrophobicContact CB-CB 4.49Å; N346-Q366 HydrophobicContact CB-CG 4.05Å |
| 347 | S | 92.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 158.2 | 173.5 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | V13 L343 N345 K361 Q362 | V13-S347 VanDerWaalsContact CG1-O 3.3Å; V13-S347 WeakPolarHBondContact CG1-O 3.41Å; L343-S347 PolarHBondContact N-O 3.32Å; N345-S347 PolarHBondContact ND2-OG 3.47Å; N345-S347 WeakPolarHBondContact OD1-CB 3.48Å; N345-S347 PolarHBondContact OD1-OG 2.86Å; S347-K361 VanDerWaalsContact CA-O 3.26Å; S347-K361 WeakPolarHBondContact CA-O 3.47Å; S347-K361 WeakPolarHBondContact CB-O 3.43Å; S347-Q362 VanDerWaalsContact CB-OE1 3.31Å |
| 348 | F | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.6 | 175.5 | 69 | -102.9 | 0 | 0 | 0 | 112.1 | I12 P17 I26 Y28 V341 N342 I350 Y359 S360 K361 | I12-F348 HydrophobicContact CB-CE1 4.5Å; I12-F348 HydrophobicContact CD1-CD1 3.81Å; I12-F348 HydrophobicContact CD1-CE1 3.8Å; I12-F348 HydrophobicContact CG1-CD1 4.18Å; I12-F348 HydrophobicContact CG1-CE1 4.35Å; P17-F348 HydrophobicContact CB-CD2 4.16Å; P17-F348 HydrophobicContact CB-CE2 4.11Å; P17-F348 HydrophobicContact CB-CG 4.49Å; P17-F348 HydrophobicContact CB-CZ 4.39Å; P17-F348 HydrophobicContact CG-CB 4.14Å; P17-F348 HydrophobicContact CG-CD1 4.48Å; P17-F348 HydrophobicContact CG-CD2 3.67Å; P17-F348 HydrophobicContact CG-CE2 4.13Å; P17-F348 HydrophobicContact CG-CG 3.87Å; I26-F348 HydrophobicContact CG2-CE2 4.48Å; Y28-F348 HydrophobicContact CD1-CE1 4.37Å; Y28-F348 AromaticContact CD1-CZ 3.94Å; Y28-F348 HydrophobicContact CD1-CZ 3.94Å; Y28-F348 AromaticContact CD2-CE1 3.81Å; Y28-F348 HydrophobicContact CD2-CE1 3.81Å; Y28-F348 HydrophobicContact CD2-CZ 4.21Å; Y28-F348 HydrophobicContact CE1-CZ 4.44Å; Y28-F348 HydrophobicContact CE2-CE1 4.38Å; Y28-F348 AromaticContact CG-CE1 3.81Å; Y28-F348 HydrophobicContact CG-CE1 3.81Å; Y28-F348 AromaticContact CG-CZ 3.8Å; Y28-F348 HydrophobicContact CG-CZ 3.8Å; V341-F348 CarbonylContact O-C 3.43Å; V341-F348 WeakPolarHBondContact O-CA 3.19Å; N342-F348 WeakPolarHBondContact OD1-CB 3.45Å; F348-I350 HydrophobicContact CD2-CD1 4.48Å; F348-I350 HydrophobicContact CD2-CG1 4.21Å; F348-I350 HydrophobicContact CE2-CD1 4.02Å; F348-I350 HydrophobicContact CE2-CG1 4.23Å; F348-Y359 AromaticContact CE2-CD1 3.96Å; F348-Y359 HydrophobicContact CE2-CD1 3.96Å; F348-Y359 AromaticContact CE2-CE1 3.9Å; F348-Y359 HydrophobicContact CE2-CE1 3.9Å; F348-Y359 HydrophobicContact CZ-CE1 4.11Å; F348-S360 WeakPolarHBondContact O-CA 3.19Å; F348-K361 HydrophobicContact CD1-CB 4.23Å; F348-K361 HydrophobicContact CE1-CB 3.68Å; F348-K361 HydrophobicContact CE1-CG 4.15Å; F348-K361 HydrophobicContact CE2-CB 4.03Å; F348-K361 HydrophobicContact CZ-CB 3.56Å; F348-K361 HydrophobicContact CZ-CG 4.27Å; F348-K361 PolarHBondContact N-O 3.31Å; F348-K361 PolarHBondContact O-N 3.11Å |
| 349 | H | 95.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 20 Ų | 20 | 12% | 0.116 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.6 | 175.9 | -56.3 | -77.2 | 0 | 0 | 0 | 110.2 | F321 S340 V341 L343 M351 Y359 S360 | F321-H349 AromaticContact CD1-CD2 3.52Å; F321-H349 AromaticContact CD1-NE2 3.71Å; F321-H349 HydrophobicContact CE1-CB 4.42Å; F321-H349 AromaticContact CE1-CD2 3.51Å; S340-H349 CarbonylContact C-O 3.59Å; S340-H349 WeakPolarHBondContact CA-O 3.29Å; V341-H349 HydrophobicContact CB-CB 4.49Å; V341-H349 PolarHBondContact N-O 3.08Å; V341-H349 PolarHBondContact O-N 2.85Å; L343-H349 WeakPolarHBondContact CD1-NE2 3.45Å; H349-M351 HydrophobicContact CB-CE 3.47Å; H349-M351 VanDerWaalsContact CB-CE 3.47Å; H349-Y359 WeakPolarHBondContact CA-O 3.31Å; H349-S360 WeakPolarHBondContact ND1-CB 3.45Å; H349-S360 PolarHBondContact ND1-OG 3.43Å |
| 350 | I | 95.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.7 | 173.5 | -62.5 | 174.9 | 0 | 0 | 0 | 107 | Y19 I26 I338 F348 I358 Y359 | Y19-I350 HydrophobicContact CD1-CG2 4.07Å; Y19-I350 HydrophobicContact CG-CG2 4.13Å; I26-I350 HydrophobicContact CB-CD1 4.18Å; I26-I350 HydrophobicContact CD1-CD1 3.83Å; I26-I350 HydrophobicContact CG1-CD1 3.75Å; I26-I350 HydrophobicContact CG2-CD1 3.37Å; I338-I350 HydrophobicContact CG2-CG2 3.61Å; F348-I350 HydrophobicContact CD2-CD1 4.48Å; F348-I350 HydrophobicContact CD2-CG1 4.21Å; F348-I350 HydrophobicContact CE2-CD1 4.02Å; F348-I350 HydrophobicContact CE2-CG1 4.23Å; I350-I358 PolarHBondContact O-N 3.03Å; I350-Y359 HydrophobicContact CD1-CD1 4.24Å; I350-Y359 PolarHBondContact N-O 2.91Å; I350-Y359 PolarHBondContact O-N 3.32Å |
| 351 | M | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.1 | -171.1 | -50.8 | -173.1 | 178.6 | 0 | 0 | 111.5 | L318 F321 I338 I339 V341 H349 T356 I357 | L318-M351 HydrophobicContact CD2-CE 3.88Å; L318-M351 HydrophobicContact CD2-SD 3.83Å; F321-M351 HydrophobicContact CE1-CE 3.25Å; F321-M351 HydrophobicContact CZ-CE 3.27Å; F321-M351 HydrophobicContact CZ-SD 4.25Å; I338-M351 WeakPolarHBondContact CA-O 3.43Å; I338-M351 WeakPolarHBondContact CG2-O 3.29Å; I339-M351 HydrophobicContact CB-CB 4.45Å; I339-M351 PolarHBondContact N-O 2.96Å; I339-M351 PolarHBondContact O-N 3Å; V341-M351 HydrophobicContact CG2-CE 4.33Å; V341-M351 HydrophobicContact CG2-SD 4.36Å; H349-M351 HydrophobicContact CB-CE 3.47Å; H349-M351 VanDerWaalsContact CB-CE 3.47Å; M351-T356 WeakPolarHBondContact CA-O 3.37Å; M351-T356 WeakPolarHBondContact CB-O 3.12Å; M351-I357 HydrophobicContact CE-CD1 3.81Å; M351-I357 HydrophobicContact CE-CG1 3.7Å; M351-I357 HydrophobicContact CG-CG1 4.23Å; M351-I357 HydrophobicContact SD-CG1 4.27Å |
| 352 | D | 90.5 | Very high | 91.4 | Very high | 40 Ų | 40 | 25.7 Ų | 25.7 | 21% | 0.214 | 15% | 0.145 | C | C | . | . | trans | -81.4 | 176.2 | 166.7 | 66.4 | 16.1 | 0 | 0 | 0 | 112 | A354 F355 T356 I358 | D352-A354 PolarHBondContact O-N 3.04Å; D352-A354 VanDerWaalsContact O-N 3.11Å; D352-A354 VanDerWaalsContact OD1-C 3.27Å; D352-A354 VanDerWaalsContact OD1-CA 3.27Å; D352-A354 WeakPolarHBondContact OD1-CA 3.47Å; D352-A354 WeakPolarHBondContact OD1-CB 3Å; D352-A354 PolarHBondContact OD1-N 2.89Å; D352-F355 PolarHBondContact O-N 2.82Å; D352-F355 VanDerWaalsContact O-N 3.09Å; D352-F355 PolarHBondContact OD1-N 3.47Å; D352-T356 PolarHBondContact N-O 3.37Å; D352-T356 VanDerWaalsContact N-O 3.08Å; D352-T356 WeakPolarHBondContact OD1-CB 3.29Å; D352-T356 PolarHBondContact OD1-N 3.11Å; D352-T356 PolarHBondContact OD1-OG1 2.92Å; D352-T356 VanDerWaalsContact OD2-CB 3.23Å; D352-T356 WeakPolarHBondContact OD2-CB 3.23Å; D352-T356 PolarHBondContact OD2-OG1 2.63Å; D352-I358 HydrophobicContact CB-CD1 4.11Å | ||
| 353 | G | 85 | Confident | 91.1 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 16% | 0.155 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K302 D337 | K302-G353 PolarHBondContact NZ-O 3.41Å; D337-G353 PolarHBondContact O-N 3.39Å; D337-G353 PolarHBondContact OD2-N 2.88Å |
| 354 | A | 86.8 | Confident | 91 | Very high | 53 Ų | 53 | 26.1 Ų | 26.1 | 44% | 0.438 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D352 T356 | D352-A354 PolarHBondContact O-N 3.04Å; D352-A354 VanDerWaalsContact O-N 3.11Å; D352-A354 VanDerWaalsContact OD1-C 3.27Å; D352-A354 VanDerWaalsContact OD1-CA 3.27Å; D352-A354 WeakPolarHBondContact OD1-CA 3.47Å; D352-A354 WeakPolarHBondContact OD1-CB 3Å; D352-A354 PolarHBondContact OD1-N 2.89Å; A354-T356 VanDerWaalsContact C-N 3.25Å; A354-T356 PolarHBondContact O-N 2.9Å |
| 355 | F | 89.3 | Confident | 91 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 5% | 0.053 | 14% | 0.142 | C | C | . | . | trans | 65.6 | 22 | -174.7 | -64.2 | -20.5 | 0 | 0 | 0 | 114.6 | L292 L300 K302 L318 I339 D352 I357 L861 | L292-F355 HydrophobicContact CD2-CE1 4.09Å; L292-F355 HydrophobicContact CD2-CZ 4.24Å; L300-F355 HydrophobicContact CD2-CD1 4.01Å; L300-F355 HydrophobicContact CD2-CE1 3.39Å; L300-F355 HydrophobicContact CD2-CE2 4.49Å; L300-F355 HydrophobicContact CD2-CZ 3.63Å; L300-F355 HydrophobicContact CG-CE1 4.02Å; L300-F355 HydrophobicContact CG-CZ 3.74Å; K302-F355 HydrophobicContact CB-CE1 4.22Å; K302-F355 HydrophobicContact CB-CE2 3.88Å; K302-F355 HydrophobicContact CB-CZ 3.42Å; K302-F355 VanDerWaalsContact CB-CZ 3.42Å; K302-F355 HydrophobicContact CD-CE1 4.43Å; K302-F355 HydrophobicContact CD-CZ 4.33Å; K302-F355 HydrophobicContact CG-CZ 4.48Å; L318-F355 HydrophobicContact CB-CB 4.48Å; L318-F355 HydrophobicContact CB-CD2 3.85Å; L318-F355 HydrophobicContact CB-CE2 4.25Å; L318-F355 HydrophobicContact CB-CG 4.35Å; L318-F355 HydrophobicContact CD2-CB 4.27Å; I339-F355 HydrophobicContact CD1-CD1 4.1Å; I339-F355 HydrophobicContact CD1-CE1 3.84Å; D352-F355 PolarHBondContact O-N 2.82Å; D352-F355 VanDerWaalsContact O-N 3.09Å; D352-F355 PolarHBondContact OD1-N 3.47Å; F355-I357 PolarHBondContact O-N 3.49Å; F355-L861 HydrophobicContact CB-CD1 4.11Å; F355-L861 HydrophobicContact CD2-CD1 4Å | ||
| 356 | T | 90.2 | Very high | 90.9 | Very high | 53 Ų | 53 | 25.1 Ų | 25.1 | 33% | 0.325 | 14% | 0.143 | S | C | . | . | trans | -76 | 124.8 | 167.2 | -42.3 | 0 | 0 | 0 | 0 | 108.8 | M351 D352 A354 I358 | M351-T356 WeakPolarHBondContact CA-O 3.37Å; M351-T356 WeakPolarHBondContact CB-O 3.12Å; D352-T356 PolarHBondContact N-O 3.37Å; D352-T356 VanDerWaalsContact N-O 3.08Å; D352-T356 WeakPolarHBondContact OD1-CB 3.29Å; D352-T356 PolarHBondContact OD1-N 3.11Å; D352-T356 PolarHBondContact OD1-OG1 2.92Å; D352-T356 VanDerWaalsContact OD2-CB 3.23Å; D352-T356 WeakPolarHBondContact OD2-CB 3.23Å; D352-T356 PolarHBondContact OD2-OG1 2.63Å; A354-T356 VanDerWaalsContact C-N 3.25Å; A354-T356 PolarHBondContact O-N 2.9Å; T356-I358 PolarHBondContact O-N 3.46Å | ||
| 357 | I | 88.5 | Confident | 90.5 | Very high | 55 Ų | 55 | 25.8 Ų | 25.8 | 28% | 0.282 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 114.9 | 174.7 | -55.1 | -170.1 | 0 | 0 | 0 | 109.2 | M351 F355 S360 L859 | M351-I357 HydrophobicContact CE-CD1 3.81Å; M351-I357 HydrophobicContact CE-CG1 3.7Å; M351-I357 HydrophobicContact CG-CG1 4.23Å; M351-I357 HydrophobicContact SD-CG1 4.27Å; F355-I357 PolarHBondContact O-N 3.49Å; I357-S360 VanDerWaalsContact CG2-OG 3.23Å; I357-S360 WeakPolarHBondContact CG2-OG 3.38Å; I357-L859 HydrophobicContact CD1-CD1 3.6Å |
| 358 | I | 90.4 | Very high | 90 | Very high | 61 Ų | 61 | 25.6 Ų | 25.6 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -42 | 175.3 | -64.3 | 163.3 | 0 | 0 | 0 | 109.7 | Y19 I338 I350 D352 T356 | Y19-I358 HydrophobicContact CE1-CD1 4.37Å; Y19-I358 HydrophobicContact CE1-CG2 4.24Å; I338-I358 HydrophobicContact CD1-CD1 3.3Å; I350-I358 PolarHBondContact O-N 3.03Å; D352-I358 HydrophobicContact CB-CD1 4.11Å; T356-I358 PolarHBondContact O-N 3.46Å |
| 359 | Y | 92.1 | Very high | 89.3 | Confident | 53 Ų | 53 | 30.5 Ų | 30.5 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 150.3 | -177.4 | -178.4 | -101.1 | 0 | 0 | 0 | 111.6 | I26 L37 F348 H349 I350 K361 | I26-Y359 HydrophobicContact CD1-CD1 3.54Å; I26-Y359 HydrophobicContact CD1-CD2 4.1Å; I26-Y359 HydrophobicContact CD1-CE1 4.13Å; I26-Y359 HydrophobicContact CD1-CG 3.49Å; I26-Y359 VanDerWaalsContact CD1-CG 3.49Å; L37-Y359 HydrophobicContact CD2-CD2 4.48Å; L37-Y359 HydrophobicContact CD2-CE1 3.74Å; L37-Y359 HydrophobicContact CD2-CE2 3.71Å; L37-Y359 WeakPolarHBondContact CD2-OH 3.22Å; F348-Y359 AromaticContact CE2-CD1 3.96Å; F348-Y359 HydrophobicContact CE2-CD1 3.96Å; F348-Y359 AromaticContact CE2-CE1 3.9Å; F348-Y359 HydrophobicContact CE2-CE1 3.9Å; F348-Y359 HydrophobicContact CZ-CE1 4.11Å; H349-Y359 WeakPolarHBondContact CA-O 3.31Å; I350-Y359 HydrophobicContact CD1-CD1 4.24Å; I350-Y359 PolarHBondContact N-O 2.91Å; I350-Y359 PolarHBondContact O-N 3.32Å; Y359-K361 HydrophobicContact CE1-CB 3.77Å |
| 360 | S | 91.4 | Very high | 88.6 | Confident | 54 Ų | 54 | 31.5 Ų | 31.5 | 38% | 0.378 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.9 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | F348 H349 I357 | F348-S360 WeakPolarHBondContact O-CA 3.19Å; H349-S360 WeakPolarHBondContact ND1-CB 3.45Å; H349-S360 PolarHBondContact ND1-OG 3.43Å; I357-S360 VanDerWaalsContact CG2-OG 3.23Å; I357-S360 WeakPolarHBondContact CG2-OG 3.38Å |
| 361 | K | 91.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.2 | 172 | -173.4 | 65.9 | 165.8 | -167.8 | 0 | 110 | I12 S347 F348 Y359 E421 | I12-K361 HydrophobicContact CD1-CB 4.25Å; I12-K361 HydrophobicContact CD1-CG 3.76Å; S347-K361 VanDerWaalsContact CA-O 3.26Å; S347-K361 WeakPolarHBondContact CA-O 3.47Å; S347-K361 WeakPolarHBondContact CB-O 3.43Å; F348-K361 HydrophobicContact CD1-CB 4.23Å; F348-K361 HydrophobicContact CE1-CB 3.68Å; F348-K361 HydrophobicContact CE1-CG 4.15Å; F348-K361 HydrophobicContact CE2-CB 4.03Å; F348-K361 HydrophobicContact CZ-CB 3.56Å; F348-K361 HydrophobicContact CZ-CG 4.27Å; F348-K361 PolarHBondContact N-O 3.31Å; F348-K361 PolarHBondContact O-N 3.11Å; Y359-K361 HydrophobicContact CE1-CB 3.77Å; K361-E421 IonicContact NZ-OE2 2.68Å |
| 362 | Q | 89.9 | Confident | 86.7 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 20% | 0.201 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.8 | 170.2 | -179 | 59.3 | 72.2 | 0 | 0 | 108.9 | N345 N346 S347 M365 | N345-Q362 PolarHBondContact ND2-OE1 2.82Å; N345-Q362 PolarHBondContact O-NE2 3.2Å; N346-Q362 PolarHBondContact O-NE2 3.42Å; S347-Q362 VanDerWaalsContact CB-OE1 3.31Å; Q362-M365 HydrophobicContact CG-CG 4.4Å |
| 363 | G | 90.1 | Very high | 85.7 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | trans | -89.2 | -174.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I12 N346 M365 | I12-G363 VanDerWaalsContact CD1-N 3.3Å; N346-G363 WeakPolarHBondContact O-CA 3.45Å; N346-G363 PolarHBondContact O-N 2.98Å; G363-M365 PolarHBondContact O-N 3.18Å; G363-M365 VanDerWaalsContact O-N 3.08Å | ||
| 364 | F | 91.3 | Very high | 84.8 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -58.5 | 116.6 | 171.9 | -172.2 | -95.3 | 0 | 0 | 0 | 110.2 | N346 T405 L816 L830 | N346-F364 WeakPolarHBondContact CB-O 3.43Å; N346-F364 PolarHBondContact ND2-N 3.05Å; N346-F364 PolarHBondContact ND2-O 3.34Å; F364-T405 HydrophobicContact CE2-CG2 3.91Å; F364-T405 HydrophobicContact CZ-CG2 3.98Å; F364-L816 HydrophobicContact CE1-CD1 4.45Å; F364-L816 HydrophobicContact CZ-CD1 4Å; F364-L830 HydrophobicContact CE2-CB 4.15Å; F364-L830 HydrophobicContact CE2-CD2 4.31Å; F364-L830 HydrophobicContact CZ-CB 4.37Å |
| 365 | M | 89.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | trans | -63.1 | 138.8 | -170 | -71.8 | -160.2 | -69.3 | 0 | 0 | 110.8 | Q362 G363 G408 K411 Q413 K426 | Q362-M365 HydrophobicContact CG-CG 4.4Å; G363-M365 PolarHBondContact O-N 3.18Å; G363-M365 VanDerWaalsContact O-N 3.08Å; M365-G408 VanDerWaalsContact CE-N 3.3Å; M365-K411 HydrophobicContact CE-CB 4.04Å; M365-Q413 HydrophobicContact CE-CB 3.77Å; M365-Q413 HydrophobicContact CE-CG 4.41Å; M365-Q413 PolarHBondContact O-NE2 2.89Å; M365-K426 HydrophobicContact CE-CB 4.47Å; M365-K426 HydrophobicContact CE-CG 4.15Å; M365-K426 HydrophobicContact SD-CG 4.33Å | ||
| 366 | Q | 88.2 | Confident | 82.5 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | trans | -118.8 | 156.1 | 177.8 | -62.7 | -65.3 | -26.9 | 0 | 0 | 110.7 | L11 N346 Y828 | L11-Q366 HydrophobicContact CD2-CG 3.75Å; N346-Q366 HydrophobicContact CB-CB 4.49Å; N346-Q366 HydrophobicContact CB-CG 4.05Å; Q366-Y828 PolarHBondContact NE2-O 2.89Å | ||
| 367 | F | 83.6 | Confident | 81.1 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | trans | -70.7 | 136.3 | 165.9 | -169.8 | -103.7 | 0 | 0 | 0 | 109.6 | K369 W371 F372 I374 F378 M380 P444 | F367-K369 PolarHBondContact O-N 3.27Å; F367-W371 HydrophobicContact CE1-CB 3.58Å; F367-W371 HydrophobicContact CE1-CD2 4.43Å; F367-W371 AromaticContact CE1-CE3 3.81Å; F367-W371 HydrophobicContact CE1-CE3 3.81Å; F367-W371 HydrophobicContact CE1-CG 4.41Å; F367-W371 AromaticContact CE2-CE3 3.83Å; F367-W371 HydrophobicContact CE2-CE3 3.83Å; F367-W371 HydrophobicContact CE2-CZ3 4.18Å; F367-W371 HydrophobicContact CZ-CB 4.05Å; F367-W371 HydrophobicContact CZ-CD2 4.18Å; F367-W371 AromaticContact CZ-CE3 3.38Å; F367-W371 HydrophobicContact CZ-CE3 3.38Å; F367-W371 HydrophobicContact CZ-CG 4.49Å; F367-W371 HydrophobicContact CZ-CZ3 4.16Å; F367-F372 HydrophobicContact CB-CE2 4.41Å; F367-F372 HydrophobicContact CB-CZ 4.41Å; F367-F372 HydrophobicContact CD1-CD2 4.34Å; F367-F372 AromaticContact CD1-CE2 3.68Å; F367-F372 HydrophobicContact CD1-CE2 3.68Å; F367-F372 AromaticContact CD1-CZ 3.93Å; F367-F372 HydrophobicContact CD1-CZ 3.93Å; F367-I374 HydrophobicContact CD1-CD1 4.24Å; F367-I374 HydrophobicContact CD1-CG1 4.4Å; F367-I374 HydrophobicContact CE1-CD1 4.3Å; F367-I374 HydrophobicContact CE1-CG1 4.07Å; F367-F378 AromaticContact CE2-CE1 3.94Å; F367-F378 HydrophobicContact CE2-CE1 3.94Å; F367-F378 AromaticContact CZ-CE1 3.8Å; F367-F378 HydrophobicContact CZ-CE1 3.8Å; F367-M380 HydrophobicContact CB-SD 4.4Å; F367-M380 HydrophobicContact CD2-CE 4.32Å; F367-M380 HydrophobicContact CD2-SD 3.47Å; F367-M380 WeakPolarHBondContact CD2-SD 3.46Å; F367-M380 HydrophobicContact CE2-CE 4.06Å; F367-M380 HydrophobicContact CE2-SD 3.78Å; F367-M380 HydrophobicContact CG-SD 3.92Å; F367-M380 HydrophobicContact CZ-SD 4.43Å; F367-P444 HydrophobicContact CZ-CB 4.3Å | ||
| 368 | P | 83.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -55.6 | 135.4 | -178.6 | -29.5 | 38.3 | 0 | 0 | 0 | 113.3 | Y323 E344 H370 W371 F372 | Y323-P368 HydrophobicContact CD1-CG 4.23Å; E344-P368 HydrophobicContact CB-CB 3.98Å; E344-P368 HydrophobicContact CB-CG 4.44Å; E344-P368 VanDerWaalsContact OE2-C 3.3Å; E344-P368 VanDerWaalsContact OE2-CA 3.3Å; E344-P368 WeakPolarHBondContact OE2-CA 3.06Å; E344-P368 WeakPolarHBondContact OE2-CB 3.25Å; P368-H370 VanDerWaalsContact C-N 3.35Å; P368-H370 WeakPolarHBondContact CB-CE1 3.16Å; P368-H370 VanDerWaalsContact CB-ND1 3.33Å; P368-H370 WeakPolarHBondContact CB-ND1 3.34Å; P368-H370 PolarHBondContact O-N 2.91Å; P368-W371 HydrophobicContact CB-CD2 4.42Å; P368-W371 HydrophobicContact CB-CE3 3.8Å; P368-W371 HydrophobicContact CB-CZ3 4.03Å; P368-W371 HydrophobicContact CG-CE3 3.82Å; P368-W371 HydrophobicContact CG-CH2 4.37Å; P368-W371 HydrophobicContact CG-CZ3 3.59Å; P368-F372 WeakPolarHBondContact O-CD2 3.22Å; P368-F372 WeakPolarHBondContact O-CE2 3.31Å | ||
| 369 | K | 80.5 | Confident | 78.8 | Confident | 103 Ų | 103 | 45.2 Ų | 45.2 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -70.8 | -31.6 | -173.1 | -77.2 | -176 | -179.2 | 174 | 0 | 112.7 | E344 F367 W371 F372 E824 | E344-K369 PolarHBondContact OE2-N 3.02Å; F367-K369 PolarHBondContact O-N 3.27Å; K369-W371 PolarHBondContact O-N 3.16Å; K369-F372 WeakPolarHBondContact O-CD2 3.37Å; K369-F372 PolarHBondContact O-N 3.33Å; K369-E824 WeakPolarHBondContact CE-OE2 3.46Å; K369-E824 IonicContact NZ-OE1 3.7Å; K369-E824 PolarHBondContact NZ-OE1 2.98Å; K369-E824 IonicContact NZ-OE2 3.02Å; K369-E824 PolarHBondContact NZ-OE2 2.72Å |
| 370 | H | 79.4 | Confident | 78 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -63.6 | -21.5 | -176.7 | 69.8 | -77.9 | 0 | 0 | 0 | 113.5 | L296 E344 P368 F372 | L296-H370 WeakPolarHBondContact CD1-CD2 3.44Å; L296-H370 VanDerWaalsContact CD1-NE2 3.33Å; L296-H370 WeakPolarHBondContact CD1-NE2 3.22Å; E344-H370 VanDerWaalsContact CD-ND1 3.27Å; E344-H370 IonicContact OE1-CG 2.67Å; E344-H370 IonicContact OE1-ND1 3.42Å; E344-H370 PolarHBondContact OE1-ND1 2.78Å; E344-H370 IonicContact OE2-CE1 3.26Å; E344-H370 IonicContact OE2-CG 2.76Å; E344-H370 PolarHBondContact OE2-N 2.94Å; E344-H370 IonicContact OE2-ND1 3.63Å; E344-H370 PolarHBondContact OE2-ND1 2.89Å; P368-H370 VanDerWaalsContact C-N 3.35Å; P368-H370 WeakPolarHBondContact CB-CE1 3.16Å; P368-H370 VanDerWaalsContact CB-ND1 3.33Å; P368-H370 WeakPolarHBondContact CB-ND1 3.34Å; P368-H370 PolarHBondContact O-N 2.91Å; H370-F372 VanDerWaalsContact C-N 3.34Å |
| 371 | W | 75.1 | Confident | 77.4 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -88.8 | 7.3 | 175.7 | -67.5 | -35.2 | 0 | 0 | 0 | 114.4 | F367 P368 K369 P373 L434 S441 H443 P444 V445 | F367-W371 HydrophobicContact CE1-CB 3.58Å; F367-W371 HydrophobicContact CE1-CD2 4.43Å; F367-W371 AromaticContact CE1-CE3 3.81Å; F367-W371 HydrophobicContact CE1-CE3 3.81Å; F367-W371 HydrophobicContact CE1-CG 4.41Å; F367-W371 AromaticContact CE2-CE3 3.83Å; F367-W371 HydrophobicContact CE2-CE3 3.83Å; F367-W371 HydrophobicContact CE2-CZ3 4.18Å; F367-W371 HydrophobicContact CZ-CB 4.05Å; F367-W371 HydrophobicContact CZ-CD2 4.18Å; F367-W371 AromaticContact CZ-CE3 3.38Å; F367-W371 HydrophobicContact CZ-CE3 3.38Å; F367-W371 HydrophobicContact CZ-CG 4.49Å; F367-W371 HydrophobicContact CZ-CZ3 4.16Å; P368-W371 HydrophobicContact CB-CD2 4.42Å; P368-W371 HydrophobicContact CB-CE3 3.8Å; P368-W371 HydrophobicContact CB-CZ3 4.03Å; P368-W371 HydrophobicContact CG-CE3 3.82Å; P368-W371 HydrophobicContact CG-CH2 4.37Å; P368-W371 HydrophobicContact CG-CZ3 3.59Å; K369-W371 PolarHBondContact O-N 3.16Å; W371-P373 CarbonylContact O-C 3.58Å; W371-L434 HydrophobicContact CH2-CD2 4.3Å; W371-S441 PolarHBondContact NE1-O 3.17Å; W371-H443 PolarHBondContact NE1-O 2.86Å; W371-P444 HydrophobicContact CD2-CB 3.86Å; W371-P444 VanDerWaalsContact CE2-CA 3.41Å; W371-P444 HydrophobicContact CE3-CB 4.04Å; W371-P444 HydrophobicContact CG-CB 4.17Å; W371-P444 HydrophobicContact CZ3-CB 4.45Å; W371-V445 HydrophobicContact CH2-CB 4.18Å; W371-V445 HydrophobicContact CH2-CG2 3.96Å; W371-V445 HydrophobicContact CZ2-CB 4.23Å; W371-V445 HydrophobicContact CZ2-CG2 3.69Å |
| 372 | F | 74.8 | Confident | 77.1 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 26% | 0.259 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -87.8 | 142.3 | 170.5 | -72 | -90.4 | 0 | 0 | 0 | 111.6 | F367 P368 K369 H370 I374 | F367-F372 HydrophobicContact CB-CE2 4.41Å; F367-F372 HydrophobicContact CB-CZ 4.41Å; F367-F372 HydrophobicContact CD1-CD2 4.34Å; F367-F372 AromaticContact CD1-CE2 3.68Å; F367-F372 HydrophobicContact CD1-CE2 3.68Å; F367-F372 AromaticContact CD1-CZ 3.93Å; F367-F372 HydrophobicContact CD1-CZ 3.93Å; P368-F372 WeakPolarHBondContact O-CD2 3.22Å; P368-F372 WeakPolarHBondContact O-CE2 3.31Å; K369-F372 WeakPolarHBondContact O-CD2 3.37Å; K369-F372 PolarHBondContact O-N 3.33Å; H370-F372 VanDerWaalsContact C-N 3.34Å; F372-I374 HydrophobicContact CD1-CD1 3.99Å; F372-I374 HydrophobicContact CD1-CG1 3.74Å; F372-I374 HydrophobicContact CE1-CD1 3.34Å; F372-I374 HydrophobicContact CE1-CG1 3.65Å; F372-I374 HydrophobicContact CG-CG1 4.39Å; F372-I374 HydrophobicContact CZ-CD1 3.82Å; F372-I374 HydrophobicContact CZ-CG1 4.28Å |
| 373 | P | 68.6 | Low | 77 | Confident | 123 Ų | 123 | 43 Ų | 43 | 80% | 0.799 | 25% | 0.249 | S | C | * | . | S | Bend | cis | -74.5 | 136.3 | 1.1 | 31 | -34 | 0 | 0 | 0 | 111.8 | W371 | W371-P373 CarbonylContact O-C 3.58Š|
| 374 | I | 67.2 | Low | 77 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.185 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 128.2 | 178.1 | -63.1 | 168.5 | 0 | 0 | 0 | 109.2 | F367 F372 A376 F378 M380 | F367-I374 HydrophobicContact CD1-CD1 4.24Å; F367-I374 HydrophobicContact CD1-CG1 4.4Å; F367-I374 HydrophobicContact CE1-CD1 4.3Å; F367-I374 HydrophobicContact CE1-CG1 4.07Å; F372-I374 HydrophobicContact CD1-CD1 3.99Å; F372-I374 HydrophobicContact CD1-CG1 3.74Å; F372-I374 HydrophobicContact CE1-CD1 3.34Å; F372-I374 HydrophobicContact CE1-CG1 3.65Å; F372-I374 HydrophobicContact CG-CG1 4.39Å; F372-I374 HydrophobicContact CZ-CD1 3.82Å; F372-I374 HydrophobicContact CZ-CG1 4.28Å; I374-A376 PolarHBondContact O-N 2.65Å; I374-F378 HydrophobicContact CG2-CB 3.86Å; I374-F378 HydrophobicContact CG2-CD1 3.66Å; I374-F378 HydrophobicContact CG2-CG 4.26Å; I374-F378 WeakPolarHBondContact CG2-O 3.18Å; I374-M380 HydrophobicContact CD1-CG 3.83Å |
| 375 | P | 65.3 | Low | 76.8 | Confident | 44 Ų | 44 | 44.7 Ų | 44.7 | 29% | 0.286 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 139.6 | 175.8 | -26.9 | 34.7 | 0 | 0 | 0 | 111.5 | A377 F378 | P375-A377 PolarHBondContact O-N 2.84Å; P375-F378 PolarHBondContact O-N 3.11Å |
| 376 | A | 62.5 | Low | 76.5 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I374 F378 | I374-A376 PolarHBondContact O-N 2.65Å; A376-F378 VanDerWaalsContact C-N 3.27Å; A376-F378 PolarHBondContact O-N 3.18Å |
| 377 | A | 59.7 | Low | 75.9 | Confident | 66 Ų | 66 | 45 Ų | 45 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P375 A475 | P375-A377 PolarHBondContact O-N 2.84Å; A377-A475 HydrophobicContact CB-CB 4.39Å |
| 378 | F | 63.4 | Low | 75 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | trans | -104.1 | 86.4 | -174.8 | -165 | -111.9 | 0 | 0 | 0 | 110 | F367 I374 P375 A376 M380 P444 H447 K472 L474 | F367-F378 AromaticContact CE2-CE1 3.94Å; F367-F378 HydrophobicContact CE2-CE1 3.94Å; F367-F378 AromaticContact CZ-CE1 3.8Å; F367-F378 HydrophobicContact CZ-CE1 3.8Å; I374-F378 HydrophobicContact CG2-CB 3.86Å; I374-F378 HydrophobicContact CG2-CD1 3.66Å; I374-F378 HydrophobicContact CG2-CG 4.26Å; I374-F378 WeakPolarHBondContact CG2-O 3.18Å; P375-F378 PolarHBondContact O-N 3.11Å; A376-F378 VanDerWaalsContact C-N 3.27Å; A376-F378 PolarHBondContact O-N 3.18Å; F378-M380 HydrophobicContact CD1-CE 3.59Å; F378-M380 HydrophobicContact CE1-CE 2.94Å; F378-M380 HydrophobicContact CE1-SD 4.21Å; F378-M380 HydrophobicContact CE2-CE 4.35Å; F378-M380 HydrophobicContact CZ-CE 3.38Å; F378-P444 HydrophobicContact CD1-CG 4.45Å; F378-P444 HydrophobicContact CE1-CB 4.44Å; F378-P444 HydrophobicContact CE1-CG 4.27Å; F378-P444 HydrophobicContact CZ-CG 4.45Å; F378-H447 AromaticContact CZ-CE1 3.98Å; F378-K472 HydrophobicContact CD2-CB 3.87Å; F378-K472 HydrophobicContact CD2-CD 3.86Å; F378-K472 HydrophobicContact CD2-CG 4.47Å; F378-K472 HydrophobicContact CE2-CB 3.74Å; F378-K472 HydrophobicContact CE2-CD 3.9Å; F378-K472 HydrophobicContact CE2-CG 4.28Å; F378-L474 HydrophobicContact CB-CD1 4.46Å; F378-L474 HydrophobicContact CD2-CD1 4.35Å | ||
| 379 | M | 67.6 | Low | 73.5 | Confident | 125 Ų | 125 | 50.1 Ų | 50.1 | 62% | 0.616 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 132.8 | 170.1 | -69 | -159.5 | 68.6 | 0 | 0 | 110 | K472 | M379-K472 PolarHBondContact O-NZ 2.78Š|
| 380 | M | 74.6 | Confident | 72.2 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 137.5 | 170.5 | -71.9 | -77.9 | 79.5 | 0 | 0 | 110.1 | F367 I374 F378 | F367-M380 HydrophobicContact CB-SD 4.4Å; F367-M380 HydrophobicContact CD2-CE 4.32Å; F367-M380 HydrophobicContact CD2-SD 3.47Å; F367-M380 WeakPolarHBondContact CD2-SD 3.46Å; F367-M380 HydrophobicContact CE2-CE 4.06Å; F367-M380 HydrophobicContact CE2-SD 3.78Å; F367-M380 HydrophobicContact CG-SD 3.92Å; F367-M380 HydrophobicContact CZ-SD 4.43Å; I374-M380 HydrophobicContact CD1-CG 3.83Å; F378-M380 HydrophobicContact CD1-CE 3.59Å; F378-M380 HydrophobicContact CE1-CE 2.94Å; F378-M380 HydrophobicContact CE1-SD 4.21Å; F378-M380 HydrophobicContact CE2-CE 4.35Å; F378-M380 HydrophobicContact CZ-CE 3.38Å |
| 381 | P | 79.3 | Confident | 70.6 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 141.3 | 170.7 | -16 | 29.5 | 0 | 0 | 0 | 110.5 | N406 E449 V450 L451 | P381-N406 WeakPolarHBondContact CB-OD1 3.25Å; P381-E449 HydrophobicContact CG-CB 4.09Å; P381-V450 VanDerWaalsContact CB-O 3.26Å; P381-V450 WeakPolarHBondContact CB-O 3.3Å; P381-V450 WeakPolarHBondContact CG-O 3.32Å; P381-L451 HydrophobicContact CG-CD2 3.86Å |
| 382 | E | 84.7 | Confident | 69.1 | Low | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | trans | -119.8 | 33.5 | -172.6 | -61.6 | 173.8 | 167 | 0 | 0 | 110.6 | V795 S796 | E382-V795 HydrophobicContact CB-CB 4.17Å; E382-V795 HydrophobicContact CB-CG2 4.23Å; E382-V795 VanDerWaalsContact CD-CB 3.5Å; E382-V795 HydrophobicContact CG-CB 3.91Å; E382-V795 HydrophobicContact CG-CG1 4.45Å; E382-V795 HydrophobicContact CG-CG2 4.15Å; E382-V795 WeakPolarHBondContact OE1-CG1 3.43Å; E382-S796 WeakPolarHBondContact O-CB 2.88Å; E382-S796 PolarHBondContact O-OG 3.32Å | ||
| 383 | N | 88.6 | Confident | 67.5 | Low | 34 Ų | 34 | 62.3 Ų | 62.3 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | trans | -73 | 135.5 | -175.9 | -55.4 | -62.3 | 0 | 0 | 0 | 110.9 | T405 N406 V450 L451 M453 | N383-T405 VanDerWaalsContact O-CA 3.31Å; N383-T405 WeakPolarHBondContact O-CA 3.16Å; N383-T405 WeakPolarHBondContact O-CB 3.31Å; N383-T405 PolarHBondContact O-OG1 2.66Å; N383-N406 WeakPolarHBondContact CB-OD1 3.35Å; N383-N406 PolarHBondContact N-OD1 3.26Å; N383-N406 PolarHBondContact ND2-OD1 2.88Å; N383-N406 PolarHBondContact O-N 3Å; N383-V450 PolarHBondContact ND2-O 2.77Å; N383-L451 PolarHBondContact ND2-O 3.21Å; N383-L451 PolarHBondContact OD1-O 2.73Å; N383-M453 HydrophobicContact CB-CE 3.3Å; N383-M453 HydrophobicContact CB-CG 4.04Å; N383-M453 HydrophobicContact CB-SD 3.97Å | ||
| 384 | L | 90.2 | Very high | 66.2 | Low | 19 Ų | 19 | 62.2 Ų | 62.2 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 126.3 | 174.3 | 176.9 | 66 | 0 | 0 | 0 | 108 | L403 L404 S796 C798 V814 L816 L830 | L384-L403 HydrophobicContact CD1-CD2 4.4Å; L384-L404 WeakPolarHBondContact CA-O 3.48Å; L384-S796 WeakPolarHBondContact CB-OG 3.33Å; L384-C798 HydrophobicContact CD2-CB 3.94Å; L384-C798 HydrophobicContact CG-CB 3.97Å; L384-V814 HydrophobicContact CD1-CG1 4.41Å; L384-V814 HydrophobicContact CD2-CG1 4.09Å; L384-L816 HydrophobicContact CD2-CB 4.31Å; L384-L830 HydrophobicContact CD1-CD1 4.04Å |
| 385 | M | 86.1 | Confident | 65 | Low | 25 Ų | 25 | 67.4 Ų | 67.4 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.5 | 177.1 | 68.8 | -170 | -40 | 0 | 0 | 111.4 | L403 L404 M453 Q455 F465 | M385-L403 WeakPolarHBondContact O-CA 3.43Å; M385-L404 HydrophobicContact CG-CB 3.58Å; M385-L404 HydrophobicContact CG-CD1 4.02Å; M385-L404 HydrophobicContact CG-CG 4.41Å; M385-L404 PolarHBondContact N-O 2.76Å; M385-L404 PolarHBondContact O-N 2.92Å; M385-L404 HydrophobicContact SD-CB 4.07Å; M385-L404 HydrophobicContact SD-CD1 3.72Å; M385-M453 HydrophobicContact CG-CE 3.89Å; M385-M453 HydrophobicContact SD-CB 4Å; M385-M453 HydrophobicContact SD-CE 3.64Å; M385-M453 HydrophobicContact SD-SD 4.4Å; M385-Q455 HydrophobicContact CE-CB 3.54Å; M385-F465 HydrophobicContact CE-CD2 3.94Å; M385-F465 HydrophobicContact CE-CE2 3.78Å; M385-F465 HydrophobicContact SD-CD2 3.78Å; M385-F465 HydrophobicContact SD-CE2 3.27Å; M385-F465 WeakPolarHBondContact SD-CE2 3.38Å; M385-F465 HydrophobicContact SD-CZ 3.97Å |
| 386 | T | 84 | Confident | 63.8 | Low | 22 Ų | 22 | 71.9 Ų | 71.9 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.3 | 172.5 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | Y402 L403 Q455 C798 I800 | T386-Y402 WeakPolarHBondContact CA-O 3.48Å; T386-L403 HydrophobicContact CG2-CD2 3.43Å; T386-L403 VanDerWaalsContact CG2-CD2 3.43Å; T386-Q455 PolarHBondContact O-OE1 2.8Å; T386-C798 HydrophobicContact CG2-CB 4.41Å; T386-C798 VanDerWaalsContact CG2-SG 3.54Å; T386-I800 HydrophobicContact CG2-CG1 3.83Å |
| 387 | L | 76 | Confident | 62.9 | Low | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.2 | 166.7 | -67.7 | 162.8 | 0 | 0 | 0 | 108.4 | S389 Y402 L404 L414 Q455 F520 | L387-S389 PolarHBondContact O-N 2.83Å; L387-Y402 PolarHBondContact N-O 2.87Å; L387-L404 HydrophobicContact CD1-CD1 3.48Å; L387-L404 VanDerWaalsContact CD1-CD1 3.48Å; L387-L404 HydrophobicContact CD1-CD2 4.31Å; L387-L404 HydrophobicContact CD1-CG 3.61Å; L387-L404 HydrophobicContact CD2-CD1 3.69Å; L387-L404 HydrophobicContact CG-CD1 3.58Å; L387-L404 HydrophobicContact CG-CG 4.05Å; L387-L414 HydrophobicContact CD1-CD1 3.6Å; L387-Q455 HydrophobicContact CD2-CG 4.5Å; L387-F520 HydrophobicContact CD1-CE1 4.44Å; L387-F520 HydrophobicContact CD1-CE2 4.35Å; L387-F520 HydrophobicContact CD1-CZ 3.56Å |
| 388 | Q | 63.8 | Low | 62.3 | Low | 86 Ų | 86 | 73.9 Ų | 73.9 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | trans | -79.7 | 115 | 162.1 | -72.4 | -170.7 | -64.7 | 0 | 0 | 109.1 | T463 P801 | Q388-T463 WeakPolarHBondContact O-CG2 3.41Å; Q388-P801 HydrophobicContact CG-CG 3.57Å; Q388-P801 VanDerWaalsContact NE2-CB 3.3Å | ||
| 389 | S | 52.8 | Low | 61.6 | Low | 35 Ų | 35 | 76.4 Ų | 76.4 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | trans | -81.3 | 119.7 | 159.8 | 152.2 | 0 | 0 | 0 | 0 | 107.7 | L387 L391 | L387-S389 PolarHBondContact O-N 2.83Å; S389-L391 WeakPolarHBondContact OG-CB 3.23Å; S389-L391 WeakPolarHBondContact OG-CD1 3.17Å; S389-L391 WeakPolarHBondContact OG-CG 3.45Å; S389-L391 PolarHBondContact OG-N 3.44Å | ||
| 390 | K | 51.9 | Low | 61.4 | Low | 152 Ų | 152 | 71.9 Ų | 71.9 | 66% | 0.661 | 38% | 0.378 | S | S | * | . | trans | -91.7 | 40.5 | 160.3 | -72.5 | -172.4 | 178.1 | -178.6 | 0 | 109.7 | S392 | K390-S392 PolarHBondContact O-N 2.85Š| ||
| 391 | L | 47.6 | Very low | 61.4 | Low | 42 Ų | 42 | 71.8 Ų | 71.8 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | trans | -73.1 | 103.6 | -177.5 | -69.9 | 153 | 0 | 0 | 0 | 108.2 | S389 H393 A461 E496 | S389-L391 WeakPolarHBondContact OG-CB 3.23Å; S389-L391 WeakPolarHBondContact OG-CD1 3.17Å; S389-L391 WeakPolarHBondContact OG-CG 3.45Å; S389-L391 PolarHBondContact OG-N 3.44Å; L391-H393 PolarHBondContact O-N 3.1Å; L391-H393 VanDerWaalsContact O-N 3.09Å; L391-A461 HydrophobicContact CD2-CB 3.9Å; L391-E496 WeakPolarHBondContact CB-OE1 3.39Å; L391-E496 HydrophobicContact CD1-CG 3.66Å; L391-E496 WeakPolarHBondContact CD1-OE1 3.29Å; L391-E496 VanDerWaalsContact CD2-CD 3.41Å; L391-E496 HydrophobicContact CD2-CG 3.68Å; L391-E496 VanDerWaalsContact CD2-OE1 3.29Å; L391-E496 WeakPolarHBondContact CD2-OE1 3.26Å; L391-E496 HydrophobicContact CG-CG 4.24Å; L391-E496 VanDerWaalsContact CG-OE1 3.28Å; L391-E496 WeakPolarHBondContact CG-OE1 3.36Å | ||
| 392 | S | 42.7 | Very low | 61.6 | Low | 103 Ų | 103 | 71.6 Ų | 71.6 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 6.5 | -163.9 | 56.5 | 0 | 0 | 0 | 0 | 115.6 | K390 | K390-S392 PolarHBondContact O-N 2.85Š|
| 393 | H | 41.2 | Very low | 61.7 | Low | 173 Ų | 173 | 68.7 Ų | 68.7 | 80% | 0.801 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | 11.8 | -163.5 | -89.5 | -66.2 | 0 | 0 | 0 | 117 | L391 | L391-H393 PolarHBondContact O-N 3.1Å; L391-H393 VanDerWaalsContact O-N 3.09Å |
| 394 | I | 42.2 | Very low | 61.7 | Low | 122 Ų | 122 | 67.1 Ų | 67.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -123.4 | 126.5 | 175.1 | -56 | 176 | 0 | 0 | 0 | 109 | ||
| 395 | D | 40.5 | Very low | 61.8 | Low | 145 Ų | 145 | 66.4 Ų | 66.4 | 78% | 0.775 | 35% | 0.351 | S | S | * | . | trans | -34 | 138.7 | 168.9 | -66.8 | -51 | 0 | 0 | 0 | 111.4 | E397 | D395-E397 PolarHBondContact O-N 2.85Š| ||
| 396 | D | 41.4 | Very low | 61.8 | Low | 137 Ų | 137 | 66 Ų | 66 | 73% | 0.733 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 14.9 | -168.1 | -135.1 | -5.1 | 0 | 0 | 0 | 116.9 | ||
| 397 | E | 42.9 | Very low | 61.7 | Low | 156 Ų | 156 | 65.8 Ų | 65.8 | 73% | 0.729 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -30.8 | -171.2 | -70.1 | -153.6 | 144.5 | 0 | 0 | 114.7 | D395 | D395-E397 PolarHBondContact O-N 2.85Š|
| 398 | L | 47.3 | Very low | 61.5 | Low | 60 Ų | 60 | 65.7 Ų | 65.7 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | trans | -152.8 | 91.8 | 169.8 | -73.5 | 100.9 | 0 | 0 | 0 | 111.2 | S400 N418 K837 A839 | L398-S400 PolarHBondContact O-N 3.33Å; L398-N418 HydrophobicContact CD2-CB 3.69Å; L398-K837 WeakPolarHBondContact CD2-O 3.43Å; L398-A839 HydrophobicContact CD1-CB 3.96Å; L398-A839 HydrophobicContact CD2-CB 4.2Å | ||
| 399 | S | 49.1 | Very low | 62 | Low | 65 Ų | 65 | 61.8 Ų | 61.8 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -49.8 | 108 | 153.9 | 167.1 | 0 | 0 | 0 | 0 | 107.4 | T401 N418 | S399-T401 VanDerWaalsContact C-N 3.34Å; S399-T401 PolarHBondContact O-N 3.29Å; S399-N418 PolarHBondContact O-ND2 2.81Å | ||
| 400 | S | 62.6 | Low | 63 | Low | 30 Ų | 30 | 60.1 Ų | 60.1 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | trans | -75.4 | 93.7 | 178.7 | -75.4 | 0 | 0 | 0 | 0 | 107.4 | L398 Y402 N416 | L398-S400 PolarHBondContact O-N 3.33Å; S400-Y402 VanDerWaalsContact CB-CE2 3.48Å; S400-Y402 WeakPolarHBondContact O-CD2 3.48Å; S400-Y402 WeakPolarHBondContact O-CE2 3.41Å; S400-Y402 PolarHBondContact O-N 2.84Å; S400-N416 WeakPolarHBondContact CB-ND2 3.22Å; S400-N416 PolarHBondContact OG-ND2 2.99Å | ||
| 401 | T | 75.7 | Confident | 64.5 | Low | 19 Ų | 19 | 53.4 Ų | 53.4 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | trans | -74.2 | 115.2 | 171.7 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | S399 V417 I800 | S399-T401 VanDerWaalsContact C-N 3.34Å; S399-T401 PolarHBondContact O-N 3.29Å; T401-V417 HydrophobicContact CG2-CG2 4.14Å; T401-V417 WeakPolarHBondContact O-CG2 3.24Å; T401-V417 PolarHBondContact O-N 2.96Å; T401-I800 HydrophobicContact CG2-CD1 4.15Å; T401-I800 HydrophobicContact CG2-CG1 4.13Å; T401-I800 HydrophobicContact CG2-CG2 4.07Å | ||
| 402 | Y | 82.1 | Confident | 66.4 | Low | 13 Ų | 13 | 51.4 Ų | 51.4 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 146.7 | 175.1 | -65.1 | -90.2 | 0 | 0 | 0 | 110.9 | T386 L387 S400 L414 M415 N416 F517 V518 | T386-Y402 WeakPolarHBondContact CA-O 3.48Å; L387-Y402 PolarHBondContact N-O 2.87Å; S400-Y402 VanDerWaalsContact CB-CE2 3.48Å; S400-Y402 WeakPolarHBondContact O-CD2 3.48Å; S400-Y402 WeakPolarHBondContact O-CE2 3.41Å; S400-Y402 PolarHBondContact O-N 2.84Å; Y402-L414 HydrophobicContact CD1-CD1 4.1Å; Y402-L414 HydrophobicContact CD1-CD2 3.87Å; Y402-L414 HydrophobicContact CD1-CG 3.92Å; Y402-L414 HydrophobicContact CE1-CD2 4.31Å; Y402-L414 HydrophobicContact CG-CD1 4.23Å; Y402-M415 CarbonylContact C-O 3.44Å; Y402-M415 WeakPolarHBondContact CA-O 3.3Å; Y402-N416 HydrophobicContact CD1-CB 4.12Å; Y402-N416 HydrophobicContact CE1-CB 3.96Å; Y402-F517 WeakPolarHBondContact OH-CB 3.23Å; Y402-V518 HydrophobicContact CD2-CG2 4.05Å; Y402-V518 HydrophobicContact CE1-CG2 4.22Å; Y402-V518 HydrophobicContact CE2-CG2 3.51Å |
| 403 | L | 87.8 | Confident | 68.7 | Low | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.9 | 174.4 | -68.1 | 168.5 | 0 | 0 | 0 | 109.2 | L384 M385 T386 L414 M415 V417 V814 L830 | L384-L403 HydrophobicContact CD1-CD2 4.4Å; M385-L403 WeakPolarHBondContact O-CA 3.43Å; T386-L403 HydrophobicContact CG2-CD2 3.43Å; T386-L403 VanDerWaalsContact CG2-CD2 3.43Å; L403-L414 WeakPolarHBondContact O-CA 3.37Å; L403-M415 HydrophobicContact CD1-CE 4.02Å; L403-M415 PolarHBondContact N-O 3.32Å; L403-M415 PolarHBondContact O-N 3Å; L403-V417 HydrophobicContact CD1-CG2 3.48Å; L403-V417 VanDerWaalsContact CD1-CG2 3.48Å; L403-V417 HydrophobicContact CD2-CG2 4.47Å; L403-V417 HydrophobicContact CG-CG2 3.66Å; L403-V814 HydrophobicContact CD1-CB 4.43Å; L403-V814 HydrophobicContact CD1-CG1 3.79Å; L403-V814 HydrophobicContact CD1-CG2 3.95Å; L403-V814 HydrophobicContact CD2-CB 4.4Å; L403-V814 HydrophobicContact CD2-CG1 4.29Å; L403-V814 HydrophobicContact CD2-CG2 4.17Å; L403-L830 HydrophobicContact CD1-CD2 3.67Å; L403-L830 HydrophobicContact CD1-CG 4.46Å |
| 404 | L | 88.5 | Confident | 70.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.5 | 167.6 | -71.6 | 162.2 | 0 | 0 | 0 | 108.3 | L384 M385 L387 I412 L414 I427 M453 F465 | L384-L404 WeakPolarHBondContact CA-O 3.48Å; M385-L404 HydrophobicContact CG-CB 3.58Å; M385-L404 HydrophobicContact CG-CD1 4.02Å; M385-L404 HydrophobicContact CG-CG 4.41Å; M385-L404 PolarHBondContact N-O 2.76Å; M385-L404 PolarHBondContact O-N 2.92Å; M385-L404 HydrophobicContact SD-CB 4.07Å; M385-L404 HydrophobicContact SD-CD1 3.72Å; L387-L404 HydrophobicContact CD1-CD1 3.48Å; L387-L404 VanDerWaalsContact CD1-CD1 3.48Å; L387-L404 HydrophobicContact CD1-CD2 4.31Å; L387-L404 HydrophobicContact CD1-CG 3.61Å; L387-L404 HydrophobicContact CD2-CD1 3.69Å; L387-L404 HydrophobicContact CG-CD1 3.58Å; L387-L404 HydrophobicContact CG-CG 4.05Å; L404-I412 HydrophobicContact CB-CG2 4.19Å; L404-I412 HydrophobicContact CD2-CG2 3.47Å; L404-I412 VanDerWaalsContact CD2-CG2 3.47Å; L404-I412 HydrophobicContact CG-CG2 4.43Å; L404-L414 HydrophobicContact CD2-CB 4.33Å; L404-L414 HydrophobicContact CD2-CD1 3.71Å; L404-L414 HydrophobicContact CG-CD1 3.94Å; L404-I427 HydrophobicContact CD2-CD1 4.02Å; L404-M453 HydrophobicContact CB-CE 4.37Å; L404-F465 HydrophobicContact CD1-CD1 4.44Å; L404-F465 HydrophobicContact CD1-CD2 4.37Å; L404-F465 HydrophobicContact CD1-CG 4.37Å |
| 405 | T | 91.2 | Very high | 73 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.6 | 173.1 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | F364 N383 G407 I412 Q413 | F364-T405 HydrophobicContact CE2-CG2 3.91Å; F364-T405 HydrophobicContact CZ-CG2 3.98Å; N383-T405 VanDerWaalsContact O-CA 3.31Å; N383-T405 WeakPolarHBondContact O-CA 3.16Å; N383-T405 WeakPolarHBondContact O-CB 3.31Å; N383-T405 PolarHBondContact O-OG1 2.66Å; T405-G407 PolarHBondContact O-N 2.76Å; T405-I412 WeakPolarHBondContact O-CG2 3.43Å; T405-Q413 HydrophobicContact CG2-CG 3.54Å; T405-Q413 PolarHBondContact N-O 2.75Å; T405-Q413 VanDerWaalsContact N-O 3.14Å; T405-Q413 WeakPolarHBondContact O-CG 3.33Å; T405-Q413 PolarHBondContact O-N 2.99Å |
| 406 | N | 87.6 | Confident | 75 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 136.7 | 170.1 | -71.3 | 97.4 | 0 | 0 | 0 | 110.9 | P381 N383 Q413 V450 | P381-N406 WeakPolarHBondContact CB-OD1 3.25Å; N383-N406 WeakPolarHBondContact CB-OD1 3.35Å; N383-N406 PolarHBondContact N-OD1 3.26Å; N383-N406 PolarHBondContact ND2-OD1 2.88Å; N383-N406 PolarHBondContact O-N 3Å; N406-Q413 PolarHBondContact O-NE2 2.84Å; N406-V450 PolarHBondContact ND2-O 2.95Å |
| 407 | G | 80.1 | Confident | 76.9 | Confident | 17 Ų | 17 | 21.2 Ų | 21.2 | 18% | 0.175 | 12% | 0.119 | C | C | . | . | trans | -101.3 | -146.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T405 K411 | T405-G407 PolarHBondContact O-N 2.76Å; G407-K411 WeakPolarHBondContact CA-O 3.17Å; G407-K411 PolarHBondContact N-O 3.31Å | ||
| 408 | G | 73.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -69.3 | 173.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y323 M365 G410 K411 | Y323-G408 VanDerWaalsContact OH-CA 3.29Å; Y323-G408 WeakPolarHBondContact OH-CA 3.3Å; M365-G408 VanDerWaalsContact CE-N 3.3Å; G408-G410 PolarHBondContact O-N 3.34Å; G408-G410 VanDerWaalsContact O-N 3.11Å; G408-K411 WeakPolarHBondContact O-CB 3.4Å; G408-K411 PolarHBondContact O-N 3.19Å |
| 409 | C | 73.8 | Confident | 80 | Confident | 4 Ų | 4 | 13.4 Ų | 13.4 | 3% | 0.027 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -38.3 | 110.3 | -177.6 | -64.4 | 0 | 0 | 0 | 0 | 114.4 | Y323 K411 L434 H447 | Y323-C409 PolarHBondContact OH-N 3.41Å; C409-K411 VanDerWaalsContact C-N 3.34Å; C409-K411 PolarHBondContact O-N 3.47Å; C409-L434 HydrophobicContact CB-CD1 3.94Å; C409-H447 WeakPolarHBondContact CA-NE2 3.2Å; C409-H447 WeakPolarHBondContact CB-CD2 3.31Å; C409-H447 WeakPolarHBondContact CB-NE2 3.46Å; C409-H447 PolarHBondContact SG-CE1 2.94Å; C409-H447 PolarHBondContact SG-NE2 2.65Å; C409-H447 VanDerWaalsContact SG-NE2 3.36Å |
| 410 | G | 73.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 19.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G408 I429 A448 E449 | G408-G410 PolarHBondContact O-N 3.34Å; G408-G410 VanDerWaalsContact O-N 3.11Å; G410-I429 PolarHBondContact O-N 3.17Å; G410-A448 WeakPolarHBondContact CA-O 3.33Å; G410-E449 PolarHBondContact N-OE2 3.24Å |
| 411 | K | 83.6 | Confident | 81.4 | Confident | 11 Ų | 11 | 15 Ų | 15 | 5% | 0.048 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.5 | 180 | -68.7 | 137.8 | -174.7 | -176.7 | 0 | 111.3 | Y323 M365 G407 G408 C409 K426 I427 D428 | Y323-K411 HydrophobicContact CE2-CD 4.46Å; Y323-K411 WeakPolarHBondContact OH-CD 2.93Å; Y323-K411 PolarHBondContact OH-NZ 3.27Å; M365-K411 HydrophobicContact CE-CB 4.04Å; G407-K411 WeakPolarHBondContact CA-O 3.17Å; G407-K411 PolarHBondContact N-O 3.31Å; G408-K411 WeakPolarHBondContact O-CB 3.4Å; G408-K411 PolarHBondContact O-N 3.19Å; C409-K411 VanDerWaalsContact C-N 3.34Å; C409-K411 PolarHBondContact O-N 3.47Å; K411-K426 HydrophobicContact CB-CG 4.34Å; K411-K426 HydrophobicContact CD-CD 4.05Å; K411-K426 HydrophobicContact CD-CG 4.32Å; K411-K426 VanDerWaalsContact CE-NZ 3.28Å; K411-K426 HydrophobicContact CG-CD 4.37Å; K411-K426 HydrophobicContact CG-CG 4.2Å; K411-I427 WeakPolarHBondContact CA-O 3.24Å; K411-I427 WeakPolarHBondContact CB-O 3.41Å; K411-D428 WeakPolarHBondContact CE-OD2 2.8Å; K411-D428 HydrophobicContact CG-CB 4.39Å; K411-D428 IonicContact NZ-OD2 2.73Å |
| 412 | I | 87.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.2 | 164.2 | -69.6 | 170.3 | 0 | 0 | 0 | 108 | L404 T405 I427 I429 V450 M453 F465 T467 | L404-I412 HydrophobicContact CB-CG2 4.19Å; L404-I412 HydrophobicContact CD2-CG2 3.47Å; L404-I412 VanDerWaalsContact CD2-CG2 3.47Å; L404-I412 HydrophobicContact CG-CG2 4.43Å; T405-I412 WeakPolarHBondContact O-CG2 3.43Å; I412-I427 PolarHBondContact N-O 2.7Å; I412-I427 PolarHBondContact O-N 3.08Å; I412-I429 HydrophobicContact CB-CD1 3.68Å; I412-I429 HydrophobicContact CD1-CD1 3.22Å; I412-I429 HydrophobicContact CG1-CD1 3.25Å; I412-V450 HydrophobicContact CD1-CG1 4.16Å; I412-V450 HydrophobicContact CD1-CG2 4.32Å; I412-V450 HydrophobicContact CG1-CB 4.49Å; I412-V450 HydrophobicContact CG1-CG2 4.23Å; I412-M453 HydrophobicContact CD1-SD 3.48Å; I412-M453 WeakPolarHBondContact CD1-SD 3.46Å; I412-M453 HydrophobicContact CG1-SD 4.07Å; I412-F465 HydrophobicContact CD1-CE1 3.66Å; I412-F465 HydrophobicContact CD1-CZ 3.99Å; I412-T467 HydrophobicContact CD1-CG2 3.6Å |
| 413 | Q | 89.4 | Confident | 81.1 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.1 | 169.8 | 53.7 | -173.8 | -28.5 | 0 | 0 | 110.4 | M365 T405 N406 V424 Q425 | M365-Q413 HydrophobicContact CE-CB 3.77Å; M365-Q413 HydrophobicContact CE-CG 4.41Å; M365-Q413 PolarHBondContact O-NE2 2.89Å; T405-Q413 HydrophobicContact CG2-CG 3.54Å; T405-Q413 PolarHBondContact N-O 2.75Å; T405-Q413 VanDerWaalsContact N-O 3.14Å; T405-Q413 WeakPolarHBondContact O-CG 3.33Å; T405-Q413 PolarHBondContact O-N 2.99Å; N406-Q413 PolarHBondContact O-NE2 2.84Å; Q413-V424 HydrophobicContact CB-CG1 3.56Å; Q413-V424 HydrophobicContact CG-CG1 4.47Å; Q413-Q425 WeakPolarHBondContact CA-O 3.27Å |
| 414 | L | 88.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134 | 174 | -177 | 79.6 | 0 | 0 | 0 | 108.8 | L387 Y402 L403 L404 Q425 I427 V518 F520 | L387-L414 HydrophobicContact CD1-CD1 3.6Å; Y402-L414 HydrophobicContact CD1-CD1 4.1Å; Y402-L414 HydrophobicContact CD1-CD2 3.87Å; Y402-L414 HydrophobicContact CD1-CG 3.92Å; Y402-L414 HydrophobicContact CE1-CD2 4.31Å; Y402-L414 HydrophobicContact CG-CD1 4.23Å; L403-L414 WeakPolarHBondContact O-CA 3.37Å; L404-L414 HydrophobicContact CD2-CB 4.33Å; L404-L414 HydrophobicContact CD2-CD1 3.71Å; L404-L414 HydrophobicContact CG-CD1 3.94Å; L414-Q425 HydrophobicContact CB-CB 4.26Å; L414-Q425 PolarHBondContact N-O 2.77Å; L414-Q425 PolarHBondContact O-N 3.09Å; L414-I427 HydrophobicContact CB-CD1 4.32Å; L414-V518 HydrophobicContact CD2-CB 4.27Å; L414-V518 HydrophobicContact CD2-CG1 4.3Å; L414-F520 HydrophobicContact CD1-CE2 3.97Å; L414-F520 HydrophobicContact CD1-CZ 4.41Å; L414-F520 HydrophobicContact CD2-CE2 3.9Å; L414-F520 HydrophobicContact CG-CE2 4.46Å |
| 415 | M | 86 | Confident | 80.5 | Confident | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.3 | 178 | -166.1 | -165.2 | 75.9 | 0 | 0 | 110.6 | L8 Y402 L403 G423 V424 L830 | L8-M415 HydrophobicContact CB-CE 3.64Å; L8-M415 HydrophobicContact CB-SD 4.2Å; L8-M415 HydrophobicContact CD1-CE 3.65Å; L8-M415 HydrophobicContact CG-CE 4.29Å; Y402-M415 CarbonylContact C-O 3.44Å; Y402-M415 WeakPolarHBondContact CA-O 3.3Å; L403-M415 HydrophobicContact CD1-CE 4.02Å; L403-M415 PolarHBondContact N-O 3.32Å; L403-M415 PolarHBondContact O-N 3Å; M415-G423 WeakPolarHBondContact CG-O 3.29Å; M415-V424 HydrophobicContact CG-CG2 4.29Å; M415-L830 HydrophobicContact CE-CD2 3.17Å; M415-L830 HydrophobicContact CE-CG 4.46Å; M415-L830 HydrophobicContact SD-CD2 3.82Å |
| 416 | N | 82.9 | Confident | 80.1 | Confident | 29 Ų | 29 | 22.5 Ų | 22.5 | 16% | 0.155 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.6 | 170.9 | -174.4 | -24 | 0 | 0 | 0 | 109.7 | S400 Y402 N418 D419 | S400-N416 WeakPolarHBondContact CB-ND2 3.22Å; S400-N416 PolarHBondContact OG-ND2 2.99Å; Y402-N416 HydrophobicContact CD1-CB 4.12Å; Y402-N416 HydrophobicContact CE1-CB 3.96Å; N416-N418 PolarHBondContact O-N 2.99Å; N416-N418 PolarHBondContact OD1-N 3.17Å; N416-D419 HydrophobicContact CB-CB 4.19Å; N416-D419 PolarHBondContact O-N 3.49Å |
| 417 | V | 80.6 | Confident | 79.8 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.2 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | L8 T401 L403 I800 Y832 | L8-V417 HydrophobicContact CD1-CG1 4.2Å; T401-V417 HydrophobicContact CG2-CG2 4.14Å; T401-V417 WeakPolarHBondContact O-CG2 3.24Å; T401-V417 PolarHBondContact O-N 2.96Å; L403-V417 HydrophobicContact CD1-CG2 3.48Å; L403-V417 VanDerWaalsContact CD1-CG2 3.48Å; L403-V417 HydrophobicContact CD2-CG2 4.47Å; L403-V417 HydrophobicContact CG-CG2 3.66Å; V417-I800 HydrophobicContact CB-CD1 4.47Å; V417-I800 HydrophobicContact CG1-CD1 4.03Å; V417-I800 HydrophobicContact CG2-CD1 3.74Å; V417-Y832 HydrophobicContact CG1-CD2 3.99Å; V417-Y832 HydrophobicContact CG1-CE2 3.99Å |
| 418 | N | 77.9 | Confident | 79.6 | Confident | 26 Ų | 26 | 23.9 Ų | 23.9 | 14% | 0.139 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.9 | -174.8 | -64.4 | -36.9 | 0 | 0 | 0 | 113.1 | L398 S399 N416 R420 | L398-N418 HydrophobicContact CD2-CB 3.69Å; S399-N418 PolarHBondContact O-ND2 2.81Å; N416-N418 PolarHBondContact O-N 2.99Å; N416-N418 PolarHBondContact OD1-N 3.17Å; N418-R420 PolarHBondContact O-N 3.44Å |
| 419 | D | 77.7 | Confident | 79.5 | Confident | 26 Ų | 26 | 24 Ų | 24 | 14% | 0.139 | 12% | 0.116 | C | C | . | . | trans | -68.3 | 128 | 176 | -172.9 | 7.1 | 0 | 0 | 0 | 111 | N416 E421 G423 H515 | N416-D419 HydrophobicContact CB-CB 4.19Å; N416-D419 PolarHBondContact O-N 3.49Å; D419-E421 PolarHBondContact OD1-N 3.49Å; D419-G423 VanDerWaalsContact OD2-CA 3.24Å; D419-G423 WeakPolarHBondContact OD2-CA 3.42Å; D419-G423 PolarHBondContact OD2-N 2.92Å; D419-H515 IonicContact OD1-CE1 3.8Å; D419-H515 IonicContact OD2-CE1 2.68Å; D419-H515 PolarHBondContact OD2-CE1 2.82Å; D419-H515 VanDerWaalsContact OD2-CE1 3.24Å; D419-H515 IonicContact OD2-ND1 3.71Å | ||
| 420 | R | 71.9 | Confident | 79.1 | Confident | 106 Ų | 106 | 24.8 Ų | 24.8 | 40% | 0.4 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -76.4 | -31.7 | 178.3 | -66.7 | -172.5 | -174.9 | -154.1 | -7.2 | 112.1 | N418 H422 Q838 A839 | N418-R420 PolarHBondContact O-N 3.44Å; R420-H422 VanDerWaalsContact C-N 3.27Å; R420-Q838 HydrophobicContact CG-CB 4.17Å; R420-Q838 HydrophobicContact CG-CG 4.37Å; R420-Q838 PolarHBondContact NH2-O 2.73Å; R420-A839 PolarHBondContact NE-O 3.19Å; R420-A839 PolarHBondContact NH2-O 3.13Å; R420-A839 VanDerWaalsContact NH2-O 3.14Å |
| 421 | E | 69.9 | Low | 78.8 | Confident | 22 Ų | 22 | 31.3 Ų | 31.3 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -88.4 | 0.5 | -175.2 | -60.4 | -167.1 | -175.9 | 0 | 0 | 112.8 | S44 K361 D419 G423 K841 | S44-E421 WeakPolarHBondContact OG-CG 3.25Å; S44-E421 PolarHBondContact OG-OE1 3.12Å; K361-E421 IonicContact NZ-OE2 2.68Å; D419-E421 PolarHBondContact OD1-N 3.49Å; E421-G423 PolarHBondContact O-N 3.28Å; E421-K841 IonicContact OE1-NZ 3.06Å; E421-K841 PolarHBondContact OE1-NZ 3.18Å |
| 422 | H | 75.7 | Confident | 77.7 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 15% | 0.153 | 17% | 0.165 | C | C | . | . | trans | 52.9 | 42.7 | -176.1 | -55.2 | -51.2 | 0 | 0 | 0 | 111.5 | L8 R420 | L8-H422 WeakPolarHBondContact O-CB 3.47Å; L8-H422 VanDerWaalsContact O-CG 3.24Å; L8-H422 PolarHBondContact O-ND1 3.36Å; L8-H422 VanDerWaalsContact O-ND1 3.1Å; R420-H422 VanDerWaalsContact C-N 3.27Å | ||
| 423 | G | 74.9 | Confident | 76.4 | Confident | 13 Ų | 13 | 39 Ų | 39 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | trans | -61.8 | 133.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M415 D419 E421 | M415-G423 WeakPolarHBondContact CG-O 3.29Å; D419-G423 VanDerWaalsContact OD2-CA 3.24Å; D419-G423 WeakPolarHBondContact OD2-CA 3.42Å; D419-G423 PolarHBondContact OD2-N 2.92Å; E421-G423 PolarHBondContact O-N 3.28Å | ||
| 424 | V | 84 | Confident | 75 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.9 | -178.1 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | Q413 M415 | Q413-V424 HydrophobicContact CB-CG1 3.56Å; Q413-V424 HydrophobicContact CG-CG1 4.47Å; M415-V424 HydrophobicContact CG-CG2 4.29Å |
| 425 | Q | 81 | Confident | 73.5 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.5 | 170.7 | -166.3 | -166.4 | 35.9 | 0 | 0 | 108.7 | Q413 L414 D516 V518 | Q413-Q425 WeakPolarHBondContact CA-O 3.27Å; L414-Q425 HydrophobicContact CB-CB 4.26Å; L414-Q425 PolarHBondContact N-O 2.77Å; L414-Q425 PolarHBondContact O-N 3.09Å; Q425-D516 PolarHBondContact NE2-OD1 3.38Å; Q425-V518 PolarHBondContact NE2-O 3.36Å; Q425-V518 PolarHBondContact OE1-O 2.73Å |
| 426 | K | 82.9 | Confident | 72.2 | Confident | 88 Ų | 88 | 44.6 Ų | 44.6 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.9 | 178 | 175.2 | -164.5 | 148.6 | -169.6 | 0 | 109.4 | M365 K411 D428 | M365-K426 HydrophobicContact CE-CB 4.47Å; M365-K426 HydrophobicContact CE-CG 4.15Å; M365-K426 HydrophobicContact SD-CG 4.33Å; K411-K426 HydrophobicContact CB-CG 4.34Å; K411-K426 HydrophobicContact CD-CD 4.05Å; K411-K426 HydrophobicContact CD-CG 4.32Å; K411-K426 VanDerWaalsContact CE-NZ 3.28Å; K411-K426 HydrophobicContact CG-CD 4.37Å; K411-K426 HydrophobicContact CG-CG 4.2Å; K426-D428 VanDerWaalsContact CE-OD2 3.24Å; K426-D428 WeakPolarHBondContact CE-OD2 3.37Å; K426-D428 IonicContact NZ-OD2 2.82Å; K426-D428 PolarHBondContact NZ-OD2 3.49Å |
| 427 | I | 79.7 | Confident | 70.8 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 109 | 170.9 | -54 | 168.8 | 0 | 0 | 0 | 107.3 | L404 K411 I412 L414 I429 W492 F520 | L404-I427 HydrophobicContact CD2-CD1 4.02Å; K411-I427 WeakPolarHBondContact CA-O 3.24Å; K411-I427 WeakPolarHBondContact CB-O 3.41Å; I412-I427 PolarHBondContact N-O 2.7Å; I412-I427 PolarHBondContact O-N 3.08Å; L414-I427 HydrophobicContact CB-CD1 4.32Å; I427-I429 HydrophobicContact CG2-CG1 4.11Å; I427-W492 HydrophobicContact CG2-CE3 4.46Å; I427-W492 HydrophobicContact CG2-CH2 4.32Å; I427-W492 HydrophobicContact CG2-CZ3 4.06Å; I427-F520 HydrophobicContact CD1-CB 4.29Å; I427-F520 HydrophobicContact CD1-CD2 3.32Å; I427-F520 HydrophobicContact CD1-CE2 3.87Å; I427-F520 HydrophobicContact CD1-CG 3.93Å; I427-F520 HydrophobicContact CG1-CD2 4.31Å |
| 428 | D | 75.8 | Confident | 69.5 | Low | 42 Ų | 42 | 52.5 Ų | 52.5 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.8 | 175.6 | -147.8 | -36.5 | 0 | 0 | 0 | 109.5 | K411 K426 H431 | K411-D428 WeakPolarHBondContact CE-OD2 2.8Å; K411-D428 HydrophobicContact CG-CB 4.39Å; K411-D428 IonicContact NZ-OD2 2.73Å; K426-D428 VanDerWaalsContact CE-OD2 3.24Å; K426-D428 WeakPolarHBondContact CE-OD2 3.37Å; K426-D428 IonicContact NZ-OD2 2.82Å; K426-D428 PolarHBondContact NZ-OD2 3.49Å; D428-H431 PolarHBondContact O-CE1 3.01Å; D428-H431 PolarHBondContact O-NE2 3.19Å; D428-H431 PolarHBondContact OD1-N 3.01Å |
| 429 | I | 71.7 | Confident | 68.4 | Low | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -101.7 | -40.1 | -170.6 | -70.8 | 157.4 | 0 | 0 | 0 | 110.5 | G410 I412 I427 H431 V450 T467 W492 | G410-I429 PolarHBondContact O-N 3.17Å; I412-I429 HydrophobicContact CB-CD1 3.68Å; I412-I429 HydrophobicContact CD1-CD1 3.22Å; I412-I429 HydrophobicContact CG1-CD1 3.25Å; I427-I429 HydrophobicContact CG2-CG1 4.11Å; I429-H431 PolarHBondContact O-CD2 3.37Å; I429-V450 HydrophobicContact CB-CG2 4.37Å; I429-V450 HydrophobicContact CD1-CG2 3.62Å; I429-V450 HydrophobicContact CG2-CG2 4.01Å; I429-T467 HydrophobicContact CD1-CG2 4.19Å; I429-W492 HydrophobicContact CB-CH2 4.45Å; I429-W492 HydrophobicContact CB-CZ2 3.97Å; I429-W492 HydrophobicContact CG1-CH2 3.97Å; I429-W492 HydrophobicContact CG1-CZ2 3.54Å; I429-W492 HydrophobicContact CG2-CZ2 3.9Å |
| 430 | T | 66.8 | Low | 67.6 | Low | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -76.6 | -27.7 | -177.8 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | Q432 A448 | T430-Q432 PolarHBondContact O-N 3.44Å; T430-Q432 PolarHBondContact OG1-N 3.12Å; T430-A448 HydrophobicContact CG2-CB 3.66Å; T430-A448 VanDerWaalsContact CG2-O 3.31Å; T430-A448 WeakPolarHBondContact CG2-O 3.47Å |
| 431 | H | 65.1 | Low | 67.3 | Low | 137 Ų | 137 | 54.8 Ų | 54.8 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | trans | 51.4 | 22.5 | -169.4 | -59.1 | -77.2 | 0 | 0 | 0 | 112.9 | D428 I429 | D428-H431 PolarHBondContact O-CE1 3.01Å; D428-H431 PolarHBondContact O-NE2 3.19Å; D428-H431 PolarHBondContact OD1-N 3.01Å; I429-H431 PolarHBondContact O-CD2 3.37Å | ||
| 432 | Q | 62.3 | Low | 67 | Low | 72 Ų | 72 | 59.2 Ų | 59.2 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | trans | -90.7 | 133.3 | -179.4 | -70.2 | -177.9 | -5 | 0 | 0 | 109.9 | T430 L434 | T430-Q432 PolarHBondContact O-N 3.44Å; T430-Q432 PolarHBondContact OG1-N 3.12Å; Q432-L434 PolarHBondContact O-N 3.26Å | ||
| 433 | N | 58.9 | Low | 66.5 | Low | 102 Ų | 102 | 60 Ų | 60 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | trans | -68.2 | 132.7 | 167.4 | -74.7 | -34 | 0 | 0 | 0 | 109.5 | I435 | N433-I435 HydrophobicContact CB-CG1 4.36Å; N433-I435 PolarHBondContact O-N 2.86Å | ||
| 434 | L | 60.8 | Low | 66 | Low | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | trans | -76 | 94.2 | 177.8 | -154.1 | 133.4 | 0 | 0 | 0 | 108.3 | W371 C409 Q432 V445 | W371-L434 HydrophobicContact CH2-CD2 4.3Å; C409-L434 HydrophobicContact CB-CD1 3.94Å; Q432-L434 PolarHBondContact O-N 3.26Å; L434-V445 HydrophobicContact CD2-CB 4.02Å; L434-V445 HydrophobicContact CD2-CG1 4.31Å; L434-V445 HydrophobicContact CD2-CG2 3.54Å; L434-V445 HydrophobicContact CG-CB 4.13Å; L434-V445 HydrophobicContact CG-CG1 4.03Å; L434-V445 HydrophobicContact CG-CG2 4.17Å | ||
| 435 | I | 56.8 | Low | 65.1 | Low | 63 Ų | 63 | 59.3 Ų | 59.3 | 32% | 0.323 | 29% | 0.29 | S | S | . | . | trans | -98.7 | 113.2 | 179.8 | -59.1 | 171.8 | 0 | 0 | 0 | 108.2 | N433 R437 V445 Y900 | N433-I435 HydrophobicContact CB-CG1 4.36Å; N433-I435 PolarHBondContact O-N 2.86Å; I435-R437 HydrophobicContact CG2-CG 4.17Å; I435-R437 PolarHBondContact O-N 2.85Å; I435-V445 WeakPolarHBondContact O-CG1 3.45Å; I435-Y900 HydrophobicContact CD1-CD2 4.41Å | ||
| 436 | V | 58.9 | Low | 64.2 | Low | 29 Ų | 29 | 59.5 Ų | 59.5 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | trans | -66.8 | 103.5 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | V277 E297 V445 | V277-V436 HydrophobicContact CG1-CG1 4.27Å; V277-V436 HydrophobicContact CG2-CB 4.37Å; V277-V436 HydrophobicContact CG2-CG1 4.11Å; E297-V436 HydrophobicContact CB-CG2 4.5Å; V436-V445 HydrophobicContact CB-CG2 4.2Å; V436-V445 HydrophobicContact CG2-CG2 3.77Å | ||
| 437 | R | 53.1 | Low | 63.6 | Low | 161 Ų | 161 | 55.8 Ų | 55.8 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | trans | -90.5 | -17.2 | -175.6 | -69.3 | -171 | -178.6 | -165.8 | 0.1 | 114.1 | I435 | I435-R437 HydrophobicContact CG2-CG 4.17Å; I435-R437 PolarHBondContact O-N 2.85Å | ||
| 438 | S | 53.5 | Low | 63.4 | Low | 36 Ų | 36 | 55 Ų | 55 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -103.7 | 134.7 | -177.5 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | D440 | S438-D440 PolarHBondContact O-N 3.5Å; S438-D440 WeakPolarHBondContact OG-CB 3.32Å; S438-D440 PolarHBondContact OG-N 3.07Å; S438-D440 PolarHBondContact OG-O 2.98Å | ||
| 439 | M | 54.6 | Low | 63.8 | Low | 124 Ų | 124 | 53.3 Ų | 53.3 | 61% | 0.611 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -65.2 | -17 | 165 | -64.1 | -69.7 | -83.2 | 0 | 0 | 111.4 | Q180 S441 | Q180-M439 PolarHBondContact NE2-O 2.78Å; Q180-M439 VanDerWaalsContact NE2-O 3.15Å; M439-S441 PolarHBondContact O-N 3.36Å |
| 440 | D | 62.2 | Low | 64.4 | Low | 52 Ų | 52 | 53.2 Ų | 53.2 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | trans | -89.3 | 103.1 | 173.7 | -169.9 | -2.2 | 0 | 0 | 0 | 110.9 | S438 K442 H443 | S438-D440 PolarHBondContact O-N 3.5Å; S438-D440 WeakPolarHBondContact OG-CB 3.32Å; S438-D440 PolarHBondContact OG-N 3.07Å; S438-D440 PolarHBondContact OG-O 2.98Å; D440-K442 PolarHBondContact O-N 3.36Å; D440-K442 WeakPolarHBondContact OD1-CB 3.45Å; D440-K442 WeakPolarHBondContact OD1-CG 3.1Å; D440-K442 PolarHBondContact OD1-N 3.32Å; D440-H443 PolarHBondContact O-N 2.86Å; D440-H443 VanDerWaalsContact O-N 3.14Å; D440-H443 IonicContact OD2-CE1 2.82Å; D440-H443 PolarHBondContact OD2-CE1 3.46Å; D440-H443 IonicContact OD2-ND1 3.98Å; D440-H443 PolarHBondContact OD2-ND1 2.93Å; D440-H443 VanDerWaalsContact OD2-ND1 3.09Å | ||
| 441 | S | 63.9 | Low | 65.2 | Low | 31 Ų | 31 | 54 Ų | 54 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -21.8 | 171.8 | 61.1 | 0 | 0 | 0 | 0 | 115 | W371 M439 H443 | W371-S441 PolarHBondContact NE1-O 3.17Å; M439-S441 PolarHBondContact O-N 3.36Å; S441-H443 VanDerWaalsContact C-N 3.34Å |
| 442 | K | 65.3 | Low | 66.3 | Low | 115 Ų | 115 | 49 Ų | 49 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -15.8 | -176.7 | -63.2 | 173.9 | -174.9 | 167.7 | 0 | 113.4 | E179 D440 | E179-K442 IonicContact OE2-NZ 2.82Å; E179-K442 PolarHBondContact OE2-NZ 3.26Å; D440-K442 PolarHBondContact O-N 3.36Å; D440-K442 WeakPolarHBondContact OD1-CB 3.45Å; D440-K442 WeakPolarHBondContact OD1-CG 3.1Å; D440-K442 PolarHBondContact OD1-N 3.32Å |
| 443 | H | 65.1 | Low | 67.5 | Low | 50 Ų | 50 | 46.9 Ų | 46.9 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -97.9 | 129.7 | -177.3 | -65.8 | 92.3 | 0 | 0 | 0 | 111 | W371 D440 S441 L474 | W371-H443 PolarHBondContact NE1-O 2.86Å; D440-H443 PolarHBondContact O-N 2.86Å; D440-H443 VanDerWaalsContact O-N 3.14Å; D440-H443 IonicContact OD2-CE1 2.82Å; D440-H443 PolarHBondContact OD2-CE1 3.46Å; D440-H443 IonicContact OD2-ND1 3.98Å; D440-H443 PolarHBondContact OD2-ND1 2.93Å; D440-H443 VanDerWaalsContact OD2-ND1 3.09Å; S441-H443 VanDerWaalsContact C-N 3.34Å; H443-L474 HydrophobicContact CB-CD2 4.01Å; H443-L474 WeakPolarHBondContact CD2-CD2 3.19Å |
| 444 | P | 63.5 | Low | 68.8 | Low | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 145.1 | 175.9 | 25.5 | -32.4 | 0 | 0 | 0 | 111.4 | F367 W371 F378 I446 L474 | F367-P444 HydrophobicContact CZ-CB 4.3Å; W371-P444 HydrophobicContact CD2-CB 3.86Å; W371-P444 VanDerWaalsContact CE2-CA 3.41Å; W371-P444 HydrophobicContact CE3-CB 4.04Å; W371-P444 HydrophobicContact CG-CB 4.17Å; W371-P444 HydrophobicContact CZ3-CB 4.45Å; F378-P444 HydrophobicContact CD1-CG 4.45Å; F378-P444 HydrophobicContact CE1-CB 4.44Å; F378-P444 HydrophobicContact CE1-CG 4.27Å; F378-P444 HydrophobicContact CZ-CG 4.45Å; P444-I446 PolarHBondContact O-N 3.14Å; P444-L474 HydrophobicContact CG-CD1 3.85Å |
| 445 | V | 65.5 | Low | 70 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 136.1 | 170.2 | 173.1 | 0 | 0 | 0 | 0 | 108.7 | W371 L434 I435 V436 H447 | W371-V445 HydrophobicContact CH2-CB 4.18Å; W371-V445 HydrophobicContact CH2-CG2 3.96Å; W371-V445 HydrophobicContact CZ2-CB 4.23Å; W371-V445 HydrophobicContact CZ2-CG2 3.69Å; L434-V445 HydrophobicContact CD2-CB 4.02Å; L434-V445 HydrophobicContact CD2-CG1 4.31Å; L434-V445 HydrophobicContact CD2-CG2 3.54Å; L434-V445 HydrophobicContact CG-CB 4.13Å; L434-V445 HydrophobicContact CG-CG1 4.03Å; L434-V445 HydrophobicContact CG-CG2 4.17Å; I435-V445 WeakPolarHBondContact O-CG1 3.45Å; V436-V445 HydrophobicContact CB-CG2 4.2Å; V436-V445 HydrophobicContact CG2-CG2 3.77Å; V445-H447 PolarHBondContact O-CE1 2.78Å; V445-H447 PolarHBondContact O-N 3.46Å; V445-H447 PolarHBondContact O-ND1 2.95Å |
| 446 | I | 62.5 | Low | 71 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | trans | -67.5 | 114.7 | 173.1 | -57 | 176.1 | 0 | 0 | 0 | 108 | P444 V471 | P444-I446 PolarHBondContact O-N 3.14Å; I446-V471 HydrophobicContact CG2-CG1 3.27Å | ||
| 447 | H | 70.2 | Confident | 71.4 | Confident | 11 Ų | 11 | 42 Ų | 42 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | trans | -143.4 | 156.8 | 177.1 | 60.1 | -80.4 | 0 | 0 | 0 | 110.2 | F378 C409 V445 E449 | F378-H447 AromaticContact CZ-CE1 3.98Å; C409-H447 WeakPolarHBondContact CA-NE2 3.2Å; C409-H447 WeakPolarHBondContact CB-CD2 3.31Å; C409-H447 WeakPolarHBondContact CB-NE2 3.46Å; C409-H447 PolarHBondContact SG-CE1 2.94Å; C409-H447 PolarHBondContact SG-NE2 2.65Å; C409-H447 VanDerWaalsContact SG-NE2 3.36Å; V445-H447 PolarHBondContact O-CE1 2.78Å; V445-H447 PolarHBondContact O-N 3.46Å; V445-H447 PolarHBondContact O-ND1 2.95Å; H447-E449 VanDerWaalsContact CD2-CD 3.49Å; H447-E449 IonicContact CD2-OE1 3.67Å; H447-E449 IonicContact CE1-OE1 2.71Å; H447-E449 VanDerWaalsContact NE2-CG 3.28Å; H447-E449 WeakPolarHBondContact NE2-CG 3.31Å; H447-E449 IonicContact NE2-OE1 3.67Å; H447-E449 PolarHBondContact NE2-OE1 2.74Å; H447-E449 IonicContact NE2-OE2 3.04Å | ||
| 448 | A | 76 | Confident | 71.7 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | G410 T430 E469 C470 V471 | G410-A448 WeakPolarHBondContact CA-O 3.33Å; T430-A448 HydrophobicContact CG2-CB 3.66Å; T430-A448 VanDerWaalsContact CG2-O 3.31Å; T430-A448 WeakPolarHBondContact CG2-O 3.47Å; A448-E469 HydrophobicContact CB-CB 4.43Å; A448-C470 WeakPolarHBondContact CA-O 2.73Å; A448-V471 HydrophobicContact CB-CG2 3.91Å |
| 449 | E | 82.3 | Confident | 71.7 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.8 | 174.9 | -76.9 | -72.4 | -152.3 | 0 | 0 | 110.5 | P381 G410 H447 L451 E469 C470 | P381-E449 HydrophobicContact CG-CB 4.09Å; G410-E449 PolarHBondContact N-OE2 3.24Å; H447-E449 VanDerWaalsContact CD2-CD 3.49Å; H447-E449 IonicContact CD2-OE1 3.67Å; H447-E449 IonicContact CE1-OE1 2.71Å; H447-E449 VanDerWaalsContact NE2-CG 3.28Å; H447-E449 WeakPolarHBondContact NE2-CG 3.31Å; H447-E449 IonicContact NE2-OE1 3.67Å; H447-E449 PolarHBondContact NE2-OE1 2.74Å; H447-E449 IonicContact NE2-OE2 3.04Å; E449-L451 HydrophobicContact CB-CD2 4.03Å; E449-L451 PolarHBondContact O-N 3.09Å; E449-E469 VanDerWaalsContact O-CA 3.24Å; E449-E469 WeakPolarHBondContact O-CA 3.45Å; E449-C470 PolarHBondContact N-O 3.45Å; E449-C470 PolarHBondContact O-N 2.76Å |
| 450 | V | 85.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 111.1 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 109 | P381 N383 N406 I412 I429 M453 T467 E469 | P381-V450 VanDerWaalsContact CB-O 3.26Å; P381-V450 WeakPolarHBondContact CB-O 3.3Å; P381-V450 WeakPolarHBondContact CG-O 3.32Å; N383-V450 PolarHBondContact ND2-O 2.77Å; N406-V450 PolarHBondContact ND2-O 2.95Å; I412-V450 HydrophobicContact CD1-CG1 4.16Å; I412-V450 HydrophobicContact CD1-CG2 4.32Å; I412-V450 HydrophobicContact CG1-CB 4.49Å; I412-V450 HydrophobicContact CG1-CG2 4.23Å; I429-V450 HydrophobicContact CB-CG2 4.37Å; I429-V450 HydrophobicContact CD1-CG2 3.62Å; I429-V450 HydrophobicContact CG2-CG2 4.01Å; V450-M453 HydrophobicContact CG1-CG 3.81Å; V450-M453 HydrophobicContact CG1-SD 4.26Å; V450-T467 HydrophobicContact CG1-CG2 4.04Å; V450-E469 HydrophobicContact CG2-CB 4.39Å |
| 451 | L | 84.3 | Confident | 70.7 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -40 | -175.9 | -54.1 | -171.9 | 0 | 0 | 0 | 112.2 | P381 N383 E449 Y468 C470 | P381-L451 HydrophobicContact CG-CD2 3.86Å; N383-L451 PolarHBondContact ND2-O 3.21Å; N383-L451 PolarHBondContact OD1-O 2.73Å; E449-L451 HydrophobicContact CB-CD2 4.03Å; E449-L451 PolarHBondContact O-N 3.09Å; L451-Y468 HydrophobicContact CB-CD1 4.11Å; L451-Y468 HydrophobicContact CB-CE1 4.48Å; L451-Y468 HydrophobicContact CD1-CE1 4.14Å; L451-Y468 PolarHBondContact N-O 2.77Å; L451-C470 HydrophobicContact CD1-CB 3.95Å |
| 452 | L | 86.4 | Confident | 70.2 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.2 | -178.4 | -52 | 168.9 | 0 | 0 | 0 | 110.5 | Y468 A535 M538 | L452-Y468 HydrophobicContact CD1-CD1 4.08Å; L452-Y468 HydrophobicContact CG-CD1 4.23Å; L452-Y468 PolarHBondContact N-O 2.97Å; L452-Y468 PolarHBondContact O-N 2.88Å; L452-A535 HydrophobicContact CD1-CB 3.95Å; L452-M538 HydrophobicContact CB-CB 4.33Å; L452-M538 HydrophobicContact CB-CE 3.97Å; L452-M538 HydrophobicContact CD1-CB 4.07Å |
| 453 | M | 87.9 | Confident | 70.2 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 126.9 | -173.8 | -66.5 | -152.8 | -44.2 | 0 | 0 | 107.9 | N383 M385 L404 I412 V450 F465 V466 | N383-M453 HydrophobicContact CB-CE 3.3Å; N383-M453 HydrophobicContact CB-CG 4.04Å; N383-M453 HydrophobicContact CB-SD 3.97Å; M385-M453 HydrophobicContact CG-CE 3.89Å; M385-M453 HydrophobicContact SD-CB 4Å; M385-M453 HydrophobicContact SD-CE 3.64Å; M385-M453 HydrophobicContact SD-SD 4.4Å; L404-M453 HydrophobicContact CB-CE 4.37Å; I412-M453 HydrophobicContact CD1-SD 3.48Å; I412-M453 WeakPolarHBondContact CD1-SD 3.46Å; I412-M453 HydrophobicContact CG1-SD 4.07Å; V450-M453 HydrophobicContact CG1-CG 3.81Å; V450-M453 HydrophobicContact CG1-SD 4.26Å; M453-F465 HydrophobicContact CB-CE2 3.57Å; M453-F465 HydrophobicContact CB-CZ 3.6Å; M453-F465 HydrophobicContact CG-CE2 4.15Å; M453-F465 HydrophobicContact CG-CZ 3.62Å; M453-F465 HydrophobicContact SD-CE1 4.46Å; M453-F465 HydrophobicContact SD-CE2 4.35Å; M453-F465 HydrophobicContact SD-CZ 3.6Å; M453-F465 VanDerWaalsContact SD-CZ 3.6Å; M453-V466 WeakPolarHBondContact CA-O 3.32Å |
| 454 | A | 86.5 | Confident | 70.8 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | F465 V466 M538 F540 L548 | A454-F465 CarbonylContact O-C 3.45Å; A454-F465 WeakPolarHBondContact O-CA 3.37Å; A454-F465 WeakPolarHBondContact O-CD2 3.41Å; A454-V466 PolarHBondContact N-O 3.33Å; A454-V466 PolarHBondContact O-N 2.87Å; A454-M538 HydrophobicContact CB-CE 3.85Å; A454-M538 HydrophobicContact CB-CG 4.08Å; A454-F540 HydrophobicContact CB-CD2 3.94Å; A454-F540 HydrophobicContact CB-CE2 4.03Å; A454-L548 HydrophobicContact CB-CD1 4.31Å |
| 455 | Q | 85.5 | Confident | 71.8 | Confident | 49 Ų | 49 | 36.6 Ų | 36.6 | 23% | 0.229 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.6 | -179 | 175.4 | -176 | -11.8 | 0 | 0 | 110.8 | M385 T386 L387 W464 F465 F540 | M385-Q455 HydrophobicContact CE-CB 3.54Å; T386-Q455 PolarHBondContact O-OE1 2.8Å; L387-Q455 HydrophobicContact CD2-CG 4.5Å; Q455-W464 WeakPolarHBondContact CA-O 3.17Å; Q455-W464 WeakPolarHBondContact CG-O 3.35Å; Q455-F465 HydrophobicContact CB-CD2 4.44Å; Q455-F540 VanDerWaalsContact O-CD2 3.23Å; Q455-F540 WeakPolarHBondContact O-CD2 3.31Å |
| 456 | L | 78.5 | Confident | 73 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.4 | 167.3 | 176.4 | 69.2 | 0 | 0 | 0 | 108.3 | T458 W464 F540 N546 W575 | L456-T458 HydrophobicContact CD2-CG2 4.26Å; L456-T458 HydrophobicContact CG-CG2 4.31Å; L456-W464 HydrophobicContact CB-CB 4.19Å; L456-W464 PolarHBondContact N-O 2.77Å; L456-W464 PolarHBondContact O-N 3.34Å; L456-F540 HydrophobicContact CB-CD1 3.92Å; L456-F540 HydrophobicContact CB-CD2 3.76Å; L456-F540 HydrophobicContact CB-CE1 3.94Å; L456-F540 HydrophobicContact CB-CE2 3.76Å; L456-F540 HydrophobicContact CB-CG 3.8Å; L456-F540 HydrophobicContact CB-CZ 3.84Å; L456-F540 HydrophobicContact CD1-CB 4.4Å; L456-F540 HydrophobicContact CD1-CD1 4.43Å; L456-F540 HydrophobicContact CD1-CG 4.41Å; L456-F540 HydrophobicContact CD2-CD1 4.21Å; L456-F540 HydrophobicContact CD2-CE1 4.15Å; L456-F540 HydrophobicContact CG-CD1 4.42Å; L456-N546 HydrophobicContact CD2-CB 3.83Å; L456-W575 HydrophobicContact CD2-CH2 3.98Å; L456-W575 HydrophobicContact CD2-CZ2 4.35Å |
| 457 | S | 66.3 | Low | 74.3 | Confident | 56 Ų | 56 | 34 Ų | 34 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.3 | 168.9 | -171 | 0 | 0 | 0 | 0 | 108.4 | ||
| 458 | T | 60.7 | Low | 75.3 | Confident | 30 Ų | 30 | 33.5 Ų | 33.5 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | trans | -88.7 | 161.2 | 169.3 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | L456 V460 F462 | L456-T458 HydrophobicContact CD2-CG2 4.26Å; L456-T458 HydrophobicContact CG-CG2 4.31Å; T458-V460 CarbonylContact C-O 3.44Å; T458-V460 PolarHBondContact O-N 2.9Å; T458-V460 PolarHBondContact OG1-O 2.77Å; T458-F462 PolarHBondContact OG1-O 2.79Å | ||
| 459 | E | 53.3 | Low | 75.9 | Confident | 197 Ų | 197 | 33.6 Ų | 33.6 | 92% | 0.921 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -66.3 | -28.3 | 170.8 | -64.1 | -175.5 | 166.1 | 0 | 0 | 111.8 | ||
| 460 | V | 48 | Very low | 76 | Confident | 93 Ų | 93 | 33.7 Ų | 33.7 | 56% | 0.564 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -69.7 | 138.2 | 169 | -166.8 | 0 | 0 | 0 | 0 | 108.3 | T458 F462 | T458-V460 CarbonylContact C-O 3.44Å; T458-V460 PolarHBondContact O-N 2.9Å; T458-V460 PolarHBondContact OG1-O 2.77Å; V460-F462 HydrophobicContact CG1-CD2 3.81Å; V460-F462 HydrophobicContact CG1-CE2 3.98Å; V460-F462 PolarHBondContact O-N 3.28Å |
| 461 | A | 46.7 | Very low | 75.7 | Confident | 48 Ų | 48 | 34.1 Ų | 34.1 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -42.7 | -11.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | L391 | L391-A461 HydrophobicContact CD2-CB 3.9Š|
| 462 | F | 53.4 | Low | 75 | Confident | 77 Ų | 77 | 34.7 Ų | 34.7 | 34% | 0.338 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -91.3 | 137.2 | -179.6 | -49.5 | -67.6 | 0 | 0 | 0 | 111.4 | T458 V460 Q493 C494 R495 | T458-F462 PolarHBondContact OG1-O 2.79Å; V460-F462 HydrophobicContact CG1-CD2 3.81Å; V460-F462 HydrophobicContact CG1-CE2 3.98Å; V460-F462 PolarHBondContact O-N 3.28Å; F462-Q493 HydrophobicContact CB-CG 4.39Å; F462-C494 VanDerWaalsContact CD1-O 3.3Å; F462-C494 WeakPolarHBondContact CD1-O 3.4Å; F462-R495 HydrophobicContact CD1-CG 4.11Å; F462-R495 HydrophobicContact CE1-CG 4.07Å |
| 463 | T | 65.7 | Low | 73.8 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.6 | 165.1 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | Q388 C494 | Q388-T463 WeakPolarHBondContact O-CG2 3.41Å; T463-C494 WeakPolarHBondContact O-CB 3.33Å; T463-C494 PolarHBondContact O-N 2.82Å; T463-C494 WeakPolarHBondContact OG1-CB 3.45Å; T463-C494 PolarHBondContact OG1-SG 2.81Å |
| 464 | W | 77.5 | Confident | 72.4 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 140.8 | 170.8 | -73.3 | 91.4 | 0 | 0 | 0 | 109.3 | Q455 L456 Q493 V523 Y562 Y566 P574 W575 | Q455-W464 WeakPolarHBondContact CA-O 3.17Å; Q455-W464 WeakPolarHBondContact CG-O 3.35Å; L456-W464 HydrophobicContact CB-CB 4.19Å; L456-W464 PolarHBondContact N-O 2.77Å; L456-W464 PolarHBondContact O-N 3.34Å; W464-Q493 HydrophobicContact CE3-CB 4.29Å; W464-Q493 HydrophobicContact CH2-CB 4.22Å; W464-Q493 HydrophobicContact CH2-CG 4.43Å; W464-Q493 HydrophobicContact CZ2-CG 4.36Å; W464-Q493 HydrophobicContact CZ3-CB 4.05Å; W464-V523 HydrophobicContact CH2-CB 4.42Å; W464-V523 HydrophobicContact CH2-CG1 4.25Å; W464-V523 HydrophobicContact CH2-CG2 4.11Å; W464-V523 HydrophobicContact CZ3-CB 4.1Å; W464-V523 HydrophobicContact CZ3-CG1 4.38Å; W464-V523 HydrophobicContact CZ3-CG2 3.86Å; W464-Y562 HydrophobicContact CZ2-CE2 4.07Å; W464-Y566 HydrophobicContact CH2-CE1 4.21Å; W464-Y566 HydrophobicContact CZ2-CE1 4.34Å; W464-P574 HydrophobicContact CH2-CB 4.11Å; W464-P574 HydrophobicContact CH2-CG 4.34Å; W464-W575 AromaticContact CE3-NE1 3.84Å; W464-W575 AromaticContact CZ3-NE1 3.91Å |
| 465 | F | 85.9 | Confident | 70.9 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.8 | 178.8 | 175.4 | -113.4 | 0 | 0 | 0 | 110.1 | M385 L404 I412 M453 A454 Q455 T467 W492 | M385-F465 HydrophobicContact CE-CD2 3.94Å; M385-F465 HydrophobicContact CE-CE2 3.78Å; M385-F465 HydrophobicContact SD-CD2 3.78Å; M385-F465 HydrophobicContact SD-CE2 3.27Å; M385-F465 WeakPolarHBondContact SD-CE2 3.38Å; M385-F465 HydrophobicContact SD-CZ 3.97Å; L404-F465 HydrophobicContact CD1-CD1 4.44Å; L404-F465 HydrophobicContact CD1-CD2 4.37Å; L404-F465 HydrophobicContact CD1-CG 4.37Å; I412-F465 HydrophobicContact CD1-CE1 3.66Å; I412-F465 HydrophobicContact CD1-CZ 3.99Å; M453-F465 HydrophobicContact CB-CE2 3.57Å; M453-F465 HydrophobicContact CB-CZ 3.6Å; M453-F465 HydrophobicContact CG-CE2 4.15Å; M453-F465 HydrophobicContact CG-CZ 3.62Å; M453-F465 HydrophobicContact SD-CE1 4.46Å; M453-F465 HydrophobicContact SD-CE2 4.35Å; M453-F465 HydrophobicContact SD-CZ 3.6Å; M453-F465 VanDerWaalsContact SD-CZ 3.6Å; A454-F465 CarbonylContact O-C 3.45Å; A454-F465 WeakPolarHBondContact O-CA 3.37Å; A454-F465 WeakPolarHBondContact O-CD2 3.41Å; Q455-F465 HydrophobicContact CB-CD2 4.44Å; F465-T467 HydrophobicContact CD1-CG2 4.06Å; F465-T467 HydrophobicContact CE1-CG2 3.15Å; F465-T467 HydrophobicContact CZ-CG2 3.57Å; F465-W492 HydrophobicContact CB-CB 4.3Å; F465-W492 HydrophobicContact CD1-CB 4.27Å; F465-W492 AromaticContact CD1-CD1 3.91Å; F465-W492 HydrophobicContact CD1-CG 4.23Å; F465-W492 PolarHBondContact N-O 2.95Å; F465-W492 WeakPolarHBondContact O-CA 3.33Å; F465-W492 WeakPolarHBondContact O-CB 3.37Å; F465-W492 PolarHBondContact O-N 3.18Å |
| 466 | V | 89.5 | Confident | 69.2 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.4 | -178.4 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | M453 A454 L489 T490 W491 M538 F540 L548 | M453-V466 WeakPolarHBondContact CA-O 3.32Å; A454-V466 PolarHBondContact N-O 3.33Å; A454-V466 PolarHBondContact O-N 2.87Å; V466-L489 HydrophobicContact CG1-CD2 4.35Å; V466-T490 WeakPolarHBondContact CA-O 3.5Å; V466-W491 HydrophobicContact CG1-CG 4.47Å; V466-W491 HydrophobicContact CG2-CG 4.02Å; V466-M538 HydrophobicContact CB-CE 4.27Å; V466-M538 HydrophobicContact CB-SD 4.38Å; V466-M538 HydrophobicContact CG1-CE 4.2Å; V466-M538 HydrophobicContact CG1-SD 3.85Å; V466-M538 VanDerWaalsContact O-CE 3.29Å; V466-M538 WeakPolarHBondContact O-CE 3.08Å; V466-F540 HydrophobicContact CG2-CE2 3.84Å; V466-F540 HydrophobicContact CG2-CZ 3.49Å; V466-F540 VanDerWaalsContact CG2-CZ 3.49Å; V466-L548 HydrophobicContact CG1-CD2 4.06Å; V466-L548 HydrophobicContact CG2-CD2 4.25Å |
| 467 | T | 91.1 | Very high | 67.9 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141.1 | 173.8 | 59 | 0 | 0 | 0 | 0 | 110.1 | I412 I429 V450 F465 E469 L489 T490 W492 | I412-T467 HydrophobicContact CD1-CG2 3.6Å; I429-T467 HydrophobicContact CD1-CG2 4.19Å; V450-T467 HydrophobicContact CG1-CG2 4.04Å; F465-T467 HydrophobicContact CD1-CG2 4.06Å; F465-T467 HydrophobicContact CE1-CG2 3.15Å; F465-T467 HydrophobicContact CZ-CG2 3.57Å; T467-E469 WeakPolarHBondContact CB-OE2 3.36Å; T467-E469 PolarHBondContact OG1-OE2 2.88Å; T467-L489 CarbonylContact O-C 3.57Å; T467-L489 VanDerWaalsContact O-CA 3.3Å; T467-L489 WeakPolarHBondContact O-CA 3.4Å; T467-T490 PolarHBondContact N-O 3.31Å; T467-T490 PolarHBondContact O-N 3.49Å; T467-T490 WeakPolarHBondContact OG1-CB 3.48Å; T467-W492 PolarHBondContact OG1-NE1 2.98Å; T467-W492 VanDerWaalsContact OG1-NE1 3.11Å |
| 468 | Y | 90.8 | Very high | 66.9 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.6 | 162.4 | 173.5 | -105.9 | 0 | 0 | 0 | 108.4 | L451 L452 C470 S487 R488 L489 M528 P534 A535 | L451-Y468 HydrophobicContact CB-CD1 4.11Å; L451-Y468 HydrophobicContact CB-CE1 4.48Å; L451-Y468 HydrophobicContact CD1-CE1 4.14Å; L451-Y468 PolarHBondContact N-O 2.77Å; L452-Y468 HydrophobicContact CD1-CD1 4.08Å; L452-Y468 HydrophobicContact CG-CD1 4.23Å; L452-Y468 PolarHBondContact N-O 2.97Å; L452-Y468 PolarHBondContact O-N 2.88Å; Y468-C470 HydrophobicContact CE1-CB 4.22Å; Y468-S487 VanDerWaalsContact OH-CB 3.31Å; Y468-S487 WeakPolarHBondContact OH-CB 3.3Å; Y468-R488 WeakPolarHBondContact CA-O 3.38Å; Y468-L489 HydrophobicContact CD2-CD2 3.83Å; Y468-L489 HydrophobicContact CD2-CG 4.28Å; Y468-L489 HydrophobicContact CG-CD2 4.28Å; Y468-M528 HydrophobicContact CE2-CB 4.27Å; Y468-M528 HydrophobicContact CE2-CG 4.28Å; Y468-P534 VanDerWaalsContact OH-CA 3.26Å; Y468-P534 WeakPolarHBondContact OH-CA 2.92Å; Y468-A535 HydrophobicContact CD1-CB 3.87Å; Y468-A535 HydrophobicContact CD2-CB 4.06Å; Y468-A535 HydrophobicContact CE1-CB 3.67Å; Y468-A535 HydrophobicContact CE2-CB 3.84Å; Y468-A535 HydrophobicContact CG-CB 4.07Å; Y468-A535 PolarHBondContact OH-N 2.76Å; Y468-A535 VanDerWaalsContact OH-N 3.13Å |
| 469 | E | 88.5 | Confident | 66.3 | Low | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.9 | -180 | 58.8 | -85.6 | 179.1 | 0 | 0 | 111.7 | A448 E449 V450 T467 S487 R488 T490 | A448-E469 HydrophobicContact CB-CB 4.43Å; E449-E469 VanDerWaalsContact O-CA 3.24Å; E449-E469 WeakPolarHBondContact O-CA 3.45Å; V450-E469 HydrophobicContact CG2-CB 4.39Å; T467-E469 WeakPolarHBondContact CB-OE2 3.36Å; T467-E469 PolarHBondContact OG1-OE2 2.88Å; E469-S487 CarbonylContact O-C 3.59Å; E469-S487 WeakPolarHBondContact O-CA 3.35Å; E469-R488 VanDerWaalsContact CD-O 3.31Å; E469-R488 HydrophobicContact CG-CB 4.08Å; E469-R488 PolarHBondContact N-O 2.82Å; E469-R488 PolarHBondContact O-N 2.71Å; E469-R488 WeakPolarHBondContact OE1-CB 3.41Å; E469-R488 WeakPolarHBondContact OE1-CG 3.1Å; E469-T490 PolarHBondContact OE1-OG1 3.32Å |
| 470 | C | 84.1 | Confident | 66.1 | Low | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 140.9 | -179.1 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | A448 E449 L451 Y468 K472 D485 | A448-C470 WeakPolarHBondContact CA-O 2.73Å; E449-C470 PolarHBondContact N-O 3.45Å; E449-C470 PolarHBondContact O-N 2.76Å; L451-C470 HydrophobicContact CD1-CB 3.95Å; Y468-C470 HydrophobicContact CE1-CB 4.22Å; C470-K472 PolarHBondContact O-N 2.92Å; C470-D485 PolarHBondContact SG-O 2.81Å |
| 471 | V | 78.3 | Confident | 66 | Low | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 115.9 | 172.9 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | I446 A448 K473 D485 Q486 | I446-V471 HydrophobicContact CG2-CG1 3.27Å; A448-V471 HydrophobicContact CB-CG2 3.91Å; V471-K473 PolarHBondContact O-N 3.34Å; V471-D485 WeakPolarHBondContact CB-O 3.45Å; V471-D485 PolarHBondContact N-O 2.66Å; V471-Q486 HydrophobicContact CG2-CB 3.83Å; V471-Q486 HydrophobicContact CG2-CG 4.14Å |
| 472 | K | 69.5 | Low | 66.2 | Low | 49 Ų | 49 | 62 Ų | 62 | 21% | 0.213 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 125.6 | 175.5 | -71.1 | -163 | 180 | -165.1 | 0 | 111.1 | F378 M379 C470 L474 | F378-K472 HydrophobicContact CD2-CB 3.87Å; F378-K472 HydrophobicContact CD2-CD 3.86Å; F378-K472 HydrophobicContact CD2-CG 4.47Å; F378-K472 HydrophobicContact CE2-CB 3.74Å; F378-K472 HydrophobicContact CE2-CD 3.9Å; F378-K472 HydrophobicContact CE2-CG 4.28Å; M379-K472 PolarHBondContact O-NZ 2.78Å; C470-K472 PolarHBondContact O-N 2.92Å; K472-L474 PolarHBondContact O-N 3.27Å |
| 473 | K | 63.1 | Low | 66.4 | Low | 114 Ų | 114 | 61.5 Ų | 61.5 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 119.4 | 174.4 | -61.9 | 178.9 | -178.3 | -176 | 0 | 109.5 | V471 I483 | V471-K473 PolarHBondContact O-N 3.34Å; K473-I483 WeakPolarHBondContact CE-O 3.47Å; K473-I483 PolarHBondContact NZ-O 2.82Å |
| 474 | L | 57.6 | Low | 66.5 | Low | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 125.2 | 162.7 | -129.7 | 76.8 | 0 | 0 | 0 | 107.8 | F378 H443 P444 K472 D476 H477 | F378-L474 HydrophobicContact CB-CD1 4.46Å; F378-L474 HydrophobicContact CD2-CD1 4.35Å; H443-L474 HydrophobicContact CB-CD2 4.01Å; H443-L474 WeakPolarHBondContact CD2-CD2 3.19Å; P444-L474 HydrophobicContact CG-CD1 3.85Å; K472-L474 PolarHBondContact O-N 3.27Å; L474-D476 PolarHBondContact O-N 3.5Å; L474-H477 PolarHBondContact O-N 3.04Å; L474-H477 VanDerWaalsContact O-N 3.12Å |
| 475 | A | 54.2 | Low | 66.4 | Low | 83 Ų | 83 | 65.4 Ų | 65.4 | 69% | 0.686 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A377 | A377-A475 HydrophobicContact CB-CB 4.39Š|
| 476 | D | 50.9 | Low | 66.1 | Low | 137 Ų | 137 | 69.5 Ų | 69.5 | 73% | 0.733 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.4 | -175.5 | -65.1 | -28 | 0 | 0 | 0 | 114.2 | L474 E478 | L474-D476 PolarHBondContact O-N 3.5Å; D476-E478 VanDerWaalsContact C-N 3.29Å; D476-E478 PolarHBondContact O-N 2.82Å |
| 477 | H | 50.4 | Low | 66 | Low | 66 Ų | 66 | 69.5 Ų | 69.5 | 31% | 0.306 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.6 | 93.5 | 170.4 | -85 | -62.6 | 0 | 0 | 0 | 110.2 | L474 I483 | L474-H477 PolarHBondContact O-N 3.04Å; L474-H477 VanDerWaalsContact O-N 3.12Å; H477-I483 HydrophobicContact CB-CD1 4.18Å |
| 478 | E | 46.1 | Very low | 65.9 | Low | 153 Ų | 153 | 74.4 Ų | 74.4 | 72% | 0.715 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 44.4 | 100.1 | 145.2 | -59.3 | -170.4 | 165.5 | 0 | 0 | 116 | D476 G480 L481 | D476-E478 VanDerWaalsContact C-N 3.29Å; D476-E478 PolarHBondContact O-N 2.82Å; E478-G480 PolarHBondContact O-N 3.22Å; E478-G480 VanDerWaalsContact O-N 3.07Å; E478-L481 PolarHBondContact O-N 3.18Å |
| 479 | R | 48.5 | Very low | 65.9 | Low | 242 Ų | 242 | 74.4 Ų | 74.4 | 91% | 0.913 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 48.2 | 151.2 | -64.3 | -171.7 | -179 | -165.3 | 1.7 | 115.6 | L481 | R479-L481 PolarHBondContact O-N 2.8Š|
| 480 | G | 47.5 | Very low | 65.9 | Low | 76 Ų | 76 | 74.3 Ų | 74.3 | 78% | 0.784 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 19.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E478 P482 | E478-G480 PolarHBondContact O-N 3.22Å; E478-G480 VanDerWaalsContact O-N 3.07Å; G480-P482 WeakPolarHBondContact O-CD 3.35Å |
| 481 | L | 47.4 | Very low | 66.1 | Low | 132 Ų | 132 | 74 Ų | 74 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | trans | -67.9 | 122.5 | 169.1 | -98.1 | 106.3 | 0 | 0 | 0 | 106.3 | E478 R479 I483 | E478-L481 PolarHBondContact O-N 3.18Å; R479-L481 PolarHBondContact O-N 2.8Å; L481-I483 VanDerWaalsContact C-N 3.29Å; L481-I483 PolarHBondContact O-N 2.79Å | ||
| 482 | P | 50.9 | Low | 66.5 | Low | 114 Ų | 114 | 74.1 Ų | 74.1 | 74% | 0.74 | 39% | 0.386 | S | S | * | . | trans | -67.3 | 95.3 | 173.6 | 26.9 | -30.5 | 0 | 0 | 0 | 107.6 | G480 D484 | G480-P482 WeakPolarHBondContact O-CD 3.35Å; P482-D484 PolarHBondContact O-N 2.98Å | ||
| 483 | I | 57.8 | Low | 67.2 | Low | 67 Ų | 67 | 72.4 Ų | 72.4 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | trans | -62.2 | 126.8 | 162.8 | -59.6 | 174.5 | 0 | 0 | 0 | 105.8 | K473 H477 L481 D485 | K473-I483 WeakPolarHBondContact CE-O 3.47Å; K473-I483 PolarHBondContact NZ-O 2.82Å; H477-I483 HydrophobicContact CB-CD1 4.18Å; L481-I483 VanDerWaalsContact C-N 3.29Å; L481-I483 PolarHBondContact O-N 2.79Å; I483-D485 PolarHBondContact O-N 2.96Å | ||
| 484 | D | 67 | Low | 67.8 | Low | 84 Ų | 84 | 67.5 Ų | 67.5 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | trans | -50.9 | 122.5 | 167.7 | -179.6 | -6.5 | 0 | 0 | 0 | 108 | P482 Q486 S529 | P482-D484 PolarHBondContact O-N 2.98Å; D484-Q486 HydrophobicContact CB-CG 4.46Å; D484-Q486 PolarHBondContact O-N 3.38Å; D484-Q486 WeakPolarHBondContact OD1-CA 3.17Å; D484-Q486 PolarHBondContact OD1-N 2.81Å; D484-S529 WeakPolarHBondContact OD1-CB 3.22Å | ||
| 485 | D | 75.6 | Confident | 68.4 | Low | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.08 | 38% | 0.375 | C | S | . | . | trans | -73.3 | -2.9 | -179 | 74.6 | 0.1 | 0 | 0 | 0 | 112.5 | C470 V471 I483 S487 | C470-D485 PolarHBondContact SG-O 2.81Å; V471-D485 WeakPolarHBondContact CB-O 3.45Å; V471-D485 PolarHBondContact N-O 2.66Å; I483-D485 PolarHBondContact O-N 2.96Å; D485-S487 PolarHBondContact O-N 3.17Å; D485-S487 VanDerWaalsContact OD1-CB 3.26Å; D485-S487 WeakPolarHBondContact OD1-CB 3.48Å; D485-S487 PolarHBondContact OD1-N 3.25Å; D485-S487 PolarHBondContact OD1-OG 3.25Å | ||
| 486 | Q | 79.3 | Confident | 68.9 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | trans | 44.9 | 33.9 | -179.1 | -56.1 | -177.4 | -5.4 | 0 | 0 | 111.9 | V471 D484 | V471-Q486 HydrophobicContact CG2-CB 3.83Å; V471-Q486 HydrophobicContact CG2-CG 4.14Å; D484-Q486 HydrophobicContact CB-CG 4.46Å; D484-Q486 PolarHBondContact O-N 3.38Å; D484-Q486 WeakPolarHBondContact OD1-CA 3.17Å; D484-Q486 PolarHBondContact OD1-N 2.81Å | ||
| 487 | S | 87 | Confident | 69.2 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -65.3 | 139 | -176.3 | 52 | 0 | 0 | 0 | 0 | 110.5 | Y468 E469 D485 M528 S529 | Y468-S487 VanDerWaalsContact OH-CB 3.31Å; Y468-S487 WeakPolarHBondContact OH-CB 3.3Å; E469-S487 CarbonylContact O-C 3.59Å; E469-S487 WeakPolarHBondContact O-CA 3.35Å; D485-S487 PolarHBondContact O-N 3.17Å; D485-S487 VanDerWaalsContact OD1-CB 3.26Å; D485-S487 WeakPolarHBondContact OD1-CB 3.48Å; D485-S487 PolarHBondContact OD1-N 3.25Å; D485-S487 PolarHBondContact OD1-OG 3.25Å; S487-M528 CarbonylContact O-C 3.56Å; S487-M528 WeakPolarHBondContact O-CA 3.38Å; S487-M528 PolarHBondContact O-N 2.95Å; S487-M528 WeakPolarHBondContact OG-CB 3.49Å; S487-M528 PolarHBondContact OG-O 3.5Å; S487-S529 PolarHBondContact O-N 3.45Å; S487-S529 VanDerWaalsContact O-N 3.14Å; S487-S529 VanDerWaalsContact OG-CA 3.28Å; S487-S529 WeakPolarHBondContact OG-CA 3.27Å; S487-S529 PolarHBondContact OG-N 3.48Å; S487-S529 VanDerWaalsContact OG-N 3.15Å | ||
| 488 | R | 88.7 | Confident | 69.2 | Low | 103 Ų | 103 | 74.2 Ų | 74.2 | 39% | 0.389 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.3 | -171.6 | -168.5 | 178.2 | -160.4 | -146.9 | -9.9 | 110.9 | Y468 E469 T525 Y526 | Y468-R488 WeakPolarHBondContact CA-O 3.38Å; E469-R488 VanDerWaalsContact CD-O 3.31Å; E469-R488 HydrophobicContact CG-CB 4.08Å; E469-R488 PolarHBondContact N-O 2.82Å; E469-R488 PolarHBondContact O-N 2.71Å; E469-R488 WeakPolarHBondContact OE1-CB 3.41Å; E469-R488 WeakPolarHBondContact OE1-CG 3.1Å; R488-T525 HydrophobicContact CG-CG2 3.44Å; R488-T525 VanDerWaalsContact CG-CG2 3.44Å; R488-T525 VanDerWaalsContact CZ-CB 3.48Å; R488-T525 VanDerWaalsContact NH2-CG2 3.31Å; R488-T525 PolarHBondContact NH2-OG1 3.45Å; R488-Y526 WeakPolarHBondContact CA-O 3.47Å; R488-Y526 WeakPolarHBondContact CG-O 3.48Å |
| 489 | L | 91 | Very high | 69 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126 | 170.8 | -71.2 | 168.5 | 0 | 0 | 0 | 109.3 | V466 T467 Y468 W491 T525 Y526 M528 M538 V550 W560 | V466-L489 HydrophobicContact CG1-CD2 4.35Å; T467-L489 CarbonylContact O-C 3.57Å; T467-L489 VanDerWaalsContact O-CA 3.3Å; T467-L489 WeakPolarHBondContact O-CA 3.4Å; Y468-L489 HydrophobicContact CD2-CD2 3.83Å; Y468-L489 HydrophobicContact CD2-CG 4.28Å; Y468-L489 HydrophobicContact CG-CD2 4.28Å; L489-W491 HydrophobicContact CB-CH2 3.98Å; L489-W491 HydrophobicContact CB-CZ2 4.44Å; L489-W491 HydrophobicContact CB-CZ3 4.18Å; L489-W491 HydrophobicContact CD1-CH2 4.36Å; L489-T525 CarbonylContact O-C 3.52Å; L489-T525 VanDerWaalsContact O-CA 3.3Å; L489-T525 WeakPolarHBondContact O-CA 3.44Å; L489-T525 WeakPolarHBondContact O-CG2 3.41Å; L489-Y526 PolarHBondContact N-O 2.94Å; L489-Y526 PolarHBondContact O-N 3.02Å; L489-M528 HydrophobicContact CD1-CE 4.4Å; L489-M528 HydrophobicContact CD1-CG 3.99Å; L489-M528 HydrophobicContact CD1-SD 3.67Å; L489-M528 HydrophobicContact CG-CG 3.84Å; L489-M528 HydrophobicContact CG-SD 4.22Å; L489-M538 HydrophobicContact CD2-SD 3.6Å; L489-V550 HydrophobicContact CD1-CG2 3.93Å; L489-V550 HydrophobicContact CD2-CG2 4.21Å; L489-W560 HydrophobicContact CD1-CH2 3.54Å; L489-W560 HydrophobicContact CD1-CZ2 3.68Å; L489-W560 HydrophobicContact CD1-CZ3 4.06Å |
| 490 | T | 89.4 | Confident | 68.4 | Low | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | V466 T467 E469 W492 S522 T525 | V466-T490 WeakPolarHBondContact CA-O 3.5Å; T467-T490 PolarHBondContact N-O 3.31Å; T467-T490 PolarHBondContact O-N 3.49Å; T467-T490 WeakPolarHBondContact OG1-CB 3.48Å; E469-T490 PolarHBondContact OE1-OG1 3.32Å; T490-W492 HydrophobicContact CG2-CD2 4.24Å; T490-W492 VanDerWaalsContact CG2-CE2 3.43Å; T490-W492 HydrophobicContact CG2-CH2 4.4Å; T490-W492 HydrophobicContact CG2-CZ2 3.5Å; T490-W492 VanDerWaalsContact O-CD1 3.23Å; T490-W492 PolarHBondContact O-NE1 2.8Å; T490-S522 VanDerWaalsContact CG2-OG 3.25Å; T490-S522 WeakPolarHBondContact CG2-OG 3.25Å; T490-T525 HydrophobicContact CG2-CG2 4.09Å; T490-T525 WeakPolarHBondContact OG1-CG2 3.49Å |
| 491 | W | 88.8 | Confident | 67.7 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.9 | 175.4 | -67.1 | -95.8 | 0 | 0 | 0 | 110.5 | V466 L489 V523 D524 L548 W560 W575 | V466-W491 HydrophobicContact CG1-CG 4.47Å; V466-W491 HydrophobicContact CG2-CG 4.02Å; L489-W491 HydrophobicContact CB-CH2 3.98Å; L489-W491 HydrophobicContact CB-CZ2 4.44Å; L489-W491 HydrophobicContact CB-CZ3 4.18Å; L489-W491 HydrophobicContact CD1-CH2 4.36Å; W491-V523 PolarHBondContact O-N 2.76Å; W491-D524 HydrophobicContact CE3-CB 4.11Å; W491-D524 PolarHBondContact N-O 2.97Å; W491-L548 HydrophobicContact CZ2-CD2 4.2Å; W491-W560 AromaticContact CH2-CD1 3.89Å; W491-W560 AromaticContact CH2-NE1 3.61Å; W491-W560 AromaticContact CZ2-CD1 3.68Å; W491-W560 HydrophobicContact CZ2-CD2 4.26Å; W491-W560 AromaticContact CZ2-CG 3.99Å; W491-W560 HydrophobicContact CZ2-CG 3.99Å; W491-W560 AromaticContact CZ2-NE1 3.81Å; W491-W575 AromaticContact CD1-CD1 3.08Å; W491-W575 AromaticContact CD1-CD2 3.79Å; W491-W575 AromaticContact CD1-CE2 3.6Å; W491-W575 AromaticContact CD1-CG 3.53Å; W491-W575 AromaticContact CD1-NE1 3.16Å; W491-W575 HydrophobicContact CD2-CB 4.21Å; W491-W575 AromaticContact CD2-CD1 3.78Å; W491-W575 HydrophobicContact CD2-CG 4.06Å; W491-W575 AromaticContact CE2-CD1 3.91Å; W491-W575 AromaticContact CE2-CG 3.75Å; W491-W575 AromaticContact CG-CD1 3.3Å; W491-W575 AromaticContact CG-CG 3.96Å; W491-W575 HydrophobicContact CG-CG 3.96Å; W491-W575 AromaticContact CG-NE1 3.7Å; W491-W575 HydrophobicContact CZ2-CB 4.03Å; W491-W575 HydrophobicContact CZ2-CG 4.42Å; W491-W575 AromaticContact NE1-CD1 3.47Å; W491-W575 AromaticContact NE1-CD2 3.61Å; W491-W575 AromaticContact NE1-CE2 3.89Å; W491-W575 AromaticContact NE1-CG 3.38Å; W491-W575 AromaticContact NE1-NE1 3.8Å |
| 492 | W | 86.7 | Confident | 66.9 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.2 | -177.4 | -56 | 85.8 | 0 | 0 | 0 | 109.6 | I427 I429 F465 T467 T490 F520 T521 | I427-W492 HydrophobicContact CG2-CE3 4.46Å; I427-W492 HydrophobicContact CG2-CH2 4.32Å; I427-W492 HydrophobicContact CG2-CZ3 4.06Å; I429-W492 HydrophobicContact CB-CH2 4.45Å; I429-W492 HydrophobicContact CB-CZ2 3.97Å; I429-W492 HydrophobicContact CG1-CH2 3.97Å; I429-W492 HydrophobicContact CG1-CZ2 3.54Å; I429-W492 HydrophobicContact CG2-CZ2 3.9Å; F465-W492 HydrophobicContact CB-CB 4.3Å; F465-W492 HydrophobicContact CD1-CB 4.27Å; F465-W492 AromaticContact CD1-CD1 3.91Å; F465-W492 HydrophobicContact CD1-CG 4.23Å; F465-W492 PolarHBondContact N-O 2.95Å; F465-W492 WeakPolarHBondContact O-CA 3.33Å; F465-W492 WeakPolarHBondContact O-CB 3.37Å; F465-W492 PolarHBondContact O-N 3.18Å; T467-W492 PolarHBondContact OG1-NE1 2.98Å; T467-W492 VanDerWaalsContact OG1-NE1 3.11Å; T490-W492 HydrophobicContact CG2-CD2 4.24Å; T490-W492 VanDerWaalsContact CG2-CE2 3.43Å; T490-W492 HydrophobicContact CG2-CH2 4.4Å; T490-W492 HydrophobicContact CG2-CZ2 3.5Å; T490-W492 VanDerWaalsContact O-CD1 3.23Å; T490-W492 PolarHBondContact O-NE1 2.8Å; W492-F520 HydrophobicContact CB-CD1 4.34Å; W492-F520 HydrophobicContact CE3-CB 4.13Å; W492-T521 WeakPolarHBondContact CA-O 3.4Å |
| 493 | Q | 82.8 | Confident | 65.9 | Low | 14 Ų | 14 | 77.5 Ų | 77.5 | 7% | 0.065 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.7 | 168.7 | -171.2 | -180 | 26.9 | 0 | 0 | 108.8 | F462 W464 R495 T521 V523 | F462-Q493 HydrophobicContact CB-CG 4.39Å; W464-Q493 HydrophobicContact CE3-CB 4.29Å; W464-Q493 HydrophobicContact CH2-CB 4.22Å; W464-Q493 HydrophobicContact CH2-CG 4.43Å; W464-Q493 HydrophobicContact CZ2-CG 4.36Å; W464-Q493 HydrophobicContact CZ3-CB 4.05Å; Q493-R495 HydrophobicContact CG-CG 4.29Å; Q493-T521 PolarHBondContact N-O 2.79Å; Q493-T521 PolarHBondContact O-N 2.59Å; Q493-T521 PolarHBondContact O-OG1 2.88Å; Q493-V523 HydrophobicContact CB-CG2 3.51Å |
| 494 | C | 76.1 | Confident | 64.5 | Low | 11 Ų | 11 | 84.1 Ų | 84.1 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125.2 | 168.8 | -178 | 0 | 0 | 0 | 0 | 109 | F462 T463 V518 F520 | F462-C494 VanDerWaalsContact CD1-O 3.3Å; F462-C494 WeakPolarHBondContact CD1-O 3.4Å; T463-C494 WeakPolarHBondContact O-CB 3.33Å; T463-C494 PolarHBondContact O-N 2.82Å; T463-C494 WeakPolarHBondContact OG1-CB 3.45Å; T463-C494 PolarHBondContact OG1-SG 2.81Å; C494-V518 WeakPolarHBondContact SG-CG1 3.06Å; C494-F520 HydrophobicContact CB-CD1 4.05Å; C494-F520 HydrophobicContact CB-CE1 3.55Å; C494-F520 HydrophobicContact CB-CZ 4.15Å |
| 495 | R | 71.2 | Confident | 62.6 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 42% | 0.415 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.2 | 171.7 | -63.2 | -173.8 | -175.4 | 165.5 | 2.5 | 109.8 | F462 Q493 K519 | F462-R495 HydrophobicContact CD1-CG 4.11Å; F462-R495 HydrophobicContact CE1-CG 4.07Å; Q493-R495 HydrophobicContact CG-CG 4.29Å; R495-K519 PolarHBondContact N-O 3.04Å; R495-K519 PolarHBondContact O-N 3.39Å |
| 496 | E | 63.8 | Low | 60.3 | Low | 87 Ų | 87 | 92.7 Ų | 92.7 | 41% | 0.407 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 143.8 | 165.7 | -71.3 | -167.6 | 152.1 | 0 | 0 | 109.7 | L391 E498 F517 | L391-E496 WeakPolarHBondContact CB-OE1 3.39Å; L391-E496 HydrophobicContact CD1-CG 3.66Å; L391-E496 WeakPolarHBondContact CD1-OE1 3.29Å; L391-E496 VanDerWaalsContact CD2-CD 3.41Å; L391-E496 HydrophobicContact CD2-CG 3.68Å; L391-E496 VanDerWaalsContact CD2-OE1 3.29Å; L391-E496 WeakPolarHBondContact CD2-OE1 3.26Å; L391-E496 HydrophobicContact CG-CG 4.24Å; L391-E496 VanDerWaalsContact CG-OE1 3.28Å; L391-E496 WeakPolarHBondContact CG-OE1 3.36Å; E496-E498 PolarHBondContact O-N 2.88Å; E496-E498 VanDerWaalsContact O-N 3.13Å; E496-F517 VanDerWaalsContact CA-O 3.27Å; E496-F517 WeakPolarHBondContact CA-O 3.21Å |
| 497 | S | 58.2 | Low | 57.7 | Low | 70 Ų | 70 | 91.4 Ų | 91.4 | 49% | 0.49 | 45% | 0.448 | S | S | . | . | trans | -66.7 | 111.9 | 163.8 | -172.8 | 0 | 0 | 0 | 0 | 107.5 | K499 D516 F517 | S497-K499 PolarHBondContact O-N 3.34Å; S497-K499 VanDerWaalsContact O-N 3.11Å; S497-D516 WeakPolarHBondContact CB-O 3.42Å; S497-F517 PolarHBondContact N-O 3.49Å | ||
| 498 | E | 49.7 | Very low | 54.7 | Low | 176 Ų | 176 | 95 Ų | 95 | 82% | 0.822 | 47% | 0.473 | S | S | * | . | trans | -52.2 | 122.2 | 167.9 | -69.6 | -179.8 | 177.4 | 0 | 0 | 107.5 | E496 E500 | E496-E498 PolarHBondContact O-N 2.88Å; E496-E498 VanDerWaalsContact O-N 3.13Å; E498-E500 PolarHBondContact O-N 2.82Å; E498-E500 VanDerWaalsContact O-N 3.15Å | ||
| 499 | K | 41.3 | Very low | 51.8 | Low | 163 Ų | 163 | 95.1 Ų | 95.1 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | trans | -61 | 117.2 | 157.4 | -70.8 | -178.6 | -180 | 174.9 | 0 | 103.8 | S497 N501 | S497-K499 PolarHBondContact O-N 3.34Å; S497-K499 VanDerWaalsContact O-N 3.11Å; K499-N501 PolarHBondContact O-N 3.36Å | ||
| 500 | E | 37.5 | Very low | 48.9 | Very low | 177 Ų | 177 | 99.2 Ų | 99.2 | 83% | 0.827 | 52% | 0.519 | S | S | * | . | trans | -56 | 88.3 | 168.4 | -73.1 | 177.5 | 164.8 | 0 | 0 | 107.3 | E498 E502 | E498-E500 PolarHBondContact O-N 2.82Å; E498-E500 VanDerWaalsContact O-N 3.15Å; E500-E502 PolarHBondContact O-N 2.84Å; E500-E502 VanDerWaalsContact O-N 3.16Å | ||
| 501 | N | 32.3 | Very low | 46.4 | Very low | 141 Ų | 141 | 104.2 Ų | 104.2 | 75% | 0.754 | 55% | 0.549 | S | S | * | . | trans | -83.5 | 72 | 171 | -86.3 | -14.4 | 0 | 0 | 0 | 105.6 | K499 | K499-N501 PolarHBondContact O-N 3.36Š| ||
| 502 | E | 30.9 | Very low | 43.8 | Very low | 168 Ų | 168 | 110.2 Ų | 110.2 | 79% | 0.785 | 58% | 0.581 | S | S | * | * | trans | -166 | 130.3 | 162 | -110.1 | 162 | -145.8 | 0 | 0 | 111.7 | E500 | E500-E502 PolarHBondContact O-N 2.84Å; E500-E502 VanDerWaalsContact O-N 3.16Å | ||
| 503 | N | 28.6 | Very low | 41.3 | Very low | 136 Ų | 136 | 111.5 Ų | 111.5 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | trans | 86 | 113.2 | 169 | -53.1 | -31.6 | 0 | 0 | 0 | 117 | D505 | N503-D505 PolarHBondContact O-N 3.17Š| ||
| 504 | E | 29.2 | Very low | 39.2 | Very low | 206 Ų | 206 | 116.7 Ų | 116.7 | 96% | 0.963 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -60.6 | 18 | 172.3 | -67.4 | -175.8 | 130.7 | 0 | 0 | 114.7 | ||
| 505 | D | 26.3 | Very low | 37.6 | Very low | 132 Ų | 132 | 120 Ų | 120 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | trans | -103.4 | 102.9 | -177.8 | -72.4 | -31.3 | 0 | 0 | 0 | 110.8 | N503 | N503-D505 PolarHBondContact O-N 3.17Š| ||
| 506 | L | 27.5 | Very low | 36.6 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 64.6 | 86.3 | 153 | -67.1 | 145.4 | 0 | 0 | 0 | 116.9 | S508 | L506-S508 PolarHBondContact O-N 3.42Š|
| 507 | S | 25 | Very low | 36.2 | Very low | 63 Ų | 63 | 118.3 Ų | 118.3 | 44% | 0.441 | 64% | 0.637 | S | S | . | * | trans | 37.9 | 64.3 | 132.5 | 62.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 508 | S | 24.7 | Very low | 36.7 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | trans | -116.4 | 46.3 | 168 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | L506 S510 | L506-S508 PolarHBondContact O-N 3.42Å; S508-S510 VanDerWaalsContact C-N 3.33Å; S508-S510 PolarHBondContact O-N 3.04Å | ||
| 509 | S | 26.8 | Very low | 37.8 | Very low | 105 Ų | 105 | 113 Ų | 113 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | trans | -70.4 | 96.9 | 162 | 59.2 | 0 | 0 | 0 | 0 | 107.5 | V511 | S509-V511 PolarHBondContact O-N 2.81Š| ||
| 510 | S | 29.5 | Very low | 39.5 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 60% | 0.601 | 57% | 0.574 | S | S | * | * | trans | -50.3 | 124.5 | 164.8 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | S508 D512 G513 | S508-S510 VanDerWaalsContact C-N 3.33Å; S508-S510 PolarHBondContact O-N 3.04Å; S510-D512 PolarHBondContact O-N 3.16Å; S510-G513 WeakPolarHBondContact O-CA 3.47Å; S510-G513 PolarHBondContact O-N 3.48Å | ||
| 511 | V | 37.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 99.8 Ų | 99.8 | 65% | 0.648 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.9 | -175.7 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | S509 G513 | S509-V511 PolarHBondContact O-N 2.81Å; V511-G513 VanDerWaalsContact C-N 3.29Å |
| 512 | D | 34.9 | Very low | 44 | Very low | 127 Ų | 127 | 95.6 Ų | 95.6 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.7 | 167 | -70.8 | -30.4 | 0 | 0 | 0 | 113.8 | S510 I514 H515 | S510-D512 PolarHBondContact O-N 3.16Å; D512-I514 PolarHBondContact O-N 2.71Å; D512-H515 PolarHBondContact O-N 3.42Å |
| 513 | G | 32.9 | Very low | 46.5 | Very low | 38 Ų | 38 | 89.6 Ų | 89.6 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -0.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S510 V511 | S510-G513 WeakPolarHBondContact O-CA 3.47Å; S510-G513 PolarHBondContact O-N 3.48Å; V511-G513 VanDerWaalsContact C-N 3.29Å |
| 514 | I | 38.3 | Very low | 49.1 | Very low | 124 Ų | 124 | 85.1 Ų | 85.1 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -15.6 | 174.5 | -54.4 | 177.2 | 0 | 0 | 0 | 111.5 | D512 F517 | D512-I514 PolarHBondContact O-N 2.71Å; I514-F517 HydrophobicContact CG2-CE2 4.1Å; I514-F517 VanDerWaalsContact O-CD2 3.22Å; I514-F517 WeakPolarHBondContact O-CD2 3.24Å; I514-F517 WeakPolarHBondContact O-CE2 3.29Å |
| 515 | H | 44.2 | Very low | 51.9 | Low | 79 Ų | 79 | 77.1 Ų | 77.1 | 37% | 0.366 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -23.2 | -178.7 | -71.5 | -69.5 | 0 | 0 | 0 | 114 | D419 D512 F517 | D419-H515 IonicContact OD1-CE1 3.8Å; D419-H515 IonicContact OD2-CE1 2.68Å; D419-H515 PolarHBondContact OD2-CE1 2.82Å; D419-H515 VanDerWaalsContact OD2-CE1 3.24Å; D419-H515 IonicContact OD2-ND1 3.71Å; D512-H515 PolarHBondContact O-N 3.42Å; H515-F517 PolarHBondContact O-N 3.37Å |
| 516 | D | 48.5 | Very low | 55 | Low | 86 Ų | 86 | 74 Ų | 74 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | trans | -98.1 | 42.3 | -171 | -96.4 | -1.1 | 0 | 0 | 0 | 113.8 | Q425 S497 V518 | Q425-D516 PolarHBondContact NE2-OD1 3.38Å; S497-D516 WeakPolarHBondContact CB-O 3.42Å; D516-V518 PolarHBondContact O-N 3.37Å | ||
| 517 | F | 56.9 | Low | 57.9 | Low | 76 Ų | 76 | 69.6 Ų | 69.6 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -65 | -29.7 | 175.4 | -73.4 | -73 | 0 | 0 | 0 | 112.8 | Y402 E496 S497 I514 H515 | Y402-F517 WeakPolarHBondContact OH-CB 3.23Å; E496-F517 VanDerWaalsContact CA-O 3.27Å; E496-F517 WeakPolarHBondContact CA-O 3.21Å; S497-F517 PolarHBondContact N-O 3.49Å; I514-F517 HydrophobicContact CG2-CE2 4.1Å; I514-F517 VanDerWaalsContact O-CD2 3.22Å; I514-F517 WeakPolarHBondContact O-CD2 3.24Å; I514-F517 WeakPolarHBondContact O-CE2 3.29Å; H515-F517 PolarHBondContact O-N 3.37Å |
| 518 | V | 67.9 | Low | 60.9 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.8 | -175.8 | 175 | 0 | 0 | 0 | 0 | 109.8 | Y402 L414 Q425 C494 D516 F520 | Y402-V518 HydrophobicContact CD2-CG2 4.05Å; Y402-V518 HydrophobicContact CE1-CG2 4.22Å; Y402-V518 HydrophobicContact CE2-CG2 3.51Å; L414-V518 HydrophobicContact CD2-CB 4.27Å; L414-V518 HydrophobicContact CD2-CG1 4.3Å; Q425-V518 PolarHBondContact NE2-O 3.36Å; Q425-V518 PolarHBondContact OE1-O 2.73Å; C494-V518 WeakPolarHBondContact SG-CG1 3.06Å; D516-V518 PolarHBondContact O-N 3.37Å; V518-F520 HydrophobicContact CG1-CD2 4.17Å; V518-F520 HydrophobicContact CG1-CE2 3.5Å; V518-F520 VanDerWaalsContact CG1-CE2 3.5Å; V518-F520 HydrophobicContact CG1-CZ 3.75Å |
| 519 | K | 72.8 | Confident | 63.7 | Low | 128 Ų | 128 | 64.3 Ų | 64.3 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.6 | 174.8 | -170.9 | 176.5 | 180 | -177.6 | 0 | 109.7 | R495 | R495-K519 PolarHBondContact N-O 3.04Å; R495-K519 PolarHBondContact O-N 3.39Å |
| 520 | F | 77.9 | Confident | 66.4 | Low | 23 Ų | 23 | 64.9 Ų | 64.9 | 10% | 0.101 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.3 | 172.1 | -67.4 | -85.1 | 0 | 0 | 0 | 109.8 | L387 L414 I427 W492 C494 V518 | L387-F520 HydrophobicContact CD1-CE1 4.44Å; L387-F520 HydrophobicContact CD1-CE2 4.35Å; L387-F520 HydrophobicContact CD1-CZ 3.56Å; L414-F520 HydrophobicContact CD1-CE2 3.97Å; L414-F520 HydrophobicContact CD1-CZ 4.41Å; L414-F520 HydrophobicContact CD2-CE2 3.9Å; L414-F520 HydrophobicContact CG-CE2 4.46Å; I427-F520 HydrophobicContact CD1-CB 4.29Å; I427-F520 HydrophobicContact CD1-CD2 3.32Å; I427-F520 HydrophobicContact CD1-CE2 3.87Å; I427-F520 HydrophobicContact CD1-CG 3.93Å; I427-F520 HydrophobicContact CG1-CD2 4.31Å; W492-F520 HydrophobicContact CB-CD1 4.34Å; W492-F520 HydrophobicContact CE3-CB 4.13Å; C494-F520 HydrophobicContact CB-CD1 4.05Å; C494-F520 HydrophobicContact CB-CE1 3.55Å; C494-F520 HydrophobicContact CB-CZ 4.15Å; V518-F520 HydrophobicContact CG1-CD2 4.17Å; V518-F520 HydrophobicContact CG1-CE2 3.5Å; V518-F520 VanDerWaalsContact CG1-CE2 3.5Å; V518-F520 HydrophobicContact CG1-CZ 3.75Å |
| 521 | T | 80.3 | Confident | 69 | Low | 40 Ų | 40 | 62.6 Ų | 62.6 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.5 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 109 | W492 Q493 V523 | W492-T521 WeakPolarHBondContact CA-O 3.4Å; Q493-T521 PolarHBondContact N-O 2.79Å; Q493-T521 PolarHBondContact O-N 2.59Å; Q493-T521 PolarHBondContact O-OG1 2.88Å; T521-V523 PolarHBondContact O-N 2.83Å |
| 522 | S | 82.8 | Confident | 70.9 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 121.8 | 168.2 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | T490 | T490-S522 VanDerWaalsContact CG2-OG 3.25Å; T490-S522 WeakPolarHBondContact CG2-OG 3.25Å |
| 523 | V | 83.7 | Confident | 73.2 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 26% | 0.255 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -43.4 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | W464 W491 Q493 T521 Y566 P574 | W464-V523 HydrophobicContact CH2-CB 4.42Å; W464-V523 HydrophobicContact CH2-CG1 4.25Å; W464-V523 HydrophobicContact CH2-CG2 4.11Å; W464-V523 HydrophobicContact CZ3-CB 4.1Å; W464-V523 HydrophobicContact CZ3-CG1 4.38Å; W464-V523 HydrophobicContact CZ3-CG2 3.86Å; W491-V523 PolarHBondContact O-N 2.76Å; Q493-V523 HydrophobicContact CB-CG2 3.51Å; T521-V523 PolarHBondContact O-N 2.83Å; V523-Y566 HydrophobicContact CG1-CE2 4.39Å; V523-Y566 WeakPolarHBondContact CG1-OH 3.28Å; V523-P574 HydrophobicContact CG1-CG 3.77Å |
| 524 | D | 84.3 | Confident | 75.5 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 160.1 | -176.5 | -162.9 | 7 | 0 | 0 | 0 | 110.5 | W491 S573 P574 | W491-D524 HydrophobicContact CE3-CB 4.11Å; W491-D524 PolarHBondContact N-O 2.97Å; D524-S573 VanDerWaalsContact OD2-CB 3.24Å; D524-S573 WeakPolarHBondContact OD2-CB 3.39Å; D524-P574 HydrophobicContact CB-CG 4.09Å |
| 525 | T | 87.9 | Confident | 77.7 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 136.5 | 180 | -33.8 | 0 | 0 | 0 | 0 | 113.7 | R488 L489 T490 | R488-T525 HydrophobicContact CG-CG2 3.44Å; R488-T525 VanDerWaalsContact CG-CG2 3.44Å; R488-T525 VanDerWaalsContact CZ-CB 3.48Å; R488-T525 VanDerWaalsContact NH2-CG2 3.31Å; R488-T525 PolarHBondContact NH2-OG1 3.45Å; L489-T525 CarbonylContact O-C 3.52Å; L489-T525 VanDerWaalsContact O-CA 3.3Å; L489-T525 WeakPolarHBondContact O-CA 3.44Å; L489-T525 WeakPolarHBondContact O-CG2 3.41Å; T490-T525 HydrophobicContact CG2-CG2 4.09Å; T490-T525 WeakPolarHBondContact OG1-CG2 3.49Å |
| 526 | Y | 89.7 | Confident | 79.4 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.3 | -176.7 | -173.6 | -86 | 0 | 0 | 0 | 111.4 | R488 L489 M528 H530 F531 W560 P577 | R488-Y526 WeakPolarHBondContact CA-O 3.47Å; R488-Y526 WeakPolarHBondContact CG-O 3.48Å; L489-Y526 PolarHBondContact N-O 2.94Å; L489-Y526 PolarHBondContact O-N 3.02Å; Y526-M528 HydrophobicContact CD1-CG 4.32Å; Y526-M528 HydrophobicContact CD1-SD 3.56Å; Y526-M528 VanDerWaalsContact CD1-SD 3.56Å; Y526-M528 HydrophobicContact CE1-SD 3.67Å; Y526-H530 AromaticContact CE1-CE1 3.88Å; Y526-F531 HydrophobicContact CE1-CE2 4.01Å; Y526-F531 HydrophobicContact CE1-CZ 4.45Å; Y526-W560 HydrophobicContact CD1-CZ2 4.05Å; Y526-W560 HydrophobicContact CE1-CZ2 4.21Å; Y526-W560 HydrophobicContact CG-CZ2 4.46Å; Y526-P577 HydrophobicContact CE2-CG 4.21Å |
| 527 | S | 88.6 | Confident | 81 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.3 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 111 | S529 H530 | S527-S529 PolarHBondContact OG-OG 3.24Å; S527-H530 PolarHBondContact O-CE1 3.31Å; S527-H530 PolarHBondContact O-ND1 3.01Å; S527-H530 VanDerWaalsContact O-ND1 3.1Å |
| 528 | M | 88.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -101.1 | -7.9 | 176.3 | -63.5 | -64.3 | -70.3 | 0 | 0 | 112.8 | Y468 S487 L489 Y526 H530 F531 V550 L552 W560 | Y468-M528 HydrophobicContact CE2-CB 4.27Å; Y468-M528 HydrophobicContact CE2-CG 4.28Å; S487-M528 CarbonylContact O-C 3.56Å; S487-M528 WeakPolarHBondContact O-CA 3.38Å; S487-M528 PolarHBondContact O-N 2.95Å; S487-M528 WeakPolarHBondContact OG-CB 3.49Å; S487-M528 PolarHBondContact OG-O 3.5Å; L489-M528 HydrophobicContact CD1-CE 4.4Å; L489-M528 HydrophobicContact CD1-CG 3.99Å; L489-M528 HydrophobicContact CD1-SD 3.67Å; L489-M528 HydrophobicContact CG-CG 3.84Å; L489-M528 HydrophobicContact CG-SD 4.22Å; Y526-M528 HydrophobicContact CD1-CG 4.32Å; Y526-M528 HydrophobicContact CD1-SD 3.56Å; Y526-M528 VanDerWaalsContact CD1-SD 3.56Å; Y526-M528 HydrophobicContact CE1-SD 3.67Å; M528-H530 VanDerWaalsContact C-N 3.28Å; M528-H530 PolarHBondContact O-N 3.23Å; M528-F531 HydrophobicContact CB-CD2 4.27Å; M528-F531 HydrophobicContact CE-CD2 3.59Å; M528-F531 HydrophobicContact CE-CE2 3.62Å; M528-F531 WeakPolarHBondContact O-CB 3.22Å; M528-F531 VanDerWaalsContact O-CD2 3.3Å; M528-F531 WeakPolarHBondContact O-CD2 3.42Å; M528-F531 PolarHBondContact O-N 3.29Å; M528-F531 HydrophobicContact SD-CD2 3.93Å; M528-F531 HydrophobicContact SD-CE2 3.61Å; M528-V550 HydrophobicContact CE-CG1 4.46Å; M528-L552 HydrophobicContact CE-CD2 3.93Å; M528-W560 HydrophobicContact CE-CH2 4.18Å; M528-W560 HydrophobicContact SD-CH2 4.01Å; M528-W560 HydrophobicContact SD-CZ2 4.19Å | ||
| 529 | S | 84 | Confident | 83.2 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -61.6 | -32.9 | -171.9 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | D484 S487 S527 F531 G532 | D484-S529 WeakPolarHBondContact OD1-CB 3.22Å; S487-S529 PolarHBondContact O-N 3.45Å; S487-S529 VanDerWaalsContact O-N 3.14Å; S487-S529 VanDerWaalsContact OG-CA 3.28Å; S487-S529 WeakPolarHBondContact OG-CA 3.27Å; S487-S529 PolarHBondContact OG-N 3.48Å; S487-S529 VanDerWaalsContact OG-N 3.15Å; S527-S529 PolarHBondContact OG-OG 3.24Å; S529-F531 PolarHBondContact O-N 3.28Å; S529-F531 VanDerWaalsContact O-N 3.1Å; S529-G532 PolarHBondContact O-N 2.82Å |
| 530 | H | 83.4 | Confident | 83.8 | Confident | 116 Ų | 116 | 39.9 Ų | 39.9 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -63 | -16.1 | 178.5 | 67.4 | -84.6 | 0 | 0 | 0 | 113.5 | Y526 S527 M528 G532 | Y526-H530 AromaticContact CE1-CE1 3.88Å; S527-H530 PolarHBondContact O-CE1 3.31Å; S527-H530 PolarHBondContact O-ND1 3.01Å; S527-H530 VanDerWaalsContact O-ND1 3.1Å; M528-H530 VanDerWaalsContact C-N 3.28Å; M528-H530 PolarHBondContact O-N 3.23Å; H530-G532 VanDerWaalsContact C-N 3.34Å |
| 531 | F | 83.4 | Confident | 83.8 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -78 | -19.2 | 174 | -63.8 | -57 | 0 | 0 | 0 | 113.5 | Y526 M528 S529 C533 L552 R556 M558 | Y526-F531 HydrophobicContact CE1-CE2 4.01Å; Y526-F531 HydrophobicContact CE1-CZ 4.45Å; M528-F531 HydrophobicContact CB-CD2 4.27Å; M528-F531 HydrophobicContact CE-CD2 3.59Å; M528-F531 HydrophobicContact CE-CE2 3.62Å; M528-F531 WeakPolarHBondContact O-CB 3.22Å; M528-F531 VanDerWaalsContact O-CD2 3.3Å; M528-F531 WeakPolarHBondContact O-CD2 3.42Å; M528-F531 PolarHBondContact O-N 3.29Å; M528-F531 HydrophobicContact SD-CD2 3.93Å; M528-F531 HydrophobicContact SD-CE2 3.61Å; S529-F531 PolarHBondContact O-N 3.28Å; S529-F531 VanDerWaalsContact O-N 3.1Å; F531-C533 PolarHBondContact O-N 2.98Å; F531-L552 HydrophobicContact CB-CD1 4.05Å; F531-L552 HydrophobicContact CD2-CD1 4.45Å; F531-L552 HydrophobicContact CG-CD1 4.2Å; F531-R556 PolarHBondContact O-NH2 3.09Å; F531-M558 HydrophobicContact CD1-CE 3.74Å; F531-M558 HydrophobicContact CD2-CE 4.15Å; F531-M558 HydrophobicContact CE1-CE 3.17Å; F531-M558 HydrophobicContact CE2-CE 3.62Å; F531-M558 HydrophobicContact CG-CE 4.2Å; F531-M558 HydrophobicContact CZ-CE 3.09Å; F531-M558 HydrophobicContact CZ-SD 4.11Å |
| 532 | G | 78.9 | Confident | 83.2 | Confident | 68 Ų | 68 | 39.8 Ų | 39.8 | 70% | 0.701 | 24% | 0.238 | S | C | * | . | trans | 60.5 | 22.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S529 H530 | S529-G532 PolarHBondContact O-N 2.82Å; H530-G532 VanDerWaalsContact C-N 3.34Å | ||
| 533 | C | 82.2 | Confident | 82.4 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -148.8 | 123.9 | -172.3 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | F531 L552 D554 R556 | F531-C533 PolarHBondContact O-N 2.98Å; C533-L552 HydrophobicContact CB-CD1 4.49Å; C533-D554 PolarHBondContact SG-N 2.82Å; C533-D554 VanDerWaalsContact SG-N 3.44Å; C533-R556 VanDerWaalsContact CB-NH2 3.3Å |
| 534 | P | 82.2 | Confident | 81.7 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | trans | -78.4 | 150.2 | -174.3 | 30.3 | -33.2 | 0 | 0 | 0 | 112.4 | Y468 M553 | Y468-P534 VanDerWaalsContact OH-CA 3.26Å; Y468-P534 WeakPolarHBondContact OH-CA 2.92Å; P534-M553 HydrophobicContact CG-CG 3.85Å; P534-M553 WeakPolarHBondContact O-CG 3.49Å; P534-M553 PolarHBondContact O-N 3.31Å | ||
| 535 | A | 84.6 | Confident | 81.1 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L452 Y468 V550 L551 L552 | L452-A535 HydrophobicContact CD1-CB 3.95Å; Y468-A535 HydrophobicContact CD1-CB 3.87Å; Y468-A535 HydrophobicContact CD2-CB 4.06Å; Y468-A535 HydrophobicContact CE1-CB 3.67Å; Y468-A535 HydrophobicContact CE2-CB 3.84Å; Y468-A535 HydrophobicContact CG-CB 4.07Å; Y468-A535 PolarHBondContact OH-N 2.76Å; Y468-A535 VanDerWaalsContact OH-N 3.13Å; A535-V550 HydrophobicContact CB-CG1 3.52Å; A535-L551 CarbonylContact C-O 3.55Å; A535-L551 WeakPolarHBondContact CA-O 3.34Å; A535-L552 HydrophobicContact CB-CD2 3.98Å |
| 536 | V | 80 | Confident | 80.7 | Confident | 36 Ų | 36 | 50 Ų | 50 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -24.7 | 178.2 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | L551 M553 | V536-L551 HydrophobicContact CG2-CB 4.13Å; V536-L551 HydrophobicContact CG2-CD2 3.69Å; V536-L551 HydrophobicContact CG2-CG 3.77Å; V536-L551 WeakPolarHBondContact CG2-O 3.3Å; V536-L551 PolarHBondContact N-O 2.89Å; V536-M553 HydrophobicContact CG1-CB 4.11Å; V536-M553 HydrophobicContact CG1-CG 3.36Å; V536-M553 HydrophobicContact CG1-SD 3.59Å; V536-M553 VanDerWaalsContact CG1-SD 3.59Å |
| 537 | S | 82.3 | Confident | 80.4 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 141.7 | -178.1 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | Y549 L551 | S537-Y549 PolarHBondContact OG-OH 2.84Å; S537-L551 PolarHBondContact O-N 3.2Å |
| 538 | M | 86.7 | Confident | 80.4 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 124.8 | 179.3 | 173.2 | -179.7 | 75.7 | 0 | 0 | 108 | L452 A454 V466 L489 L548 Y549 V550 | L452-M538 HydrophobicContact CB-CB 4.33Å; L452-M538 HydrophobicContact CB-CE 3.97Å; L452-M538 HydrophobicContact CD1-CB 4.07Å; A454-M538 HydrophobicContact CB-CE 3.85Å; A454-M538 HydrophobicContact CB-CG 4.08Å; V466-M538 HydrophobicContact CB-CE 4.27Å; V466-M538 HydrophobicContact CB-SD 4.38Å; V466-M538 HydrophobicContact CG1-CE 4.2Å; V466-M538 HydrophobicContact CG1-SD 3.85Å; V466-M538 VanDerWaalsContact O-CE 3.29Å; V466-M538 WeakPolarHBondContact O-CE 3.08Å; L489-M538 HydrophobicContact CD2-SD 3.6Å; M538-L548 HydrophobicContact CG-CD1 3.81Å; M538-Y549 WeakPolarHBondContact CA-O 3.31Å; M538-V550 HydrophobicContact CB-CG2 4.35Å; M538-V550 HydrophobicContact CG-CG2 3.95Å; M538-V550 HydrophobicContact SD-CG2 4.2Å |
| 539 | E | 84 | Confident | 80.4 | Confident | 86 Ų | 86 | 44.4 Ų | 44.4 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 156.1 | 177.4 | -174.6 | 172.9 | -160.5 | 0 | 0 | 110.1 | Y549 | E539-Y549 HydrophobicContact CB-CE1 3.63Å; E539-Y549 PolarHBondContact N-O 3.47Å; E539-Y549 WeakPolarHBondContact O-CD1 3.44Å; E539-Y549 VanDerWaalsContact O-CE1 3.31Å; E539-Y549 WeakPolarHBondContact O-CE1 3.49Å; E539-Y549 PolarHBondContact O-N 3.07Å; E539-Y549 VanDerWaalsContact O-N 3.16Å |
| 540 | F | 84.2 | Confident | 80.6 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.1 | 174.3 | -75 | -81.5 | 0 | 0 | 0 | 110.5 | A454 Q455 L456 V466 Q547 L548 W575 | A454-F540 HydrophobicContact CB-CD2 3.94Å; A454-F540 HydrophobicContact CB-CE2 4.03Å; Q455-F540 VanDerWaalsContact O-CD2 3.23Å; Q455-F540 WeakPolarHBondContact O-CD2 3.31Å; L456-F540 HydrophobicContact CB-CD1 3.92Å; L456-F540 HydrophobicContact CB-CD2 3.76Å; L456-F540 HydrophobicContact CB-CE1 3.94Å; L456-F540 HydrophobicContact CB-CE2 3.76Å; L456-F540 HydrophobicContact CB-CG 3.8Å; L456-F540 HydrophobicContact CB-CZ 3.84Å; L456-F540 HydrophobicContact CD1-CB 4.4Å; L456-F540 HydrophobicContact CD1-CD1 4.43Å; L456-F540 HydrophobicContact CD1-CG 4.41Å; L456-F540 HydrophobicContact CD2-CD1 4.21Å; L456-F540 HydrophobicContact CD2-CE1 4.15Å; L456-F540 HydrophobicContact CG-CD1 4.42Å; V466-F540 HydrophobicContact CG2-CE2 3.84Å; V466-F540 HydrophobicContact CG2-CZ 3.49Å; V466-F540 VanDerWaalsContact CG2-CZ 3.49Å; F540-Q547 CarbonylContact C-O 3.52Å; F540-Q547 WeakPolarHBondContact CA-O 3.25Å; F540-L548 HydrophobicContact CD1-CB 3.9Å; F540-L548 HydrophobicContact CD1-CD1 4.01Å; F540-L548 HydrophobicContact CD2-CD1 4.09Å; F540-L548 HydrophobicContact CE1-CB 3.74Å; F540-L548 HydrophobicContact CE1-CD1 3.95Å; F540-L548 HydrophobicContact CE1-CG 4.33Å; F540-L548 HydrophobicContact CE2-CD1 4.06Å; F540-L548 HydrophobicContact CG-CD1 4.1Å; F540-L548 HydrophobicContact CZ-CB 4.48Å; F540-L548 HydrophobicContact CZ-CD1 4Å; F540-W575 HydrophobicContact CD1-CH2 4.27Å; F540-W575 AromaticContact CE1-CH2 3.43Å; F540-W575 HydrophobicContact CE1-CH2 3.43Å; F540-W575 VanDerWaalsContact CE1-CH2 3.43Å; F540-W575 AromaticContact CE1-CZ2 3.92Å; F540-W575 HydrophobicContact CE1-CZ2 3.92Å; F540-W575 AromaticContact CE1-CZ3 3.93Å; F540-W575 HydrophobicContact CE1-CZ3 3.93Å; F540-W575 HydrophobicContact CZ-CH2 4.24Å; F540-W575 HydrophobicContact CZ-CZ2 4.29Å |
| 541 | V | 78.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.5 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | S543 Q547 Y549 P601 T615 W630 | V541-S543 PolarHBondContact O-N 2.81Å; V541-Q547 HydrophobicContact CB-CB 4.31Å; V541-Q547 PolarHBondContact N-O 3.45Å; V541-Y549 HydrophobicContact CG2-CD1 3.84Å; V541-P601 HydrophobicContact CB-CB 4.44Å; V541-P601 HydrophobicContact CG1-CB 4.15Å; V541-P601 HydrophobicContact CG2-CB 4.08Å; V541-P601 HydrophobicContact CG2-CG 4.19Å; V541-T615 HydrophobicContact CG1-CG2 3.66Å; V541-W630 HydrophobicContact CB-CZ2 4.43Å; V541-W630 HydrophobicContact CG1-CD2 4.27Å; V541-W630 HydrophobicContact CG1-CG 4.47Å; V541-W630 HydrophobicContact CG1-CZ2 4.43Å; V541-W630 HydrophobicContact CG2-CH2 3.75Å; V541-W630 HydrophobicContact CG2-CZ2 3.64Å; V541-W630 HydrophobicContact CG2-CZ3 4.22Å |
| 542 | P | 67.7 | Low | 80.8 | Confident | 60 Ų | 60 | 35.8 Ų | 35.8 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | trans | -70.3 | 83.1 | 175 | 29.1 | -33.8 | 0 | 0 | 0 | 109.7 | N603 | P542-N603 VanDerWaalsContact O-CG 3.25Å; P542-N603 PolarHBondContact O-ND2 3.45Å; P542-N603 PolarHBondContact O-OD1 3.23Å | ||
| 543 | S | 67.1 | Low | 80.8 | Confident | 28 Ų | 28 | 36.5 Ų | 36.5 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -137.7 | 156.7 | 176.7 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | V541 K545 N546 Q547 | V541-S543 PolarHBondContact O-N 2.81Å; S543-K545 PolarHBondContact O-N 2.73Å; S543-N546 PolarHBondContact O-N 2.93Å; S543-N546 VanDerWaalsContact O-N 3.1Å; S543-Q547 PolarHBondContact OG-OE1 3.3Å |
| 544 | E | 67.7 | Low | 80.6 | Confident | 190 Ų | 190 | 38.5 Ų | 38.5 | 89% | 0.888 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -22.4 | 178.8 | -62.8 | -167.2 | 167.7 | 0 | 0 | 113.2 | N546 | E544-N546 VanDerWaalsContact C-N 3.33Š|
| 545 | K | 71.9 | Confident | 80.2 | Confident | 131 Ų | 131 | 38.1 Ų | 38.1 | 57% | 0.57 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.6 | -178.3 | -65.9 | -176.4 | -179 | 177.6 | 0 | 114 | S543 Q547 | S543-K545 PolarHBondContact O-N 2.73Å; K545-Q547 HydrophobicContact CB-CG 3.81Å |
| 546 | N | 78.7 | Confident | 80.1 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | trans | 47.4 | 70.6 | -175.7 | -68.8 | -32.7 | 0 | 0 | 0 | 111.6 | L456 S543 E544 Y562 W575 | L456-N546 HydrophobicContact CD2-CB 3.83Å; S543-N546 PolarHBondContact O-N 2.93Å; S543-N546 VanDerWaalsContact O-N 3.1Å; E544-N546 VanDerWaalsContact C-N 3.33Å; N546-Y562 PolarHBondContact O-N 3.18Å; N546-W575 WeakPolarHBondContact O-CZ3 3.17Å | ||
| 547 | Q | 85.2 | Confident | 80.3 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 142.5 | -175.6 | -51.2 | -178.3 | -68.9 | 0 | 0 | 110.7 | F540 V541 S543 K545 I559 W560 N561 | F540-Q547 CarbonylContact C-O 3.52Å; F540-Q547 WeakPolarHBondContact CA-O 3.25Å; V541-Q547 HydrophobicContact CB-CB 4.31Å; V541-Q547 PolarHBondContact N-O 3.45Å; S543-Q547 PolarHBondContact OG-OE1 3.3Å; K545-Q547 HydrophobicContact CB-CG 3.81Å; Q547-I559 HydrophobicContact CB-CG2 4.47Å; Q547-W560 CarbonylContact C-O 3.54Å; Q547-W560 VanDerWaalsContact CA-O 3.3Å; Q547-W560 WeakPolarHBondContact CA-O 3.19Å; Q547-N561 VanDerWaalsContact CG-OD1 3.22Å; Q547-N561 WeakPolarHBondContact CG-OD1 3.5Å; Q547-N561 PolarHBondContact NE2-OD1 2.68Å |
| 548 | L | 88.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.9 | 171.5 | 175.7 | 72.7 | 0 | 0 | 0 | 108.4 | A454 V466 W491 M538 F540 I559 W560 | A454-L548 HydrophobicContact CB-CD1 4.31Å; V466-L548 HydrophobicContact CG1-CD2 4.06Å; V466-L548 HydrophobicContact CG2-CD2 4.25Å; W491-L548 HydrophobicContact CZ2-CD2 4.2Å; M538-L548 HydrophobicContact CG-CD1 3.81Å; F540-L548 HydrophobicContact CD1-CB 3.9Å; F540-L548 HydrophobicContact CD1-CD1 4.01Å; F540-L548 HydrophobicContact CD2-CD1 4.09Å; F540-L548 HydrophobicContact CE1-CB 3.74Å; F540-L548 HydrophobicContact CE1-CD1 3.95Å; F540-L548 HydrophobicContact CE1-CG 4.33Å; F540-L548 HydrophobicContact CE2-CD1 4.06Å; F540-L548 HydrophobicContact CG-CD1 4.1Å; F540-L548 HydrophobicContact CZ-CB 4.48Å; F540-L548 HydrophobicContact CZ-CD1 4Å; L548-I559 CarbonylContact O-C 3.54Å; L548-I559 WeakPolarHBondContact O-CA 3.22Å; L548-W560 HydrophobicContact CB-CB 4.28Å; L548-W560 PolarHBondContact N-O 2.73Å; L548-W560 PolarHBondContact O-N 3.45Å |
| 549 | Y | 87.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 151.4 | 167.6 | 82.2 | -89.7 | 0 | 0 | 0 | 111.5 | S537 M538 E539 V541 L551 L557 M558 V599 P601 | S537-Y549 PolarHBondContact OG-OH 2.84Å; M538-Y549 WeakPolarHBondContact CA-O 3.31Å; E539-Y549 HydrophobicContact CB-CE1 3.63Å; E539-Y549 PolarHBondContact N-O 3.47Å; E539-Y549 WeakPolarHBondContact O-CD1 3.44Å; E539-Y549 VanDerWaalsContact O-CE1 3.31Å; E539-Y549 WeakPolarHBondContact O-CE1 3.49Å; E539-Y549 PolarHBondContact O-N 3.07Å; E539-Y549 VanDerWaalsContact O-N 3.16Å; V541-Y549 HydrophobicContact CG2-CD1 3.84Å; Y549-L551 HydrophobicContact CE2-CB 4.49Å; Y549-L557 HydrophobicContact CD2-CD1 3.57Å; Y549-L557 HydrophobicContact CG-CD1 4.03Å; Y549-M558 CarbonylContact C-O 3.51Å; Y549-M558 WeakPolarHBondContact CA-O 3.13Å; Y549-V599 HydrophobicContact CE2-CB 3.95Å; Y549-V599 HydrophobicContact CE2-CG1 4.18Å; Y549-V599 PolarHBondContact OH-O 2.79Å; Y549-P601 HydrophobicContact CD1-CG 4.14Å; Y549-P601 VanDerWaalsContact CE1-CD 3.46Å; Y549-P601 HydrophobicContact CE1-CG 3.55Å |
| 550 | V | 88.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.7 | 169.1 | -177 | 0 | 0 | 0 | 0 | 108.2 | L489 M528 A535 M538 L552 M558 W560 | L489-V550 HydrophobicContact CD1-CG2 3.93Å; L489-V550 HydrophobicContact CD2-CG2 4.21Å; M528-V550 HydrophobicContact CE-CG1 4.46Å; A535-V550 HydrophobicContact CB-CG1 3.52Å; M538-V550 HydrophobicContact CB-CG2 4.35Å; M538-V550 HydrophobicContact CG-CG2 3.95Å; M538-V550 HydrophobicContact SD-CG2 4.2Å; V550-L552 HydrophobicContact CG1-CD2 4.28Å; V550-M558 HydrophobicContact CB-CB 4.35Å; V550-M558 PolarHBondContact N-O 3.01Å; V550-M558 PolarHBondContact O-N 3.4Å; V550-W560 HydrophobicContact CB-CH2 4.35Å; V550-W560 HydrophobicContact CB-CZ3 3.74Å; V550-W560 HydrophobicContact CG2-CE3 4.11Å; V550-W560 HydrophobicContact CG2-CH2 4.16Å; V550-W560 HydrophobicContact CG2-CZ3 3.45Å; V550-W560 VanDerWaalsContact CG2-CZ3 3.45Å |
| 551 | L | 85.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127 | 174.2 | -179.4 | 67.4 | 0 | 0 | 0 | 109.8 | A535 V536 S537 Y549 L557 L583 V599 | A535-L551 CarbonylContact C-O 3.55Å; A535-L551 WeakPolarHBondContact CA-O 3.34Å; V536-L551 HydrophobicContact CG2-CB 4.13Å; V536-L551 HydrophobicContact CG2-CD2 3.69Å; V536-L551 HydrophobicContact CG2-CG 3.77Å; V536-L551 WeakPolarHBondContact CG2-O 3.3Å; V536-L551 PolarHBondContact N-O 2.89Å; S537-L551 PolarHBondContact O-N 3.2Å; Y549-L551 HydrophobicContact CE2-CB 4.49Å; L551-L557 HydrophobicContact CB-CD1 4.49Å; L551-L557 HydrophobicContact CD1-CB 4.49Å; L551-L583 HydrophobicContact CD1-CD1 3.8Å; L551-V599 HydrophobicContact CB-CG2 4.44Å; L551-V599 HydrophobicContact CD2-CG2 3.43Å; L551-V599 VanDerWaalsContact CD2-CG2 3.43Å; L551-V599 HydrophobicContact CG-CG2 4.36Å |
| 552 | L | 84.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 157.2 | 172.4 | -55.4 | -173.5 | 0 | 0 | 0 | 112 | M528 F531 C533 A535 V550 D554 Y555 R556 M558 | M528-L552 HydrophobicContact CE-CD2 3.93Å; F531-L552 HydrophobicContact CB-CD1 4.05Å; F531-L552 HydrophobicContact CD2-CD1 4.45Å; F531-L552 HydrophobicContact CG-CD1 4.2Å; C533-L552 HydrophobicContact CB-CD1 4.49Å; A535-L552 HydrophobicContact CB-CD2 3.98Å; V550-L552 HydrophobicContact CG1-CD2 4.28Å; L552-D554 WeakPolarHBondContact CB-OD1 3.49Å; L552-D554 PolarHBondContact O-N 3.17Å; L552-D554 VanDerWaalsContact O-N 3.07Å; L552-Y555 PolarHBondContact O-N 3.28Å; L552-R556 HydrophobicContact CB-CB 4.31Å; L552-R556 HydrophobicContact CD1-CB 4.1Å; L552-R556 HydrophobicContact CG-CB 4.35Å; L552-R556 PolarHBondContact N-O 3.04Å; L552-M558 HydrophobicContact CD1-CE 4.36Å |
| 553 | M | 78.7 | Confident | 82.2 | Confident | 83 Ų | 83 | 34.6 Ų | 34.6 | 41% | 0.409 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.1 | 176.7 | -81.6 | -91.1 | -90.5 | 0 | 0 | 113.7 | P534 V536 Y555 P595 | P534-M553 HydrophobicContact CG-CG 3.85Å; P534-M553 WeakPolarHBondContact O-CG 3.49Å; P534-M553 PolarHBondContact O-N 3.31Å; V536-M553 HydrophobicContact CG1-CB 4.11Å; V536-M553 HydrophobicContact CG1-CG 3.36Å; V536-M553 HydrophobicContact CG1-SD 3.59Å; V536-M553 VanDerWaalsContact CG1-SD 3.59Å; M553-Y555 VanDerWaalsContact C-N 3.33Å; M553-P595 HydrophobicContact CE-CB 4.13Å; M553-P595 HydrophobicContact SD-CB 3.8Å |
| 554 | D | 78.3 | Confident | 82.7 | Confident | 56 Ų | 56 | 38.6 Ų | 38.6 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 16.2 | 178.9 | 67.4 | 0.6 | 0 | 0 | 0 | 113.8 | C533 L552 R556 L582 | C533-D554 PolarHBondContact SG-N 2.82Å; C533-D554 VanDerWaalsContact SG-N 3.44Å; L552-D554 WeakPolarHBondContact CB-OD1 3.49Å; L552-D554 PolarHBondContact O-N 3.17Å; L552-D554 VanDerWaalsContact O-N 3.07Å; D554-R556 VanDerWaalsContact C-N 3.26Å; D554-R556 VanDerWaalsContact CG-NE 3.26Å; D554-R556 PolarHBondContact O-N 3.08Å; D554-R556 WeakPolarHBondContact OD1-CG 3.32Å; D554-R556 IonicContact OD1-CZ 2.81Å; D554-R556 PolarHBondContact OD1-N 2.8Å; D554-R556 IonicContact OD1-NE 2.81Å; D554-R556 PolarHBondContact OD1-NE 2.88Å; D554-R556 IonicContact OD1-NH2 3.68Å; D554-R556 IonicContact OD2-CZ 3.28Å; D554-R556 IonicContact OD2-NE 2.63Å; D554-R556 PolarHBondContact OD2-NE 3.3Å; D554-R556 IonicContact OD2-NH2 3.76Å; D554-R556 PolarHBondContact OD2-NH2 3.09Å; D554-L582 WeakPolarHBondContact O-CD1 3.4Å |
| 555 | Y | 73.9 | Confident | 83.2 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 15% | 0.153 | 16% | 0.16 | C | C | . | . | trans | 72.1 | 12.5 | 174 | -48.7 | -77.6 | 0 | 0 | 0 | 115.3 | L552 M553 L557 L583 I593 P594 | L552-Y555 PolarHBondContact O-N 3.28Å; M553-Y555 VanDerWaalsContact C-N 3.33Å; Y555-L557 PolarHBondContact O-N 3.11Å; Y555-L583 WeakPolarHBondContact O-CB 3.41Å; Y555-L583 PolarHBondContact O-N 2.8Å; Y555-I593 HydrophobicContact CD1-CD1 4.46Å; Y555-I593 HydrophobicContact CE1-CB 3.95Å; Y555-I593 HydrophobicContact CE1-CD1 4.16Å; Y555-I593 HydrophobicContact CE1-CG2 3.65Å; Y555-I593 HydrophobicContact CE2-CB 4.04Å; Y555-I593 VanDerWaalsContact CZ-CB 3.47Å; Y555-I593 VanDerWaalsContact OH-C 3.29Å; Y555-I593 WeakPolarHBondContact OH-CB 3.32Å; Y555-I593 WeakPolarHBondContact OH-CG2 3.4Å; Y555-I593 PolarHBondContact OH-O 3.01Å; Y555-P594 PolarHBondContact OH-O 2.68Å | ||
| 556 | R | 82.9 | Confident | 83.4 | Confident | 54 Ų | 54 | 30 Ų | 30 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 117.1 | 165.5 | -69.6 | -179.8 | -70 | 174.8 | -5.8 | 109.6 | F531 C533 L552 D554 H581 L582 | F531-R556 PolarHBondContact O-NH2 3.09Å; C533-R556 VanDerWaalsContact CB-NH2 3.3Å; L552-R556 HydrophobicContact CB-CB 4.31Å; L552-R556 HydrophobicContact CD1-CB 4.1Å; L552-R556 HydrophobicContact CG-CB 4.35Å; L552-R556 PolarHBondContact N-O 3.04Å; D554-R556 VanDerWaalsContact C-N 3.26Å; D554-R556 VanDerWaalsContact CG-NE 3.26Å; D554-R556 PolarHBondContact O-N 3.08Å; D554-R556 WeakPolarHBondContact OD1-CG 3.32Å; D554-R556 IonicContact OD1-CZ 2.81Å; D554-R556 PolarHBondContact OD1-N 2.8Å; D554-R556 IonicContact OD1-NE 2.81Å; D554-R556 PolarHBondContact OD1-NE 2.88Å; D554-R556 IonicContact OD1-NH2 3.68Å; D554-R556 IonicContact OD2-CZ 3.28Å; D554-R556 IonicContact OD2-NE 2.63Å; D554-R556 PolarHBondContact OD2-NE 3.3Å; D554-R556 IonicContact OD2-NH2 3.76Å; D554-R556 PolarHBondContact OD2-NH2 3.09Å; R556-H581 CarbonylContact C-O 3.54Å; R556-H581 WeakPolarHBondContact CA-O 3.41Å; R556-L582 HydrophobicContact CG-CD1 4.23Å |
| 557 | L | 83.9 | Confident | 83 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 112.6 | 172.2 | -177.2 | 70.2 | 0 | 0 | 0 | 108.9 | Y549 L551 Y555 I559 C580 H581 L583 L617 W630 I633 | Y549-L557 HydrophobicContact CD2-CD1 3.57Å; Y549-L557 HydrophobicContact CG-CD1 4.03Å; L551-L557 HydrophobicContact CB-CD1 4.49Å; L551-L557 HydrophobicContact CD1-CB 4.49Å; Y555-L557 PolarHBondContact O-N 3.11Å; L557-I559 HydrophobicContact CD2-CD1 4.43Å; L557-I559 HydrophobicContact CG-CG1 4.42Å; L557-C580 WeakPolarHBondContact O-CA 3.49Å; L557-H581 PolarHBondContact N-O 2.81Å; L557-H581 PolarHBondContact O-N 3.41Å; L557-L583 HydrophobicContact CB-CD1 3.9Å; L557-L583 HydrophobicContact CB-CD2 4.43Å; L557-L583 HydrophobicContact CB-CG 3.95Å; L557-L583 HydrophobicContact CD2-CD1 4.33Å; L557-L583 HydrophobicContact CD2-CD2 4.19Å; L557-L617 HydrophobicContact CD2-CD2 4.22Å; L557-W630 HydrophobicContact CD2-CZ3 4.06Å; L557-I633 HydrophobicContact CD2-CG2 3.81Å |
| 558 | M | 87.9 | Confident | 82.6 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 141.6 | 176.8 | -65.1 | -80.5 | -173.3 | 0 | 0 | 109.9 | F531 Y549 V550 L552 W560 C580 | F531-M558 HydrophobicContact CD1-CE 3.74Å; F531-M558 HydrophobicContact CD2-CE 4.15Å; F531-M558 HydrophobicContact CE1-CE 3.17Å; F531-M558 HydrophobicContact CE2-CE 3.62Å; F531-M558 HydrophobicContact CG-CE 4.2Å; F531-M558 HydrophobicContact CZ-CE 3.09Å; F531-M558 HydrophobicContact CZ-SD 4.11Å; Y549-M558 CarbonylContact C-O 3.51Å; Y549-M558 WeakPolarHBondContact CA-O 3.13Å; V550-M558 HydrophobicContact CB-CB 4.35Å; V550-M558 PolarHBondContact N-O 3.01Å; V550-M558 PolarHBondContact O-N 3.4Å; L552-M558 HydrophobicContact CD1-CE 4.36Å; M558-W560 HydrophobicContact CB-CE3 4.21Å; M558-W560 HydrophobicContact CB-CH2 3.52Å; M558-W560 HydrophobicContact CB-CZ3 3.25Å; M558-W560 HydrophobicContact CG-CH2 4.13Å; M558-W560 HydrophobicContact CG-CZ3 4.31Å; M558-C580 HydrophobicContact CE-CB 4.07Å; M558-C580 WeakPolarHBondContact CE-SG 3.4Å; M558-C580 HydrophobicContact SD-CB 3.46Å; M558-C580 WeakPolarHBondContact SD-CB 3.3Å; M558-C580 PolarHBondContact SD-SG 2.71Å |
| 559 | I | 88.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.6 | -177.1 | -55.3 | 176.7 | 0 | 0 | 0 | 109.8 | Q547 L548 L557 T578 S579 W630 L634 | Q547-I559 HydrophobicContact CB-CG2 4.47Å; L548-I559 CarbonylContact O-C 3.54Å; L548-I559 WeakPolarHBondContact O-CA 3.22Å; L557-I559 HydrophobicContact CD2-CD1 4.43Å; L557-I559 HydrophobicContact CG-CG1 4.42Å; I559-T578 PolarHBondContact O-N 2.82Å; I559-S579 PolarHBondContact N-O 3.29Å; I559-W630 HydrophobicContact CD1-CH2 3.59Å; I559-W630 HydrophobicContact CD1-CZ2 3.78Å; I559-W630 HydrophobicContact CD1-CZ3 4.41Å; I559-W630 HydrophobicContact CG1-CH2 3.91Å; I559-W630 HydrophobicContact CG1-CZ2 4.28Å; I559-W630 HydrophobicContact CG2-CZ2 4.17Å; I559-L634 HydrophobicContact CD1-CD2 3.51Å; I559-L634 HydrophobicContact CG2-CD2 4.39Å |
| 560 | W | 89.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.1 | 169.8 | -72.2 | -105.2 | 0 | 0 | 0 | 110 | L489 W491 Y526 M528 Q547 L548 V550 M558 W575 I576 | L489-W560 HydrophobicContact CD1-CH2 3.54Å; L489-W560 HydrophobicContact CD1-CZ2 3.68Å; L489-W560 HydrophobicContact CD1-CZ3 4.06Å; W491-W560 AromaticContact CH2-CD1 3.89Å; W491-W560 AromaticContact CH2-NE1 3.61Å; W491-W560 AromaticContact CZ2-CD1 3.68Å; W491-W560 HydrophobicContact CZ2-CD2 4.26Å; W491-W560 AromaticContact CZ2-CG 3.99Å; W491-W560 HydrophobicContact CZ2-CG 3.99Å; W491-W560 AromaticContact CZ2-NE1 3.81Å; Y526-W560 HydrophobicContact CD1-CZ2 4.05Å; Y526-W560 HydrophobicContact CE1-CZ2 4.21Å; Y526-W560 HydrophobicContact CG-CZ2 4.46Å; M528-W560 HydrophobicContact CE-CH2 4.18Å; M528-W560 HydrophobicContact SD-CH2 4.01Å; M528-W560 HydrophobicContact SD-CZ2 4.19Å; Q547-W560 CarbonylContact C-O 3.54Å; Q547-W560 VanDerWaalsContact CA-O 3.3Å; Q547-W560 WeakPolarHBondContact CA-O 3.19Å; L548-W560 HydrophobicContact CB-CB 4.28Å; L548-W560 PolarHBondContact N-O 2.73Å; L548-W560 PolarHBondContact O-N 3.45Å; V550-W560 HydrophobicContact CB-CH2 4.35Å; V550-W560 HydrophobicContact CB-CZ3 3.74Å; V550-W560 HydrophobicContact CG2-CE3 4.11Å; V550-W560 HydrophobicContact CG2-CH2 4.16Å; V550-W560 HydrophobicContact CG2-CZ3 3.45Å; V550-W560 VanDerWaalsContact CG2-CZ3 3.45Å; M558-W560 HydrophobicContact CB-CE3 4.21Å; M558-W560 HydrophobicContact CB-CH2 3.52Å; M558-W560 HydrophobicContact CB-CZ3 3.25Å; M558-W560 HydrophobicContact CG-CH2 4.13Å; M558-W560 HydrophobicContact CG-CZ3 4.31Å; W560-W575 HydrophobicContact CB-CE3 4.3Å; W560-I576 WeakPolarHBondContact CA-O 3.32Å |
| 561 | N | 87.9 | Confident | 80.5 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 145.4 | 172.5 | -68 | -17.2 | 0 | 0 | 0 | 109.8 | Q547 N563 I576 T578 | Q547-N561 VanDerWaalsContact CG-OD1 3.22Å; Q547-N561 WeakPolarHBondContact CG-OD1 3.5Å; Q547-N561 PolarHBondContact NE2-OD1 2.68Å; N561-N563 PolarHBondContact O-N 3.05Å; N561-I576 PolarHBondContact N-O 3.02Å; N561-I576 PolarHBondContact O-N 3.31Å; N561-I576 VanDerWaalsContact O-N 3.08Å; N561-T578 VanDerWaalsContact CG-OG1 3.24Å; N561-T578 PolarHBondContact ND2-OG1 3.29Å |
| 562 | Y | 85.2 | Confident | 80.1 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128 | 169.7 | -172.7 | -106.5 | 0 | 0 | 0 | 110.2 | W464 N546 F564 T567 P574 W575 | W464-Y562 HydrophobicContact CZ2-CE2 4.07Å; N546-Y562 PolarHBondContact O-N 3.18Å; Y562-F564 AromaticContact CD1-CD1 4Å; Y562-F564 HydrophobicContact CD1-CD1 4Å; Y562-F564 HydrophobicContact CD1-CE1 4.04Å; Y562-F564 HydrophobicContact CD1-CG 4.29Å; Y562-F564 HydrophobicContact CD1-CZ 4.36Å; Y562-F564 HydrophobicContact CE1-CD1 4.16Å; Y562-F564 HydrophobicContact CE1-CE1 4.45Å; Y562-F564 PolarHBondContact O-N 3.07Å; Y562-T567 HydrophobicContact CE1-CG2 4.28Å; Y562-P574 WeakPolarHBondContact CA-O 3.04Å; Y562-P574 WeakPolarHBondContact CD2-O 3.25Å; Y562-P574 HydrophobicContact CE2-CB 4.16Å; Y562-W575 HydrophobicContact CD2-CD2 4.27Å; Y562-W575 AromaticContact CD2-CE2 3.82Å; Y562-W575 AromaticContact CD2-CH2 3.86Å; Y562-W575 HydrophobicContact CD2-CH2 3.86Å; Y562-W575 AromaticContact CD2-CZ2 3.61Å; Y562-W575 HydrophobicContact CD2-CZ2 3.61Å; Y562-W575 HydrophobicContact CD2-CZ3 4.34Å; Y562-W575 HydrophobicContact CE2-CZ2 4.37Å; Y562-W575 HydrophobicContact CG-CH2 4.3Å; Y562-W575 HydrophobicContact CG-CZ2 4.47Å |
| 563 | N | 83.8 | Confident | 79.9 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | trans | -87.4 | 102.6 | 176.7 | -178 | 10.3 | 0 | 0 | 0 | 110.3 | N561 E565 Y566 S573 P574 I576 | N561-N563 PolarHBondContact O-N 3.05Å; N563-E565 PolarHBondContact O-N 3.04Å; N563-E565 VanDerWaalsContact O-N 3.15Å; N563-E565 VanDerWaalsContact OD1-CB 3.28Å; N563-E565 WeakPolarHBondContact OD1-CB 3.41Å; N563-E565 PolarHBondContact OD1-N 3.27Å; N563-Y566 VanDerWaalsContact O-CB 3.22Å; N563-Y566 WeakPolarHBondContact O-CB 3.43Å; N563-Y566 PolarHBondContact O-N 3.11Å; N563-Y566 VanDerWaalsContact O-N 3.08Å; N563-S573 WeakPolarHBondContact CB-O 3.38Å; N563-S573 PolarHBondContact ND2-O 3.47Å; N563-S573 VanDerWaalsContact ND2-O 3.12Å; N563-P574 PolarHBondContact N-O 3.49Å; N563-I576 HydrophobicContact CB-CD1 3.76Å; N563-I576 HydrophobicContact CB-CG1 4.11Å | ||
| 564 | F | 77.8 | Confident | 80 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -62.4 | -20.2 | 176.9 | -66.3 | -81.3 | 0 | 0 | 0 | 113.5 | Y562 Y566 T567 | Y562-F564 AromaticContact CD1-CD1 4Å; Y562-F564 HydrophobicContact CD1-CD1 4Å; Y562-F564 HydrophobicContact CD1-CE1 4.04Å; Y562-F564 HydrophobicContact CD1-CG 4.29Å; Y562-F564 HydrophobicContact CD1-CZ 4.36Å; Y562-F564 HydrophobicContact CE1-CD1 4.16Å; Y562-F564 HydrophobicContact CE1-CE1 4.45Å; Y562-F564 PolarHBondContact O-N 3.07Å; F564-Y566 PolarHBondContact O-N 3.22Å; F564-T567 PolarHBondContact O-N 3.31Å; F564-T567 PolarHBondContact O-OG1 3.49Å |
| 565 | E | 78.3 | Confident | 80.4 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -66.6 | -25.3 | 175.1 | -59.6 | -172.6 | 160.1 | 0 | 0 | 112.6 | N563 T567 K568 N569 Y572 | N563-E565 PolarHBondContact O-N 3.04Å; N563-E565 VanDerWaalsContact O-N 3.15Å; N563-E565 VanDerWaalsContact OD1-CB 3.28Å; N563-E565 WeakPolarHBondContact OD1-CB 3.41Å; N563-E565 PolarHBondContact OD1-N 3.27Å; E565-T567 PolarHBondContact O-N 3.05Å; E565-K568 PolarHBondContact O-N 3.05Å; E565-N569 PolarHBondContact O-N 2.99Å; E565-Y572 HydrophobicContact CB-CD2 4.29Å |
| 566 | Y | 76.1 | Confident | 81 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -55.7 | -38.1 | 174.5 | 174.4 | -106.2 | 0 | 0 | 0 | 112.3 | W464 V523 N563 F564 K568 N569 P570 Y572 P574 | W464-Y566 HydrophobicContact CH2-CE1 4.21Å; W464-Y566 HydrophobicContact CZ2-CE1 4.34Å; V523-Y566 HydrophobicContact CG1-CE2 4.39Å; V523-Y566 WeakPolarHBondContact CG1-OH 3.28Å; N563-Y566 VanDerWaalsContact O-CB 3.22Å; N563-Y566 WeakPolarHBondContact O-CB 3.43Å; N563-Y566 PolarHBondContact O-N 3.11Å; N563-Y566 VanDerWaalsContact O-N 3.08Å; F564-Y566 PolarHBondContact O-N 3.22Å; Y566-K568 PolarHBondContact O-N 3.14Å; Y566-N569 CarbonylContact O-C 3.55Å; Y566-N569 PolarHBondContact O-N 2.98Å; Y566-P570 HydrophobicContact CD2-CB 4.44Å; Y566-P570 HydrophobicContact CE2-CB 4Å; Y566-Y572 VanDerWaalsContact CD2-O 3.24Å; Y566-Y572 WeakPolarHBondContact CD2-O 3.4Å; Y566-P574 HydrophobicContact CD1-CB 3.87Å; Y566-P574 HydrophobicContact CD2-CB 4.11Å; Y566-P574 HydrophobicContact CE1-CB 4.22Å; Y566-P574 HydrophobicContact CE2-CB 4.43Å; Y566-P574 HydrophobicContact CG-CB 3.8Å |
| 567 | T | 71.6 | Confident | 81.2 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64 | -27.5 | 178.1 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | Y562 F564 E565 | Y562-T567 HydrophobicContact CE1-CG2 4.28Å; F564-T567 PolarHBondContact O-N 3.31Å; F564-T567 PolarHBondContact O-OG1 3.49Å; E565-T567 PolarHBondContact O-N 3.05Å |
| 568 | K | 75.8 | Confident | 81.2 | Confident | 183 Ų | 183 | 62.8 Ų | 62.8 | 80% | 0.796 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -38.6 | 178.7 | -61.8 | -179.4 | -178.6 | 175.5 | 0 | 111.8 | E565 Y566 | E565-K568 PolarHBondContact O-N 3.05Å; Y566-K568 PolarHBondContact O-N 3.14Å |
| 569 | N | 74 | Confident | 80.9 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | trans | -142.1 | 102.6 | -177.2 | -165.8 | -3.9 | 0 | 0 | 0 | 110.6 | E565 Y566 I571 Y572 | E565-N569 PolarHBondContact O-N 2.99Å; Y566-N569 CarbonylContact O-C 3.55Å; Y566-N569 PolarHBondContact O-N 2.98Å; N569-I571 PolarHBondContact O-N 2.81Å; N569-I571 WeakPolarHBondContact OD1-CD1 3.1Å; N569-I571 VanDerWaalsContact OD1-CG1 3.26Å; N569-I571 WeakPolarHBondContact OD1-CG1 3.47Å; N569-Y572 HydrophobicContact CB-CD2 4.11Å; N569-Y572 HydrophobicContact CB-CE2 4.17Å; N569-Y572 PolarHBondContact O-N 2.65Å | ||
| 570 | P | 70.9 | Confident | 80.6 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 10 | -175 | 29.7 | -35.4 | 0 | 0 | 0 | 114.3 | Y566 | Y566-P570 HydrophobicContact CD2-CB 4.44Å; Y566-P570 HydrophobicContact CE2-CB 4Å |
| 571 | I | 75.6 | Confident | 80.1 | Confident | 143 Ų | 143 | 68.3 Ų | 68.3 | 73% | 0.733 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -31 | 170.5 | -61.3 | 171.7 | 0 | 0 | 0 | 111 | N569 | N569-I571 PolarHBondContact O-N 2.81Å; N569-I571 WeakPolarHBondContact OD1-CD1 3.1Å; N569-I571 VanDerWaalsContact OD1-CG1 3.26Å; N569-I571 WeakPolarHBondContact OD1-CG1 3.47Å |
| 572 | Y | 76.3 | Confident | 79.6 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -77.4 | 155.3 | 179.4 | -65.1 | -71.2 | 0 | 0 | 0 | 111.9 | E565 Y566 N569 | E565-Y572 HydrophobicContact CB-CD2 4.29Å; Y566-Y572 VanDerWaalsContact CD2-O 3.24Å; Y566-Y572 WeakPolarHBondContact CD2-O 3.4Å; N569-Y572 HydrophobicContact CB-CD2 4.11Å; N569-Y572 HydrophobicContact CB-CE2 4.17Å; N569-Y572 PolarHBondContact O-N 2.65Å |
| 573 | S | 80.5 | Confident | 78.8 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | trans | -67.9 | 137.1 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | D524 N563 W575 | D524-S573 VanDerWaalsContact OD2-CB 3.24Å; D524-S573 WeakPolarHBondContact OD2-CB 3.39Å; N563-S573 WeakPolarHBondContact CB-O 3.38Å; N563-S573 PolarHBondContact ND2-O 3.47Å; N563-S573 VanDerWaalsContact ND2-O 3.12Å; S573-W575 PolarHBondContact O-N 3.02Å; S573-W575 PolarHBondContact OG-O 3.09Å | ||
| 574 | P | 81.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.019 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -68.8 | -21.1 | 174.9 | 27.5 | -35.1 | 0 | 0 | 0 | 112.8 | W464 V523 D524 Y562 N563 Y566 | W464-P574 HydrophobicContact CH2-CB 4.11Å; W464-P574 HydrophobicContact CH2-CG 4.34Å; V523-P574 HydrophobicContact CG1-CG 3.77Å; D524-P574 HydrophobicContact CB-CG 4.09Å; Y562-P574 WeakPolarHBondContact CA-O 3.04Å; Y562-P574 WeakPolarHBondContact CD2-O 3.25Å; Y562-P574 HydrophobicContact CE2-CB 4.16Å; N563-P574 PolarHBondContact N-O 3.49Å; Y566-P574 HydrophobicContact CD1-CB 3.87Å; Y566-P574 HydrophobicContact CD2-CB 4.11Å; Y566-P574 HydrophobicContact CE1-CB 4.22Å; Y566-P574 HydrophobicContact CE2-CB 4.43Å; Y566-P574 HydrophobicContact CG-CB 3.8Å |
| 575 | W | 86.5 | Confident | 76.6 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 1% | 0.011 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.3 | -176.1 | -64.4 | 100.8 | 0 | 0 | 0 | 110 | L456 W464 W491 F540 N546 W560 Y562 S573 | L456-W575 HydrophobicContact CD2-CH2 3.98Å; L456-W575 HydrophobicContact CD2-CZ2 4.35Å; W464-W575 AromaticContact CE3-NE1 3.84Å; W464-W575 AromaticContact CZ3-NE1 3.91Å; W491-W575 AromaticContact CD1-CD1 3.08Å; W491-W575 AromaticContact CD1-CD2 3.79Å; W491-W575 AromaticContact CD1-CE2 3.6Å; W491-W575 AromaticContact CD1-CG 3.53Å; W491-W575 AromaticContact CD1-NE1 3.16Å; W491-W575 HydrophobicContact CD2-CB 4.21Å; W491-W575 AromaticContact CD2-CD1 3.78Å; W491-W575 HydrophobicContact CD2-CG 4.06Å; W491-W575 AromaticContact CE2-CD1 3.91Å; W491-W575 AromaticContact CE2-CG 3.75Å; W491-W575 AromaticContact CG-CD1 3.3Å; W491-W575 AromaticContact CG-CG 3.96Å; W491-W575 HydrophobicContact CG-CG 3.96Å; W491-W575 AromaticContact CG-NE1 3.7Å; W491-W575 HydrophobicContact CZ2-CB 4.03Å; W491-W575 HydrophobicContact CZ2-CG 4.42Å; W491-W575 AromaticContact NE1-CD1 3.47Å; W491-W575 AromaticContact NE1-CD2 3.61Å; W491-W575 AromaticContact NE1-CE2 3.89Å; W491-W575 AromaticContact NE1-CG 3.38Å; W491-W575 AromaticContact NE1-NE1 3.8Å; F540-W575 HydrophobicContact CD1-CH2 4.27Å; F540-W575 AromaticContact CE1-CH2 3.43Å; F540-W575 HydrophobicContact CE1-CH2 3.43Å; F540-W575 VanDerWaalsContact CE1-CH2 3.43Å; F540-W575 AromaticContact CE1-CZ2 3.92Å; F540-W575 HydrophobicContact CE1-CZ2 3.92Å; F540-W575 AromaticContact CE1-CZ3 3.93Å; F540-W575 HydrophobicContact CE1-CZ3 3.93Å; F540-W575 HydrophobicContact CZ-CH2 4.24Å; F540-W575 HydrophobicContact CZ-CZ2 4.29Å; N546-W575 WeakPolarHBondContact O-CZ3 3.17Å; W560-W575 HydrophobicContact CB-CE3 4.3Å; Y562-W575 HydrophobicContact CD2-CD2 4.27Å; Y562-W575 AromaticContact CD2-CE2 3.82Å; Y562-W575 AromaticContact CD2-CH2 3.86Å; Y562-W575 HydrophobicContact CD2-CH2 3.86Å; Y562-W575 AromaticContact CD2-CZ2 3.61Å; Y562-W575 HydrophobicContact CD2-CZ2 3.61Å; Y562-W575 HydrophobicContact CD2-CZ3 4.34Å; Y562-W575 HydrophobicContact CE2-CZ2 4.37Å; Y562-W575 HydrophobicContact CG-CH2 4.3Å; Y562-W575 HydrophobicContact CG-CZ2 4.47Å; S573-W575 PolarHBondContact O-N 3.02Å; S573-W575 PolarHBondContact OG-O 3.09Å |
| 576 | I | 86.6 | Confident | 74.9 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.1 | -178.5 | -60.5 | 170.9 | 0 | 0 | 0 | 109.1 | W560 N561 N563 T578 | W560-I576 WeakPolarHBondContact CA-O 3.32Å; N561-I576 PolarHBondContact N-O 3.02Å; N561-I576 PolarHBondContact O-N 3.31Å; N561-I576 VanDerWaalsContact O-N 3.08Å; N563-I576 HydrophobicContact CB-CD1 3.76Å; N563-I576 HydrophobicContact CB-CG1 4.11Å; I576-T578 PolarHBondContact O-N 3.48Å; I576-T578 VanDerWaalsContact O-N 3.15Å; I576-T578 PolarHBondContact O-OG1 3.28Å |
| 577 | P | 87.1 | Confident | 73.1 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 117.2 | 170.8 | 26.5 | -31.5 | 0 | 0 | 0 | 108.4 | Y526 | Y526-P577 HydrophobicContact CE2-CG 4.21Å |
| 578 | T | 83.9 | Confident | 71.5 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -44.9 | -172.4 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | I559 N561 I576 | I559-T578 PolarHBondContact O-N 2.82Å; N561-T578 VanDerWaalsContact CG-OG1 3.24Å; N561-T578 PolarHBondContact ND2-OG1 3.29Å; I576-T578 PolarHBondContact O-N 3.48Å; I576-T578 VanDerWaalsContact O-N 3.15Å; I576-T578 PolarHBondContact O-OG1 3.28Å |
| 579 | S | 82.1 | Confident | 69.8 | Low | 32 Ų | 32 | 71.8 Ų | 71.8 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 162 | -177.8 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | I559 H581 | I559-S579 PolarHBondContact N-O 3.29Å; S579-H581 VanDerWaalsContact CB-NE2 3.25Å; S579-H581 WeakPolarHBondContact CB-NE2 3.39Å; S579-H581 PolarHBondContact OG-CD2 3.23Å; S579-H581 PolarHBondContact OG-NE2 2.78Å |
| 580 | C | 82.2 | Confident | 68 | Low | 64 Ų | 64 | 79.3 Ų | 79.3 | 43% | 0.432 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 118.7 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | L557 M558 | L557-C580 WeakPolarHBondContact O-CA 3.49Å; M558-C580 HydrophobicContact CE-CB 4.07Å; M558-C580 WeakPolarHBondContact CE-SG 3.4Å; M558-C580 HydrophobicContact SD-CB 3.46Å; M558-C580 WeakPolarHBondContact SD-CB 3.3Å; M558-C580 PolarHBondContact SD-SG 2.71Å |
| 581 | H | 78.3 | Confident | 66.2 | Low | 34 Ų | 34 | 80.5 Ų | 80.5 | 16% | 0.157 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.1 | -178.2 | -57.8 | -90.8 | 0 | 0 | 0 | 109.9 | R556 L557 S579 I633 | R556-H581 CarbonylContact C-O 3.54Å; R556-H581 WeakPolarHBondContact CA-O 3.41Å; L557-H581 PolarHBondContact N-O 2.81Å; L557-H581 PolarHBondContact O-N 3.41Å; S579-H581 VanDerWaalsContact CB-NE2 3.25Å; S579-H581 WeakPolarHBondContact CB-NE2 3.39Å; S579-H581 PolarHBondContact OG-CD2 3.23Å; S579-H581 PolarHBondContact OG-NE2 2.78Å; H581-I633 PolarHBondContact CE1-O 2.73Å; H581-I633 VanDerWaalsContact CE1-O 3.27Å; H581-I633 PolarHBondContact NE2-O 2.87Å |
| 582 | L | 77.3 | Confident | 64.4 | Low | 98 Ų | 98 | 80.7 Ų | 80.7 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 116.2 | 168.8 | -179.8 | 66.9 | 0 | 0 | 0 | 108.8 | D554 R556 S584 | D554-L582 WeakPolarHBondContact O-CD1 3.4Å; R556-L582 HydrophobicContact CG-CD1 4.23Å; L582-S584 PolarHBondContact O-N 3.26Å |
| 583 | L | 70.2 | Confident | 62.7 | Low | 8 Ų | 8 | 77.5 Ų | 77.5 | 4% | 0.042 | 43% | 0.433 | C | S | . | . | trans | -76.3 | 73.1 | 175.2 | -64.5 | 172.7 | 0 | 0 | 0 | 110.2 | L551 Y555 L557 Y585 | L551-L583 HydrophobicContact CD1-CD1 3.8Å; Y555-L583 WeakPolarHBondContact O-CB 3.41Å; Y555-L583 PolarHBondContact O-N 2.8Å; L557-L583 HydrophobicContact CB-CD1 3.9Å; L557-L583 HydrophobicContact CB-CD2 4.43Å; L557-L583 HydrophobicContact CB-CG 3.95Å; L557-L583 HydrophobicContact CD2-CD1 4.33Å; L557-L583 HydrophobicContact CD2-CD2 4.19Å; L583-Y585 HydrophobicContact CB-CD2 4.43Å; L583-Y585 HydrophobicContact CB-CE2 3.81Å; L583-Y585 HydrophobicContact CD2-CE2 3.78Å; L583-Y585 WeakPolarHBondContact CD2-OH 3Å; L583-Y585 HydrophobicContact CG-CE2 4.33Å; L583-Y585 PolarHBondContact O-N 2.99Å | ||
| 584 | S | 59.1 | Low | 60.8 | Low | 61 Ų | 61 | 77.8 Ų | 77.8 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | trans | -93.4 | 79.3 | 176 | -172.4 | 0 | 0 | 0 | 0 | 111 | L582 S586 | L582-S584 PolarHBondContact O-N 3.26Å; S584-S586 PolarHBondContact O-N 3.41Å; S584-S586 VanDerWaalsContact O-N 3.1Å | ||
| 585 | Y | 55.3 | Low | 58.9 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | trans | -85.6 | 73.6 | 166.3 | -52.2 | -70.2 | 0 | 0 | 0 | 108.5 | L583 N587 L628 P639 V641 | L583-Y585 HydrophobicContact CB-CD2 4.43Å; L583-Y585 HydrophobicContact CB-CE2 3.81Å; L583-Y585 HydrophobicContact CD2-CE2 3.78Å; L583-Y585 WeakPolarHBondContact CD2-OH 3Å; L583-Y585 HydrophobicContact CG-CE2 4.33Å; L583-Y585 PolarHBondContact O-N 2.99Å; Y585-N587 PolarHBondContact O-N 3.48Å; Y585-L628 HydrophobicContact CD1-CD2 4.06Å; Y585-L628 HydrophobicContact CD2-CD1 4.4Å; Y585-L628 HydrophobicContact CE1-CD1 4.21Å; Y585-L628 HydrophobicContact CE1-CD2 3.35Å; Y585-L628 HydrophobicContact CE1-CG 4.38Å; Y585-L628 HydrophobicContact CE2-CD1 3.42Å; Y585-L628 VanDerWaalsContact CE2-CD1 3.42Å; Y585-L628 HydrophobicContact CE2-CD2 4.07Å; Y585-L628 HydrophobicContact CE2-CG 4.32Å; Y585-L628 WeakPolarHBondContact OH-CD1 3.5Å; Y585-P639 HydrophobicContact CE1-CG 3.9Å; Y585-P639 WeakPolarHBondContact OH-CG 3.45Å; Y585-V641 HydrophobicContact CD1-CG2 3.97Å | ||
| 586 | S | 42 | Very low | 57 | Low | 84 Ų | 84 | 84.5 Ų | 84.5 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | trans | -70.2 | 122.3 | -178.2 | 60 | 0 | 0 | 0 | 0 | 111.2 | S584 | S584-S586 PolarHBondContact O-N 3.41Å; S584-S586 VanDerWaalsContact O-N 3.1Å | ||
| 587 | N | 38.9 | Very low | 55.4 | Low | 125 Ų | 125 | 81.3 Ų | 81.3 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | trans | -81.8 | 112.5 | 134.8 | -161.3 | -18.4 | 0 | 0 | 0 | 104.8 | Y585 N589 R590 | Y585-N587 PolarHBondContact O-N 3.48Å; N587-N589 PolarHBondContact O-N 2.8Å; N587-R590 PolarHBondContact O-N 2.76Å; N587-R590 VanDerWaalsContact O-N 3.13Å | ||
| 588 | P | 38.5 | Very low | 53.9 | Low | 106 Ų | 106 | 81 Ų | 81 | 69% | 0.688 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.6 | -164.9 | 17.9 | -30 | 0 | 0 | 0 | 115.1 | ||
| 589 | N | 40.1 | Very low | 52.7 | Low | 151 Ų | 151 | 77.4 Ų | 77.4 | 81% | 0.807 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 4.1 | -179.1 | -70.3 | -19.6 | 0 | 0 | 0 | 115.5 | N587 | N587-N589 PolarHBondContact O-N 2.8Š|
| 590 | R | 35.7 | Very low | 51.7 | Low | 221 Ų | 221 | 76.4 Ų | 76.4 | 83% | 0.834 | 44% | 0.436 | S | S | * | . | trans | -141.2 | 94.7 | 171.4 | -78.6 | -170 | 176.7 | 179.6 | 0.5 | 111 | N587 I592 | N587-R590 PolarHBondContact O-N 2.76Å; N587-R590 VanDerWaalsContact O-N 3.13Å; R590-I592 VanDerWaalsContact C-N 3.31Å; R590-I592 PolarHBondContact O-N 3.32Å | ||
| 591 | S | 33.7 | Very low | 50.6 | Low | 123 Ų | 123 | 73.7 Ų | 73.7 | 86% | 0.86 | 42% | 0.417 | S | S | * | . | trans | -82.2 | 11.8 | -176 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 592 | I | 37.1 | Very low | 49.7 | Very low | 146 Ų | 146 | 72.1 Ų | 72.1 | 75% | 0.749 | 41% | 0.41 | S | S | * | . | trans | -140.2 | 88.5 | -174.9 | -47.5 | 175 | 0 | 0 | 0 | 109.3 | R590 | R590-I592 VanDerWaalsContact C-N 3.31Å; R590-I592 PolarHBondContact O-N 3.32Å | ||
| 593 | I | 40.2 | Very low | 48.8 | Very low | 49 Ų | 49 | 69.3 Ų | 69.3 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -63 | 132.7 | 163.5 | -67.2 | 166.6 | 0 | 0 | 0 | 107.3 | Y555 S597 S621 | Y555-I593 HydrophobicContact CD1-CD1 4.46Å; Y555-I593 HydrophobicContact CE1-CB 3.95Å; Y555-I593 HydrophobicContact CE1-CD1 4.16Å; Y555-I593 HydrophobicContact CE1-CG2 3.65Å; Y555-I593 HydrophobicContact CE2-CB 4.04Å; Y555-I593 VanDerWaalsContact CZ-CB 3.47Å; Y555-I593 VanDerWaalsContact OH-C 3.29Å; Y555-I593 WeakPolarHBondContact OH-CB 3.32Å; Y555-I593 WeakPolarHBondContact OH-CG2 3.4Å; Y555-I593 PolarHBondContact OH-O 3.01Å; I593-S597 WeakPolarHBondContact CG2-OG 3.39Å; I593-S621 WeakPolarHBondContact CG2-OG 3.34Å |
| 594 | P | 40.8 | Very low | 48 | Very low | 56 Ų | 56 | 68.9 Ų | 68.9 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.8 | -179.6 | 24.5 | -32.8 | 0 | 0 | 0 | 111.9 | Y555 G596 | Y555-P594 PolarHBondContact OH-O 2.68Å; P594-G596 PolarHBondContact O-N 2.81Å |
| 595 | P | 41.2 | Very low | 47.3 | Very low | 97 Ų | 97 | 69.9 Ų | 69.9 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -57.5 | 135.6 | 171 | 24.6 | -32.7 | 0 | 0 | 0 | 110 | M553 | M553-P595 HydrophobicContact CE-CB 4.13Å; M553-P595 HydrophobicContact SD-CB 3.8Å |
| 596 | G | 47.5 | Very low | 46.8 | Very low | 51 Ų | 51 | 68.5 Ų | 68.5 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | trans | 119.5 | 7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | P594 L598 Y620 | P594-G596 PolarHBondContact O-N 2.81Å; G596-L598 PolarHBondContact O-N 3.18Å; G596-Y620 WeakPolarHBondContact O-CE2 3.48Å | ||
| 597 | S | 51.2 | Low | 46.8 | Very low | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.028 | 38% | 0.384 | C | S | . | . | trans | -68 | 121.4 | 170.3 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | I593 Y620 | I593-S597 WeakPolarHBondContact CG2-OG 3.39Å; S597-Y620 WeakPolarHBondContact CA-O 3.42Å; S597-Y620 WeakPolarHBondContact CB-O 3.31Å; S597-Y620 PolarHBondContact OG-O 3.13Å | ||
| 598 | L | 56.2 | Low | 47.1 | Very low | 59 Ų | 59 | 68.6 Ų | 68.6 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | trans | -116.7 | 148 | 178.3 | -132.4 | 145.9 | 0 | 0 | 0 | 107.3 | G596 Y620 | G596-L598 PolarHBondContact O-N 3.18Å; L598-Y620 HydrophobicContact CB-CD1 4.31Å; L598-Y620 HydrophobicContact CB-CE1 3.4Å; L598-Y620 HydrophobicContact CB-CE2 3.93Å; L598-Y620 WeakPolarHBondContact CB-OH 3.34Å; L598-Y620 WeakPolarHBondContact CD1-OH 3.32Å; L598-Y620 VanDerWaalsContact O-CD1 3.25Å; L598-Y620 WeakPolarHBondContact O-CD1 3.4Å; L598-Y620 PolarHBondContact O-N 2.67Å | ||
| 599 | V | 59.5 | Low | 47.1 | Very low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.2 | -178 | -179.7 | 0 | 0 | 0 | 0 | 106.2 | Y549 L551 L617 L618 V619 | Y549-V599 HydrophobicContact CE2-CB 3.95Å; Y549-V599 HydrophobicContact CE2-CG1 4.18Å; Y549-V599 PolarHBondContact OH-O 2.79Å; L551-V599 HydrophobicContact CB-CG2 4.44Å; L551-V599 HydrophobicContact CD2-CG2 3.43Å; L551-V599 VanDerWaalsContact CD2-CG2 3.43Å; L551-V599 HydrophobicContact CG-CG2 4.36Å; V599-L617 HydrophobicContact CG1-CD1 3.13Å; V599-L617 HydrophobicContact CG1-CD2 3.63Å; V599-L617 HydrophobicContact CG1-CG 3.34Å; V599-L618 VanDerWaalsContact CA-O 3.31Å; V599-L618 WeakPolarHBondContact CA-O 3.37Å; V599-V619 HydrophobicContact CG1-CG2 4.42Å; V599-V619 HydrophobicContact CG2-CG1 4.47Å; V599-V619 HydrophobicContact CG2-CG2 4.1Å |
| 600 | I | 60.5 | Low | 47.1 | Very low | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.056 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 110.6 | 172.4 | -60.4 | 175.3 | 0 | 0 | 0 | 107 | F602 L618 C666 L668 L683 | I600-F602 HydrophobicContact CG2-CD1 4.22Å; I600-F602 WeakPolarHBondContact O-CD1 3.24Å; I600-L618 PolarHBondContact N-O 3.18Å; I600-L618 PolarHBondContact O-N 3.01Å; I600-L618 VanDerWaalsContact O-N 3.09Å; I600-C666 HydrophobicContact CD1-CB 3.61Å; I600-C666 WeakPolarHBondContact CD1-SG 3.32Å; I600-L668 HydrophobicContact CG2-CB 4.45Å; I600-L683 HydrophobicContact CD1-CD2 4.02Å; I600-L683 HydrophobicContact CG2-CD2 4.42Å |
| 601 | P | 58.7 | Low | 47.5 | Very low | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136 | 169.1 | 33.2 | -34.8 | 0 | 0 | 0 | 109.5 | V541 Y549 L617 | V541-P601 HydrophobicContact CB-CB 4.44Å; V541-P601 HydrophobicContact CG1-CB 4.15Å; V541-P601 HydrophobicContact CG2-CB 4.08Å; V541-P601 HydrophobicContact CG2-CG 4.19Å; Y549-P601 HydrophobicContact CD1-CG 4.14Å; Y549-P601 VanDerWaalsContact CE1-CD 3.46Å; Y549-P601 HydrophobicContact CE1-CG 3.55Å; P601-L617 HydrophobicContact CB-CD1 3.81Å |
| 602 | F | 60.9 | Low | 48.2 | Very low | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 150.4 | 169.9 | 54.6 | -94.5 | 0 | 0 | 0 | 110.7 | I600 V604 S616 L618 L627 L668 R681 L683 C709 | I600-F602 HydrophobicContact CG2-CD1 4.22Å; I600-F602 WeakPolarHBondContact O-CD1 3.24Å; F602-V604 HydrophobicContact CD2-CG2 3.47Å; F602-V604 VanDerWaalsContact CD2-CG2 3.47Å; F602-V604 HydrophobicContact CE2-CG2 3.35Å; F602-S616 PolarHBondContact N-O 2.76Å; F602-S616 PolarHBondContact O-N 2.72Å; F602-L618 HydrophobicContact CE1-CB 3.63Å; F602-L618 HydrophobicContact CZ-CB 4.28Å; F602-L627 HydrophobicContact CE1-CD1 4.45Å; F602-L627 HydrophobicContact CE2-CD1 4.33Å; F602-L627 HydrophobicContact CZ-CD1 3.7Å; F602-L668 HydrophobicContact CB-CD1 4.02Å; F602-L668 HydrophobicContact CB-CD2 3.85Å; F602-L668 HydrophobicContact CD1-CD1 4.27Å; F602-L668 HydrophobicContact CG-CD1 4.15Å; F602-R681 HydrophobicContact CD2-CB 3.94Å; F602-R681 HydrophobicContact CD2-CG 3.8Å; F602-R681 HydrophobicContact CE2-CB 4.03Å; F602-R681 HydrophobicContact CE2-CG 4.29Å; F602-L683 HydrophobicContact CD1-CD2 4.49Å; F602-L683 HydrophobicContact CE1-CD1 3.87Å; F602-L683 HydrophobicContact CE1-CD2 4.16Å; F602-L683 HydrophobicContact CZ-CD1 3.96Å; F602-C709 HydrophobicContact CE2-CB 4.05Å; F602-C709 HydrophobicContact CZ-CB 3.79Å |
| 603 | N | 56.7 | Low | 48.8 | Very low | 39 Ų | 39 | 58.2 Ų | 58.2 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.8 | 176.7 | -72.3 | -18.3 | 0 | 0 | 0 | 111.4 | P542 T615 R681 | P542-N603 VanDerWaalsContact O-CG 3.25Å; P542-N603 PolarHBondContact O-ND2 3.45Å; P542-N603 PolarHBondContact O-OD1 3.23Å; N603-T615 WeakPolarHBondContact OD1-CB 3.25Å; N603-T615 WeakPolarHBondContact OD1-CG2 3.37Å; N603-T615 PolarHBondContact OD1-OG1 2.92Å; N603-R681 PolarHBondContact O-NE 2.89Å |
| 604 | V | 53.5 | Low | 49.8 | Very low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.4 | 170.6 | -172.6 | 0 | 0 | 0 | 0 | 107.9 | F602 S614 S616 V679 R681 | F602-V604 HydrophobicContact CD2-CG2 3.47Å; F602-V604 VanDerWaalsContact CD2-CG2 3.47Å; F602-V604 HydrophobicContact CE2-CG2 3.35Å; V604-S614 CarbonylContact C-O 3.55Å; V604-S614 PolarHBondContact N-O 2.93Å; V604-S614 VanDerWaalsContact N-O 3.1Å; V604-S614 CarbonylContact O-C 3.5Å; V604-S614 PolarHBondContact O-N 3.21Å; V604-S616 WeakPolarHBondContact CG2-OG 3.04Å; V604-V679 WeakPolarHBondContact CG1-O 3.37Å; V604-R681 HydrophobicContact CG2-CG 4.49Å |
| 605 | Q | 45.8 | Very low | 50.8 | Low | 81 Ų | 81 | 54.6 Ų | 54.6 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.9 | 171.6 | -90.4 | 173.5 | -36.9 | 0 | 0 | 109.3 | T613 V679 | Q605-T613 HydrophobicContact CG-CG2 3.67Å; Q605-V679 HydrophobicContact CB-CB 3.98Å; Q605-V679 HydrophobicContact CB-CG2 3.58Å; Q605-V679 PolarHBondContact O-N 3.46Å |
| 606 | S | 43.1 | Very low | 52.1 | Low | 29 Ų | 29 | 50.2 Ų | 50.2 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 120.5 | 166.9 | 146.2 | 0 | 0 | 0 | 0 | 106.6 | V608 N609 | S606-V608 PolarHBondContact O-N 3.21Å; S606-V608 PolarHBondContact OG-N 2.82Å; S606-N609 PolarHBondContact O-N 3.33Å |
| 607 | N | 42.2 | Very low | 53.3 | Low | 86 Ų | 86 | 47.8 Ų | 47.8 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -76.1 | 2.6 | -179.7 | -94.3 | 1.2 | 0 | 0 | 0 | 113.8 | N609 | N607-N609 PolarHBondContact O-N 2.74Å; N607-N609 VanDerWaalsContact O-N 3.14Å |
| 608 | V | 45.1 | Very low | 54.3 | Low | 124 Ų | 124 | 47.6 Ų | 47.6 | 75% | 0.752 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -61.4 | -22.8 | 170.3 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | S606 | S606-V608 PolarHBondContact O-N 3.21Å; S606-V608 PolarHBondContact OG-N 2.82Å |
| 609 | N | 39.2 | Very low | 55 | Low | 95 Ų | 95 | 45.5 Ų | 45.5 | 51% | 0.508 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -143.6 | 102.7 | 164.7 | -72.2 | -50.4 | 0 | 0 | 0 | 109 | S606 N607 S611 N612 | S606-N609 PolarHBondContact O-N 3.33Å; N607-N609 PolarHBondContact O-N 2.74Å; N607-N609 VanDerWaalsContact O-N 3.14Å; N609-S611 PolarHBondContact O-N 3.42Å; N609-N612 HydrophobicContact CB-CB 4.28Å; N609-N612 PolarHBondContact O-N 3.18Å |
| 610 | E | 39.9 | Very low | 55.6 | Low | 168 Ų | 168 | 45.6 Ų | 45.6 | 79% | 0.785 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -24.8 | 175.7 | -70.9 | -177.6 | 159.3 | 0 | 0 | 113.3 | ||
| 611 | S | 44.8 | Very low | 56 | Low | 99 Ų | 99 | 46.1 Ų | 46.1 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.7 | -179.9 | 64.9 | 0 | 0 | 0 | 0 | 115.8 | N609 | N609-S611 PolarHBondContact O-N 3.42Š|
| 612 | N | 48 | Very low | 56.8 | Low | 97 Ų | 97 | 46.8 Ų | 46.8 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | trans | -117.8 | 90.7 | -173.8 | -82.7 | -2.4 | 0 | 0 | 0 | 112.2 | N609 S614 | N609-N612 HydrophobicContact CB-CB 4.28Å; N609-N612 PolarHBondContact O-N 3.18Å; N612-S614 PolarHBondContact O-N 3.34Å; N612-S614 VanDerWaalsContact O-N 3.11Å | ||
| 613 | T | 50.3 | Low | 57.6 | Low | 70 Ų | 70 | 48 Ų | 48 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 115.3 | 160 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | Q605 | Q605-T613 HydrophobicContact CG-CG2 3.67Å |
| 614 | S | 60 | Low | 58.7 | Low | 23 Ų | 23 | 49.4 Ų | 49.4 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.4 | 174.9 | -64.5 | 0 | 0 | 0 | 0 | 108.5 | V604 N612 S616 | V604-S614 CarbonylContact C-O 3.55Å; V604-S614 PolarHBondContact N-O 2.93Å; V604-S614 VanDerWaalsContact N-O 3.1Å; V604-S614 CarbonylContact O-C 3.5Å; V604-S614 PolarHBondContact O-N 3.21Å; N612-S614 PolarHBondContact O-N 3.34Å; N612-S614 VanDerWaalsContact O-N 3.11Å; S614-S616 PolarHBondContact O-N 2.7Å |
| 615 | T | 62.3 | Low | 59.9 | Low | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 124.5 | 172.7 | -51.8 | 0 | 0 | 0 | 0 | 108.4 | V541 N603 N629 W630 | V541-T615 HydrophobicContact CG1-CG2 3.66Å; N603-T615 WeakPolarHBondContact OD1-CB 3.25Å; N603-T615 WeakPolarHBondContact OD1-CG2 3.37Å; N603-T615 PolarHBondContact OD1-OG1 2.92Å; T615-N629 PolarHBondContact O-OD1 2.83Å; T615-W630 HydrophobicContact CG2-CB 3.87Å; T615-W630 HydrophobicContact CG2-CG 4.06Å; T615-W630 WeakPolarHBondContact O-CB 3.29Å; T615-W630 PolarHBondContact O-N 3.37Å |
| 616 | S | 69.2 | Low | 61.5 | Low | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 146.7 | 172.8 | -59 | 0 | 0 | 0 | 0 | 110.1 | F602 V604 S614 L628 | F602-S616 PolarHBondContact N-O 2.76Å; F602-S616 PolarHBondContact O-N 2.72Å; V604-S616 WeakPolarHBondContact CG2-OG 3.04Å; S614-S616 PolarHBondContact O-N 2.7Å; S616-L628 CarbonylContact C-O 3.55Å; S616-L628 VanDerWaalsContact CA-O 3.32Å; S616-L628 WeakPolarHBondContact CA-O 3.35Å |
| 617 | L | 72.6 | Confident | 63.3 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.2 | 179.3 | -166.3 | 75.2 | 0 | 0 | 0 | 108.3 | L557 V599 P601 V619 L628 W630 I633 | L557-L617 HydrophobicContact CD2-CD2 4.22Å; V599-L617 HydrophobicContact CG1-CD1 3.13Å; V599-L617 HydrophobicContact CG1-CD2 3.63Å; V599-L617 HydrophobicContact CG1-CG 3.34Å; P601-L617 HydrophobicContact CB-CD1 3.81Å; L617-V619 HydrophobicContact CD2-CG2 4.15Å; L617-V619 HydrophobicContact CG-CG2 4.39Å; L617-L628 HydrophobicContact CB-CB 4.32Å; L617-L628 HydrophobicContact CD2-CD1 4.47Å; L617-L628 PolarHBondContact N-O 2.67Å; L617-L628 PolarHBondContact O-N 2.69Å; L617-W630 HydrophobicContact CB-CE3 4.37Å; L617-W630 HydrophobicContact CD1-CE3 3.85Å; L617-W630 HydrophobicContact CD1-CZ3 3.93Å; L617-W630 HydrophobicContact CD2-CE3 4.17Å; L617-W630 HydrophobicContact CD2-CZ3 4.17Å; L617-W630 HydrophobicContact CG-CE3 4.36Å; L617-I633 HydrophobicContact CB-CD1 3.89Å; L617-I633 HydrophobicContact CD2-CD1 3.32Å; L617-I633 HydrophobicContact CG-CD1 4.23Å |
| 618 | L | 72.4 | Confident | 65 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.3 | 173 | -176.3 | 74.9 | 0 | 0 | 0 | 109.7 | V599 I600 F602 L625 L627 L683 I714 | V599-L618 VanDerWaalsContact CA-O 3.31Å; V599-L618 WeakPolarHBondContact CA-O 3.37Å; I600-L618 PolarHBondContact N-O 3.18Å; I600-L618 PolarHBondContact O-N 3.01Å; I600-L618 VanDerWaalsContact O-N 3.09Å; F602-L618 HydrophobicContact CE1-CB 3.63Å; F602-L618 HydrophobicContact CZ-CB 4.28Å; L618-L625 HydrophobicContact CD1-CB 4.16Å; L618-L625 HydrophobicContact CD2-CD2 4.41Å; L618-L627 HydrophobicContact CB-CD1 4.37Å; L618-L627 HydrophobicContact CD1-CD1 4.34Å; L618-L683 HydrophobicContact CD2-CD1 4.11Å; L618-L683 HydrophobicContact CD2-CD2 3.69Å; L618-L683 HydrophobicContact CD2-CG 4.43Å; L618-I714 HydrophobicContact CD1-CD1 4.08Å |
| 619 | V | 71.4 | Confident | 66.6 | Low | 15 Ų | 15 | 36.9 Ų | 36.9 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.6 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | V599 L617 T626 L628 | V599-V619 HydrophobicContact CG1-CG2 4.42Å; V599-V619 HydrophobicContact CG2-CG1 4.47Å; V599-V619 HydrophobicContact CG2-CG2 4.1Å; L617-V619 HydrophobicContact CD2-CG2 4.15Å; L617-V619 HydrophobicContact CG-CG2 4.39Å; V619-T626 PolarHBondContact N-O 3.32Å; V619-T626 PolarHBondContact O-N 3.26Å; V619-L628 HydrophobicContact CB-CD1 4.45Å; V619-L628 HydrophobicContact CG2-CD1 3.57Å |
| 620 | Y | 70.9 | Confident | 68.4 | Low | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145 | 175.4 | 66.9 | -102.7 | 0 | 0 | 0 | 113.2 | G596 S597 L598 N624 L625 I663 C666 | G596-Y620 WeakPolarHBondContact O-CE2 3.48Å; S597-Y620 WeakPolarHBondContact CA-O 3.42Å; S597-Y620 WeakPolarHBondContact CB-O 3.31Å; S597-Y620 PolarHBondContact OG-O 3.13Å; L598-Y620 HydrophobicContact CB-CD1 4.31Å; L598-Y620 HydrophobicContact CB-CE1 3.4Å; L598-Y620 HydrophobicContact CB-CE2 3.93Å; L598-Y620 WeakPolarHBondContact CB-OH 3.34Å; L598-Y620 WeakPolarHBondContact CD1-OH 3.32Å; L598-Y620 VanDerWaalsContact O-CD1 3.25Å; L598-Y620 WeakPolarHBondContact O-CD1 3.4Å; L598-Y620 PolarHBondContact O-N 2.67Å; Y620-N624 CarbonylContact C-O 3.56Å; Y620-N624 WeakPolarHBondContact CA-O 3.47Å; Y620-N624 WeakPolarHBondContact CB-O 3.48Å; Y620-L625 HydrophobicContact CG-CD2 4.25Å; Y620-I663 HydrophobicContact CD2-CB 3.91Å; Y620-I663 HydrophobicContact CD2-CD1 4.17Å; Y620-I663 HydrophobicContact CD2-CG2 3.58Å; Y620-I663 HydrophobicContact CE1-CG2 4.48Å; Y620-I663 HydrophobicContact CE2-CB 4.07Å; Y620-I663 HydrophobicContact CE2-CG2 3.41Å; Y620-I663 VanDerWaalsContact CE2-CG2 3.41Å; Y620-I663 HydrophobicContact CG-CD1 4.26Å; Y620-I663 HydrophobicContact CG-CG2 4.21Å; Y620-C666 HydrophobicContact CD1-CB 4.46Å; Y620-C666 HydrophobicContact CE1-CB 3.62Å |
| 621 | S | 68.9 | Low | 70.1 | Confident | 23 Ų | 23 | 27.8 Ų | 27.8 | 16% | 0.161 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 116.2 | -176.1 | 145.7 | 0 | 0 | 0 | 0 | 109.5 | I593 L623 N624 | I593-S621 WeakPolarHBondContact CG2-OG 3.34Å; S621-L623 PolarHBondContact O-N 3.35Å; S621-N624 PolarHBondContact N-O 3.47Å; S621-N624 PolarHBondContact O-N 3.16Å |
| 622 | G | 74.8 | Confident | 71.6 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 21% | 0.206 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | -102.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | I663 | G622-I663 WeakPolarHBondContact O-CB 3.5Å; G622-I663 VanDerWaalsContact O-CG1 3.31Å; G622-I663 WeakPolarHBondContact O-CG1 3.32Å; G622-I663 PolarHBondContact O-N 3.27Å |
| 623 | L | 78.2 | Confident | 72.9 | Confident | 25 Ų | 25 | 21.3 Ų | 21.3 | 13% | 0.131 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 5.5 | 173.8 | -72.2 | -177.6 | 0 | 0 | 0 | 113.6 | S621 L647 K648 L651 V661 I663 V687 | S621-L623 PolarHBondContact O-N 3.35Å; L623-L647 HydrophobicContact CD2-CB 4.48Å; L623-L647 WeakPolarHBondContact O-CG 3.4Å; L623-L647 PolarHBondContact O-N 3.46Å; L623-K648 HydrophobicContact CD1-CB 3.97Å; L623-K648 HydrophobicContact CD1-CG 4.37Å; L623-L651 HydrophobicContact CD2-CD1 4.08Å; L623-V661 HydrophobicContact CD1-CB 4.1Å; L623-V661 HydrophobicContact CD1-CG1 4.28Å; L623-V661 HydrophobicContact CD2-CB 4.47Å; L623-V661 HydrophobicContact CD2-CG1 3.94Å; L623-I663 HydrophobicContact CD2-CG1 4.31Å; L623-V687 HydrophobicContact CD2-CG1 4.1Å |
| 624 | N | 79.5 | Confident | 74 | Confident | 70 Ų | 70 | 20.4 Ų | 20.4 | 37% | 0.374 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.3 | 179.5 | -64.6 | -16.4 | 0 | 0 | 0 | 109.3 | Y620 S621 I645 C646 | Y620-N624 CarbonylContact C-O 3.56Å; Y620-N624 WeakPolarHBondContact CA-O 3.47Å; Y620-N624 WeakPolarHBondContact CB-O 3.48Å; S621-N624 PolarHBondContact N-O 3.47Å; S621-N624 PolarHBondContact O-N 3.16Å; N624-I645 WeakPolarHBondContact CA-O 3.37Å; N624-C646 PolarHBondContact OD1-SG 3.31Å; N624-C646 VanDerWaalsContact OD1-SG 3.37Å |
| 625 | L | 80 | Confident | 74.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.3 | 170.2 | -65.4 | -175.2 | 0 | 0 | 0 | 107.8 | L618 Y620 S644 I645 L647 I663 I685 V707 I714 | L618-L625 HydrophobicContact CD1-CB 4.16Å; L618-L625 HydrophobicContact CD2-CD2 4.41Å; Y620-L625 HydrophobicContact CG-CD2 4.25Å; L625-S644 CarbonylContact O-C 3.5Å; L625-S644 VanDerWaalsContact O-CA 3.24Å; L625-S644 WeakPolarHBondContact O-CA 3.48Å; L625-I645 HydrophobicContact CB-CG2 3.77Å; L625-I645 HydrophobicContact CD1-CG2 4.1Å; L625-I645 HydrophobicContact CG-CG2 4.3Å; L625-I645 PolarHBondContact N-O 3.07Å; L625-I645 PolarHBondContact O-N 3.41Å; L625-L647 HydrophobicContact CD1-CD1 4.17Å; L625-L647 HydrophobicContact CD1-CD2 3.82Å; L625-L647 HydrophobicContact CD1-CG 4.29Å; L625-L647 HydrophobicContact CG-CD1 4.28Å; L625-L647 HydrophobicContact CG-CD2 4.28Å; L625-L647 HydrophobicContact CG-CG 4.31Å; L625-I663 HydrophobicContact CD2-CD1 3.6Å; L625-I663 HydrophobicContact CG-CD1 4.28Å; L625-I685 HydrophobicContact CD1-CD1 3.56Å; L625-I685 HydrophobicContact CD2-CD1 3.96Å; L625-I685 HydrophobicContact CG-CD1 4.37Å; L625-V707 HydrophobicContact CD1-CG1 4.1Å; L625-V707 HydrophobicContact CD1-CG2 4.09Å; L625-I714 HydrophobicContact CB-CD1 4.24Å; L625-I714 HydrophobicContact CD1-CG2 4.24Å |
| 626 | T | 78.7 | Confident | 74.9 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.7 | -179.5 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | V619 L628 V641 | V619-T626 PolarHBondContact N-O 3.32Å; V619-T626 PolarHBondContact O-N 3.26Å; T626-L628 HydrophobicContact CG2-CD2 4.24Å; T626-L628 HydrophobicContact CG2-CG 4.42Å; T626-V641 HydrophobicContact CG2-CB 4.36Å; T626-V641 HydrophobicContact CG2-CG1 3.6Å; T626-V641 HydrophobicContact CG2-CG2 3.9Å |
| 627 | L | 81 | Confident | 74.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133 | 174.9 | -168.5 | 73.8 | 0 | 0 | 0 | 109.8 | F602 L618 A642 A643 T710 I714 | F602-L627 HydrophobicContact CE1-CD1 4.45Å; F602-L627 HydrophobicContact CE2-CD1 4.33Å; F602-L627 HydrophobicContact CZ-CD1 3.7Å; L618-L627 HydrophobicContact CB-CD1 4.37Å; L618-L627 HydrophobicContact CD1-CD1 4.34Å; L627-A642 HydrophobicContact CB-CB 4.49Å; L627-A642 HydrophobicContact CD2-CB 4.31Å; L627-A642 HydrophobicContact CG-CB 4.4Å; L627-A642 PolarHBondContact O-N 3.02Å; L627-A643 HydrophobicContact CB-CB 4.17Å; L627-A643 HydrophobicContact CD2-CB 4.47Å; L627-A643 PolarHBondContact N-O 2.69Å; L627-A643 PolarHBondContact O-N 2.96Å; L627-T710 WeakPolarHBondContact CD2-O 3.36Å; L627-I714 HydrophobicContact CB-CD1 3.83Å; L627-I714 HydrophobicContact CB-CG1 4.18Å |
| 628 | L | 77.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153.7 | -179.9 | -57.4 | 159.9 | 0 | 0 | 0 | 109.4 | Y585 S616 L617 V619 T626 I633 V641 | Y585-L628 HydrophobicContact CD1-CD2 4.06Å; Y585-L628 HydrophobicContact CD2-CD1 4.4Å; Y585-L628 HydrophobicContact CE1-CD1 4.21Å; Y585-L628 HydrophobicContact CE1-CD2 3.35Å; Y585-L628 HydrophobicContact CE1-CG 4.38Å; Y585-L628 HydrophobicContact CE2-CD1 3.42Å; Y585-L628 VanDerWaalsContact CE2-CD1 3.42Å; Y585-L628 HydrophobicContact CE2-CD2 4.07Å; Y585-L628 HydrophobicContact CE2-CG 4.32Å; Y585-L628 WeakPolarHBondContact OH-CD1 3.5Å; S616-L628 CarbonylContact C-O 3.55Å; S616-L628 VanDerWaalsContact CA-O 3.32Å; S616-L628 WeakPolarHBondContact CA-O 3.35Å; L617-L628 HydrophobicContact CB-CB 4.32Å; L617-L628 HydrophobicContact CD2-CD1 4.47Å; L617-L628 PolarHBondContact N-O 2.67Å; L617-L628 PolarHBondContact O-N 2.69Å; V619-L628 HydrophobicContact CB-CD1 4.45Å; V619-L628 HydrophobicContact CG2-CD1 3.57Å; T626-L628 HydrophobicContact CG2-CD2 4.24Å; T626-L628 HydrophobicContact CG2-CG 4.42Å; L628-I633 HydrophobicContact CB-CD1 3.9Å; L628-I633 HydrophobicContact CB-CG1 4.43Å; L628-I633 HydrophobicContact CD1-CD1 4.15Å; L628-V641 HydrophobicContact CD2-CG2 4.12Å |
| 629 | N | 78.4 | Confident | 74 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.9 | 172.7 | -169.2 | -23.3 | 0 | 0 | 0 | 109.9 | T615 N631 E632 I633 | T615-N629 PolarHBondContact O-OD1 2.83Å; N629-N631 VanDerWaalsContact C-N 3.28Å; N629-N631 PolarHBondContact O-N 2.56Å; N629-N631 PolarHBondContact OD1-N 3.21Å; N629-N631 VanDerWaalsContact OD1-N 3.13Å; N629-E632 HydrophobicContact CB-CB 4.12Å; N629-E632 HydrophobicContact CB-CG 3.9Å; N629-E632 PolarHBondContact O-N 3.21Å; N629-E632 VanDerWaalsContact O-N 3.14Å; N629-I633 WeakPolarHBondContact O-CG1 3.3Å; N629-I633 PolarHBondContact O-N 2.58Å |
| 630 | W | 77.2 | Confident | 74 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 179.8 | -177.7 | -107.2 | 0 | 0 | 0 | 112.5 | V541 L557 I559 T615 L617 E632 I633 L634 | V541-W630 HydrophobicContact CB-CZ2 4.43Å; V541-W630 HydrophobicContact CG1-CD2 4.27Å; V541-W630 HydrophobicContact CG1-CG 4.47Å; V541-W630 HydrophobicContact CG1-CZ2 4.43Å; V541-W630 HydrophobicContact CG2-CH2 3.75Å; V541-W630 HydrophobicContact CG2-CZ2 3.64Å; V541-W630 HydrophobicContact CG2-CZ3 4.22Å; L557-W630 HydrophobicContact CD2-CZ3 4.06Å; I559-W630 HydrophobicContact CD1-CH2 3.59Å; I559-W630 HydrophobicContact CD1-CZ2 3.78Å; I559-W630 HydrophobicContact CD1-CZ3 4.41Å; I559-W630 HydrophobicContact CG1-CH2 3.91Å; I559-W630 HydrophobicContact CG1-CZ2 4.28Å; I559-W630 HydrophobicContact CG2-CZ2 4.17Å; T615-W630 HydrophobicContact CG2-CB 3.87Å; T615-W630 HydrophobicContact CG2-CG 4.06Å; T615-W630 WeakPolarHBondContact O-CB 3.29Å; T615-W630 PolarHBondContact O-N 3.37Å; L617-W630 HydrophobicContact CB-CE3 4.37Å; L617-W630 HydrophobicContact CD1-CE3 3.85Å; L617-W630 HydrophobicContact CD1-CZ3 3.93Å; L617-W630 HydrophobicContact CD2-CE3 4.17Å; L617-W630 HydrophobicContact CD2-CZ3 4.17Å; L617-W630 HydrophobicContact CG-CE3 4.36Å; W630-E632 VanDerWaalsContact C-N 3.27Å; W630-E632 PolarHBondContact O-N 3.44Å; W630-I633 HydrophobicContact CE3-CD1 4.3Å; W630-I633 WeakPolarHBondContact O-CB 3.13Å; W630-I633 PolarHBondContact O-N 2.86Å; W630-L634 HydrophobicContact CZ2-CD2 4.47Å; W630-L634 WeakPolarHBondContact O-CG 3.46Å; W630-L634 PolarHBondContact O-N 2.9Å |
| 631 | N | 76.4 | Confident | 74.2 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -33.3 | 179.6 | -69.5 | -27.4 | 0 | 0 | 0 | 111.6 | N629 L635 | N629-N631 VanDerWaalsContact C-N 3.28Å; N629-N631 PolarHBondContact O-N 2.56Å; N629-N631 PolarHBondContact OD1-N 3.21Å; N629-N631 VanDerWaalsContact OD1-N 3.13Å; N631-L635 WeakPolarHBondContact O-CD1 3.12Å; N631-L635 WeakPolarHBondContact O-CG 3.26Å |
| 632 | E | 75.5 | Confident | 74.5 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.9 | -38.9 | 174.3 | -68.2 | -177.5 | -174.7 | 0 | 0 | 111.8 | N629 W630 L634 L635 E636 P639 K640 | N629-E632 HydrophobicContact CB-CB 4.12Å; N629-E632 HydrophobicContact CB-CG 3.9Å; N629-E632 PolarHBondContact O-N 3.21Å; N629-E632 VanDerWaalsContact O-N 3.14Å; W630-E632 VanDerWaalsContact C-N 3.27Å; W630-E632 PolarHBondContact O-N 3.44Å; E632-L634 PolarHBondContact O-N 2.88Å; E632-L635 PolarHBondContact O-N 2.83Å; E632-E636 PolarHBondContact O-N 3.09Å; E632-P639 HydrophobicContact CB-CB 3.99Å; E632-K640 PolarHBondContact OE2-N 3.01Å |
| 633 | I | 75 | Confident | 74.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -38.2 | 176.4 | -65.9 | 168.4 | 0 | 0 | 0 | 111.1 | L557 H581 L617 L628 N629 W630 L635 P639 | L557-I633 HydrophobicContact CD2-CG2 3.81Å; H581-I633 PolarHBondContact CE1-O 2.73Å; H581-I633 VanDerWaalsContact CE1-O 3.27Å; H581-I633 PolarHBondContact NE2-O 2.87Å; L617-I633 HydrophobicContact CB-CD1 3.89Å; L617-I633 HydrophobicContact CD2-CD1 3.32Å; L617-I633 HydrophobicContact CG-CD1 4.23Å; L628-I633 HydrophobicContact CB-CD1 3.9Å; L628-I633 HydrophobicContact CB-CG1 4.43Å; L628-I633 HydrophobicContact CD1-CD1 4.15Å; N629-I633 WeakPolarHBondContact O-CG1 3.3Å; N629-I633 PolarHBondContact O-N 2.58Å; W630-I633 HydrophobicContact CE3-CD1 4.3Å; W630-I633 WeakPolarHBondContact O-CB 3.13Å; W630-I633 PolarHBondContact O-N 2.86Å; I633-L635 VanDerWaalsContact C-N 3.3Å; I633-L635 PolarHBondContact O-N 3.38Å; I633-P639 HydrophobicContact CG1-CB 3.95Å; I633-P639 HydrophobicContact CG1-CG 3.76Å |
| 634 | L | 73.7 | Confident | 75 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.1 | -25.6 | 178.9 | -69.4 | 172 | 0 | 0 | 0 | 113.4 | I559 W630 E632 | I559-L634 HydrophobicContact CD1-CD2 3.51Å; I559-L634 HydrophobicContact CG2-CD2 4.39Å; W630-L634 HydrophobicContact CZ2-CD2 4.47Å; W630-L634 WeakPolarHBondContact O-CG 3.46Å; W630-L634 PolarHBondContact O-N 2.9Å; E632-L634 PolarHBondContact O-N 2.88Å |
| 635 | L | 73 | Confident | 75.2 | Confident | 151 Ų | 151 | 51.2 Ų | 51.2 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -102.4 | -37.6 | -172.2 | -68.4 | 170.7 | 0 | 0 | 0 | 112.9 | N631 E632 I633 | N631-L635 WeakPolarHBondContact O-CD1 3.12Å; N631-L635 WeakPolarHBondContact O-CG 3.26Å; E632-L635 PolarHBondContact O-N 2.83Å; I633-L635 VanDerWaalsContact C-N 3.3Å; I633-L635 PolarHBondContact O-N 3.38Å |
| 636 | E | 67.9 | Low | 75.4 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | trans | -113.9 | 141.9 | -171.2 | -61.6 | -171.1 | 172.2 | 0 | 0 | 111.4 | E632 N638 | E632-E636 PolarHBondContact O-N 3.09Å; E636-N638 VanDerWaalsContact C-N 3.26Å; E636-N638 PolarHBondContact O-N 2.87Å | ||
| 637 | S | 62.6 | Low | 75.5 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -69.6 | -25.5 | 174.1 | 59.1 | 0 | 0 | 0 | 0 | 113 | ||
| 638 | N | 65.4 | Low | 75.4 | Confident | 113 Ų | 113 | 58.8 Ų | 58.8 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -130.3 | 78.6 | 179.7 | -77.9 | -26.2 | 0 | 0 | 0 | 109.4 | E636 | E636-N638 VanDerWaalsContact C-N 3.26Å; E636-N638 PolarHBondContact O-N 2.87Å |
| 639 | P | 68.3 | Low | 75.3 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.1 | -176.3 | 30.1 | -36.8 | 0 | 0 | 0 | 110.6 | Y585 E632 I633 | Y585-P639 HydrophobicContact CE1-CG 3.9Å; Y585-P639 WeakPolarHBondContact OH-CG 3.45Å; E632-P639 HydrophobicContact CB-CB 3.99Å; I633-P639 HydrophobicContact CG1-CB 3.95Å; I633-P639 HydrophobicContact CG1-CG 3.76Å |
| 640 | K | 71.6 | Confident | 75.3 | Confident | 143 Ų | 143 | 65.8 Ų | 65.8 | 62% | 0.622 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 140.7 | -177.9 | -68.5 | 176.4 | -175.6 | 166.8 | 0 | 109.8 | E632 A642 | E632-K640 PolarHBondContact OE2-N 3.01Å; K640-A642 PolarHBondContact O-N 2.77Å |
| 641 | V | 74.4 | Confident | 75.3 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 116.7 | 173.2 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | Y585 T626 L628 A643 | Y585-V641 HydrophobicContact CD1-CG2 3.97Å; T626-V641 HydrophobicContact CG2-CB 4.36Å; T626-V641 HydrophobicContact CG2-CG1 3.6Å; T626-V641 HydrophobicContact CG2-CG2 3.9Å; L628-V641 HydrophobicContact CD2-CG2 4.12Å; V641-A643 WeakPolarHBondContact CG1-O 3.35Å |
| 642 | A | 75.7 | Confident | 75.2 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L627 K640 | L627-A642 HydrophobicContact CB-CB 4.49Å; L627-A642 HydrophobicContact CD2-CB 4.31Å; L627-A642 HydrophobicContact CG-CB 4.4Å; L627-A642 PolarHBondContact O-N 3.02Å; K640-A642 PolarHBondContact O-N 2.77Å |
| 643 | A | 80.8 | Confident | 75.1 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 154.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L627 V641 I714 | L627-A643 HydrophobicContact CB-CB 4.17Å; L627-A643 HydrophobicContact CD2-CB 4.47Å; L627-A643 PolarHBondContact N-O 2.69Å; L627-A643 PolarHBondContact O-N 2.96Å; V641-A643 WeakPolarHBondContact CG1-O 3.35Å; A643-I714 HydrophobicContact CB-CD1 4.09Å; A643-I714 HydrophobicContact CB-CG1 3.8Å |
| 644 | S | 82.5 | Confident | 75.1 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 137.1 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | L625 | L625-S644 CarbonylContact O-C 3.5Å; L625-S644 VanDerWaalsContact O-CA 3.24Å; L625-S644 WeakPolarHBondContact O-CA 3.48Å |
| 645 | I | 84.2 | Confident | 75.1 | Confident | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.179 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.3 | 174.7 | -171.4 | 168.2 | 0 | 0 | 0 | 110.8 | N624 L625 L647 I714 | N624-I645 WeakPolarHBondContact CA-O 3.37Å; L625-I645 HydrophobicContact CB-CG2 3.77Å; L625-I645 HydrophobicContact CD1-CG2 4.1Å; L625-I645 HydrophobicContact CG-CG2 4.3Å; L625-I645 PolarHBondContact N-O 3.07Å; L625-I645 PolarHBondContact O-N 3.41Å; I645-L647 HydrophobicContact CG2-CD2 4.13Å; I645-I714 HydrophobicContact CB-CB 4.37Å; I645-I714 HydrophobicContact CB-CG2 4.44Å; I645-I714 HydrophobicContact CG2-CB 3.79Å; I645-I714 HydrophobicContact CG2-CD1 4.28Å; I645-I714 HydrophobicContact CG2-CG2 3.4Å; I645-I714 VanDerWaalsContact CG2-CG2 3.4Å |
| 646 | C | 83.1 | Confident | 74.8 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.2 | 169.7 | -178 | 0 | 0 | 0 | 0 | 108.9 | N624 K648 | N624-C646 PolarHBondContact OD1-SG 3.31Å; N624-C646 VanDerWaalsContact OD1-SG 3.37Å; C646-K648 PolarHBondContact O-N 3.23Å; C646-K648 VanDerWaalsContact O-N 3.14Å; C646-K648 WeakPolarHBondContact SG-CB 3.38Å |
| 647 | L | 80.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -72 | -6.4 | -178.6 | -52.1 | -178.7 | 0 | 0 | 0 | 113.1 | L623 L625 I645 D649 N650 L651 I663 M716 | L623-L647 HydrophobicContact CD2-CB 4.48Å; L623-L647 WeakPolarHBondContact O-CG 3.4Å; L623-L647 PolarHBondContact O-N 3.46Å; L625-L647 HydrophobicContact CD1-CD1 4.17Å; L625-L647 HydrophobicContact CD1-CD2 3.82Å; L625-L647 HydrophobicContact CD1-CG 4.29Å; L625-L647 HydrophobicContact CG-CD1 4.28Å; L625-L647 HydrophobicContact CG-CD2 4.28Å; L625-L647 HydrophobicContact CG-CG 4.31Å; I645-L647 HydrophobicContact CG2-CD2 4.13Å; L647-D649 VanDerWaalsContact C-N 3.34Å; L647-D649 PolarHBondContact O-N 3.15Å; L647-N650 PolarHBondContact O-N 3.38Å; L647-L651 HydrophobicContact CB-CD1 4.08Å; L647-L651 WeakPolarHBondContact O-CB 3.45Å; L647-L651 VanDerWaalsContact O-CG 3.25Å; L647-L651 WeakPolarHBondContact O-CG 3.39Å; L647-L651 PolarHBondContact O-N 3.33Å; L647-I663 HydrophobicContact CD1-CD1 3.9Å; L647-I663 HydrophobicContact CD1-CG1 4.12Å; L647-M716 HydrophobicContact CB-CE 3.84Å; L647-M716 HydrophobicContact CD1-CE 4.25Å; L647-M716 HydrophobicContact CD2-CE 3.35Å; L647-M716 HydrophobicContact CG-CE 3.97Å |
| 648 | K | 79.4 | Confident | 75 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.3 | -43 | -177.4 | -171.1 | -173.1 | 176 | -164 | 0 | 112.3 | L623 C646 L651 S652 | L623-K648 HydrophobicContact CD1-CB 3.97Å; L623-K648 HydrophobicContact CD1-CG 4.37Å; C646-K648 PolarHBondContact O-N 3.23Å; C646-K648 VanDerWaalsContact O-N 3.14Å; C646-K648 WeakPolarHBondContact SG-CB 3.38Å; K648-L651 PolarHBondContact O-N 3.38Å; K648-S652 WeakPolarHBondContact O-CB 3.47Å; K648-S652 PolarHBondContact O-N 3.36Å |
| 649 | D | 76 | Confident | 75 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.2 | -39.7 | -175.5 | -60.8 | -27.8 | 0 | 0 | 0 | 110.7 | L647 L651 S652 | L647-D649 VanDerWaalsContact C-N 3.34Å; L647-D649 PolarHBondContact O-N 3.15Å; D649-L651 PolarHBondContact O-N 3.36Å; D649-S652 WeakPolarHBondContact O-CB 3.47Å; D649-S652 PolarHBondContact O-N 3.01Å; D649-S652 PolarHBondContact O-OG 3.06Å |
| 650 | N | 78 | Confident | 75.2 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 35% | 0.353 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 174.7 | -62.7 | -42.1 | 0 | 0 | 0 | 112.7 | L647 S653 M716 | L647-N650 PolarHBondContact O-N 3.38Å; N650-S653 PolarHBondContact O-OG 3.35Å; N650-M716 HydrophobicContact CB-CE 3.6Å; N650-M716 HydrophobicContact CB-SD 3.36Å; N650-M716 WeakPolarHBondContact CB-SD 3.39Å |
| 651 | L | 77.7 | Confident | 75.4 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -85.6 | -12.3 | -179.4 | -65.7 | 171 | 0 | 0 | 0 | 113.8 | L623 L647 K648 D649 S653 L654 W655 V687 V719 | L623-L651 HydrophobicContact CD2-CD1 4.08Å; L647-L651 HydrophobicContact CB-CD1 4.08Å; L647-L651 WeakPolarHBondContact O-CB 3.45Å; L647-L651 VanDerWaalsContact O-CG 3.25Å; L647-L651 WeakPolarHBondContact O-CG 3.39Å; L647-L651 PolarHBondContact O-N 3.33Å; K648-L651 PolarHBondContact O-N 3.38Å; D649-L651 PolarHBondContact O-N 3.36Å; L651-S653 PolarHBondContact O-N 3.04Å; L651-L654 HydrophobicContact CD2-CD1 3.96Å; L651-L654 PolarHBondContact O-N 2.8Å; L651-W655 PolarHBondContact O-N 2.77Å; L651-W655 VanDerWaalsContact O-N 3.11Å; L651-V687 HydrophobicContact CD1-CB 4.45Å; L651-V687 HydrophobicContact CD1-CG1 3.87Å; L651-V687 HydrophobicContact CD1-CG2 4.19Å; L651-V719 HydrophobicContact CD2-CG1 4.23Å |
| 652 | S | 74.1 | Confident | 75.7 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.8 | -31.7 | -179.2 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | K648 D649 L654 P656 | K648-S652 WeakPolarHBondContact O-CB 3.47Å; K648-S652 PolarHBondContact O-N 3.36Å; D649-S652 WeakPolarHBondContact O-CB 3.47Å; D649-S652 PolarHBondContact O-N 3.01Å; D649-S652 PolarHBondContact O-OG 3.06Å; S652-L654 VanDerWaalsContact C-N 3.33Å; S652-P656 WeakPolarHBondContact O-CA 3.21Å; S652-P656 WeakPolarHBondContact O-CD 3.41Å |
| 653 | S | 73.9 | Confident | 75.9 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35.6 | 175.1 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | N650 L651 | N650-S653 PolarHBondContact O-OG 3.35Å; L651-S653 PolarHBondContact O-N 3.04Å |
| 654 | L | 73.6 | Confident | 75.9 | Confident | 58 Ų | 58 | 70 Ų | 70 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -44 | -179.8 | -74.2 | 162.6 | 0 | 0 | 0 | 111.2 | L651 S652 V719 | L651-L654 HydrophobicContact CD2-CD1 3.96Å; L651-L654 PolarHBondContact O-N 2.8Å; S652-L654 VanDerWaalsContact C-N 3.33Å; L654-V719 HydrophobicContact CD1-CB 4.39Å; L654-V719 HydrophobicContact CD1-CG1 3.45Å; L654-V719 VanDerWaalsContact CD1-CG1 3.45Å |
| 655 | W | 74.6 | Confident | 76 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | trans | -138.5 | 74.7 | -173.4 | -51.1 | -48.7 | 0 | 0 | 0 | 113.2 | L651 D657 S658 V661 V687 L701 A703 | L651-W655 PolarHBondContact O-N 2.77Å; L651-W655 VanDerWaalsContact O-N 3.11Å; W655-D657 PolarHBondContact O-N 2.87Å; W655-S658 PolarHBondContact O-N 2.83Å; W655-S658 PolarHBondContact O-OG 2.85Å; W655-V661 HydrophobicContact CZ3-CG1 4.32Å; W655-V687 HydrophobicContact CZ3-CG1 4.34Å; W655-L701 HydrophobicContact CB-CD1 4.07Å; W655-L701 HydrophobicContact CD2-CB 4.01Å; W655-L701 HydrophobicContact CD2-CD1 3.86Å; W655-L701 HydrophobicContact CD2-CG 4.39Å; W655-L701 HydrophobicContact CE3-CB 4.36Å; W655-L701 HydrophobicContact CG-CD1 3.62Å; W655-L701 HydrophobicContact CG-CG 4.46Å; W655-L701 HydrophobicContact CH2-CB 4.06Å; W655-L701 HydrophobicContact CZ2-CB 3.71Å; W655-L701 HydrophobicContact CZ3-CB 4.38Å; W655-A703 HydrophobicContact CH2-CB 3.5Å; W655-A703 VanDerWaalsContact CH2-CB 3.5Å; W655-A703 HydrophobicContact CZ2-CB 4.07Å; W655-A703 HydrophobicContact CZ3-CB 4.33Å | ||
| 656 | P | 66.9 | Low | 76 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 66% | 0.662 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.2 | -177.7 | 19.9 | -30.8 | 0 | 0 | 0 | 113.1 | S652 | S652-P656 WeakPolarHBondContact O-CA 3.21Å; S652-P656 WeakPolarHBondContact O-CD 3.41Å |
| 657 | D | 67.4 | Low | 76.1 | Confident | 124 Ų | 124 | 66.8 Ų | 66.8 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 16.2 | -175.9 | -66 | -37.1 | 0 | 0 | 0 | 114.7 | W655 | W655-D657 PolarHBondContact O-N 2.87Š|
| 658 | S | 67 | Low | 76.3 | Confident | 38 Ų | 38 | 68.9 Ų | 68.9 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | trans | -73.1 | 137.1 | -177.2 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | W655 V661 | W655-S658 PolarHBondContact O-N 2.83Å; W655-S658 PolarHBondContact O-OG 2.85Å; S658-V661 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 659 | K | 65.9 | Low | 76.6 | Confident | 153 Ų | 153 | 62.6 Ų | 62.6 | 67% | 0.665 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.7 | 169.7 | -72.4 | -173.9 | 178.7 | -179.6 | 0 | 108.9 | H690 | K659-H690 PolarHBondContact N-O 3.35Å |
| 660 | K | 71.1 | Confident | 76.7 | Confident | 190 Ų | 190 | 58.7 Ų | 58.7 | 83% | 0.826 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 65.1 | 177.8 | -57.7 | -176.4 | 175.2 | -171 | 0 | 113.5 | ||
| 661 | V | 76.5 | Confident | 76.3 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.2 | 167.3 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | L623 W655 S658 V687 | L623-V661 HydrophobicContact CD1-CB 4.1Å; L623-V661 HydrophobicContact CD1-CG1 4.28Å; L623-V661 HydrophobicContact CD2-CB 4.47Å; L623-V661 HydrophobicContact CD2-CG1 3.94Å; W655-V661 HydrophobicContact CZ3-CG1 4.32Å; S658-V661 WeakPolarHBondContact OG-CG2 3.49Å; V661-V687 HydrophobicContact CG1-CG1 3.22Å |
| 662 | I | 80.3 | Confident | 75.7 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.5 | 178 | 61 | 172.8 | 0 | 0 | 0 | 110.2 | R688 | I662-R688 PolarHBondContact N-O 3.39Å; I662-R688 PolarHBondContact O-N 2.73Å |
| 663 | I | 80.2 | Confident | 75.2 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.9 | 162.6 | -65.5 | 163.8 | 0 | 0 | 0 | 107.9 | Y620 G622 L623 L625 L647 I685 V687 | Y620-I663 HydrophobicContact CD2-CB 3.91Å; Y620-I663 HydrophobicContact CD2-CD1 4.17Å; Y620-I663 HydrophobicContact CD2-CG2 3.58Å; Y620-I663 HydrophobicContact CE1-CG2 4.48Å; Y620-I663 HydrophobicContact CE2-CB 4.07Å; Y620-I663 HydrophobicContact CE2-CG2 3.41Å; Y620-I663 VanDerWaalsContact CE2-CG2 3.41Å; Y620-I663 HydrophobicContact CG-CD1 4.26Å; Y620-I663 HydrophobicContact CG-CG2 4.21Å; G622-I663 WeakPolarHBondContact O-CB 3.5Å; G622-I663 VanDerWaalsContact O-CG1 3.31Å; G622-I663 WeakPolarHBondContact O-CG1 3.32Å; G622-I663 PolarHBondContact O-N 3.27Å; L623-I663 HydrophobicContact CD2-CG1 4.31Å; L625-I663 HydrophobicContact CD2-CD1 3.6Å; L625-I663 HydrophobicContact CG-CD1 4.28Å; L647-I663 HydrophobicContact CD1-CD1 3.9Å; L647-I663 HydrophobicContact CD1-CG1 4.12Å; I663-I685 HydrophobicContact CB-CG2 4.28Å; I663-I685 HydrophobicContact CD1-CG2 4.5Å; I663-I685 HydrophobicContact CG1-CG2 3.97Å; I663-I685 HydrophobicContact CG2-CG2 3.49Å; I663-I685 VanDerWaalsContact CG2-CG2 3.49Å; I663-V687 HydrophobicContact CG1-CG2 4.48Å |
| 664 | D | 81.2 | Confident | 74.4 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -49.1 | -175.9 | 177.5 | 37 | 0 | 0 | 0 | 112.3 | T686 R688 | D664-T686 WeakPolarHBondContact CB-O 3.42Å; D664-T686 PolarHBondContact N-O 3.31Å; D664-R688 HydrophobicContact CB-CB 4.16Å; D664-R688 IonicContact OD1-CZ 3.26Å; D664-R688 VanDerWaalsContact OD1-CZ 3.24Å; D664-R688 IonicContact OD1-NE 2.71Å; D664-R688 IonicContact OD1-NH1 3.42Å; D664-R688 IonicContact OD1-NH2 2.88Å; D664-R688 PolarHBondContact OD1-NH2 2.88Å; D664-R688 IonicContact OD2-CZ 3.72Å; D664-R688 IonicContact OD2-NE 3.31Å; D664-R688 PolarHBondContact OD2-NE 2.81Å; D664-R688 VanDerWaalsContact OD2-NE 3.17Å; D664-R688 IonicContact OD2-NH2 3.77Å; D664-R688 PolarHBondContact OD2-NH2 2.88Å |
| 665 | K | 83.9 | Confident | 73.3 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.9 | -178.2 | -49.1 | -168.9 | -179.1 | -47.8 | 0 | 110.1 | I685 T686 T726 L728 | K665-I685 CarbonylContact O-C 3.49Å; K665-I685 WeakPolarHBondContact O-CA 3.28Å; K665-T686 VanDerWaalsContact CB-OG1 3.28Å; K665-T686 WeakPolarHBondContact CB-OG1 3.21Å; K665-T686 PolarHBondContact N-O 3.02Å; K665-T686 PolarHBondContact N-OG1 3.18Å; K665-T686 PolarHBondContact O-N 3.34Å; K665-T686 PolarHBondContact O-OG1 3.04Å; K665-T726 WeakPolarHBondContact CE-O 3.45Å; K665-L728 HydrophobicContact CB-CB 4.19Å; K665-L728 HydrophobicContact CB-CD2 4.36Å; K665-L728 HydrophobicContact CD-CB 4.38Å |
| 666 | C | 84.5 | Confident | 72.1 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 14% | 0.142 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.7 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | I600 Y620 A684 I685 | I600-C666 HydrophobicContact CD1-CB 3.61Å; I600-C666 WeakPolarHBondContact CD1-SG 3.32Å; Y620-C666 HydrophobicContact CD1-CB 4.46Å; Y620-C666 HydrophobicContact CE1-CB 3.62Å; C666-A684 CarbonylContact C-O 3.52Å; C666-A684 VanDerWaalsContact CA-O 3.23Å; C666-A684 WeakPolarHBondContact CA-O 3.48Å; C666-I685 HydrophobicContact CB-CG1 4.27Å; C666-I685 VanDerWaalsContact SG-CG1 3.58Å |
| 667 | A | 85.2 | Confident | 71.4 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A684 L728 | A667-A684 PolarHBondContact N-O 2.89Å; A667-A684 PolarHBondContact O-N 3.08Å; A667-L728 HydrophobicContact CB-CD2 3.81Å; A667-L728 HydrophobicContact CB-CG 3.87Å |
| 668 | L | 85.4 | Confident | 70.9 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125.4 | 174.5 | -175.6 | 68.8 | 0 | 0 | 0 | 109.7 | I600 F602 R681 L683 S730 | I600-L668 HydrophobicContact CG2-CB 4.45Å; F602-L668 HydrophobicContact CB-CD1 4.02Å; F602-L668 HydrophobicContact CB-CD2 3.85Å; F602-L668 HydrophobicContact CD1-CD1 4.27Å; F602-L668 HydrophobicContact CG-CD1 4.15Å; L668-R681 HydrophobicContact CD1-CB 4.35Å; L668-L683 HydrophobicContact CD1-CD2 4.41Å; L668-L683 HydrophobicContact CD1-CG 4.12Å; L668-S730 WeakPolarHBondContact O-CB 3.3Å; L668-S730 PolarHBondContact O-OG 3.4Å |
| 669 | V | 85.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.4 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | H671 Y682 A684 L706 P735 L737 V751 | V669-H671 HydrophobicContact CG1-CB 4.39Å; V669-H671 PolarHBondContact O-N 3.39Å; V669-Y682 WeakPolarHBondContact CB-O 3.21Å; V669-Y682 PolarHBondContact N-O 3.04Å; V669-A684 HydrophobicContact CG2-CB 4.38Å; V669-L706 HydrophobicContact CG2-CD1 4.21Å; V669-P735 HydrophobicContact CG1-CB 4.2Å; V669-L737 HydrophobicContact CG2-CD1 4.23Å; V669-L737 HydrophobicContact CG2-CD2 3.98Å; V669-L737 HydrophobicContact CG2-CG 4.31Å; V669-V751 HydrophobicContact CG1-CG2 4.04Å; V669-V751 HydrophobicContact CG2-CG2 4.18Å |
| 670 | S | 76.9 | Confident | 71.3 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 71.1 | 178.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | H731 P732 | S670-H731 WeakPolarHBondContact CB-O 3.21Å; S670-H731 PolarHBondContact OG-O 2.82Å; S670-P732 VanDerWaalsContact CB-C 3.45Å; S670-P732 VanDerWaalsContact CB-O 3.25Å; S670-P732 WeakPolarHBondContact CB-O 3.47Å; S670-P732 VanDerWaalsContact OG-C 3.24Å; S670-P732 PolarHBondContact OG-O 2.95Å; S670-P732 VanDerWaalsContact OG-O 3.07Å |
| 671 | H | 69.9 | Low | 71.8 | Confident | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.255 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 146 | 171.4 | -173.3 | 68.7 | 0 | 0 | 0 | 110.2 | V669 P735 L753 | V669-H671 HydrophobicContact CG1-CB 4.39Å; V669-H671 PolarHBondContact O-N 3.39Å; H671-P735 HydrophobicContact CB-CB 4.16Å; H671-L753 HydrophobicContact CB-CD1 4.39Å; H671-L753 WeakPolarHBondContact CD2-CD1 3.08Å; H671-L753 WeakPolarHBondContact CD2-CD2 3.49Å; H671-L753 VanDerWaalsContact CE1-CD1 3.48Å; H671-L753 WeakPolarHBondContact CE1-CD1 3.32Å; H671-L753 VanDerWaalsContact CG-CD1 3.49Å; H671-L753 WeakPolarHBondContact NE2-CD1 3.45Å |
| 672 | T | 65 | Low | 72.3 | Confident | 61 Ų | 61 | 50 Ų | 50 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.2 | 172.4 | 46.7 | 0 | 0 | 0 | 0 | 107.4 | V679 | T672-V679 HydrophobicContact CG2-CG1 4.12Å |
| 673 | D | 64 | Low | 72.6 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.2 | 171.7 | -164.7 | 6.1 | 0 | 0 | 0 | 108.1 | D675 V679 A680 Y682 | D673-D675 PolarHBondContact O-N 3.37Å; D673-V679 WeakPolarHBondContact O-CA 3.43Å; D673-A680 PolarHBondContact N-O 2.78Å; D673-A680 PolarHBondContact O-N 3.22Å; D673-Y682 HydrophobicContact CB-CE2 4.01Å; D673-Y682 PolarHBondContact OD2-OH 3.04Å |
| 674 | N | 56.3 | Low | 73 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 81 | 172.7 | -74 | -1.5 | 0 | 0 | 0 | 106.4 | V679 | N674-V679 WeakPolarHBondContact OD1-CG2 3.49Å |
| 675 | D | 51.7 | Low | 73.4 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145 | 159.8 | -87.3 | -37.5 | 0 | 0 | 0 | 107.6 | D673 D677 N678 K708 | D673-D675 PolarHBondContact O-N 3.37Å; D675-D677 PolarHBondContact O-N 3.12Å; D675-N678 PolarHBondContact O-N 3.35Å; D675-K708 IonicContact OD2-NZ 2.77Å; D675-K708 PolarHBondContact OD2-NZ 2.97Å |
| 676 | D | 49.3 | Very low | 73.7 | Confident | 164 Ų | 164 | 41.6 Ų | 41.6 | 88% | 0.877 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -13.7 | -168.5 | -79.2 | -40 | 0 | 0 | 0 | 116.3 | ||
| 677 | D | 51.2 | Low | 73.8 | Confident | 131 Ų | 131 | 40.8 Ų | 40.8 | 70% | 0.701 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | -15.8 | 176.8 | -70.4 | -44 | 0 | 0 | 0 | 115.9 | D675 | D675-D677 PolarHBondContact O-N 3.12Š|
| 678 | N | 58 | Low | 73.8 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 133.9 | -173.1 | -82.9 | -42.3 | 0 | 0 | 0 | 113.8 | D675 A680 | D675-N678 PolarHBondContact O-N 3.35Å; N678-A680 PolarHBondContact O-N 3.17Å |
| 679 | V | 67.7 | Low | 73.5 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | V604 Q605 T672 D673 N674 | V604-V679 WeakPolarHBondContact CG1-O 3.37Å; Q605-V679 HydrophobicContact CB-CB 3.98Å; Q605-V679 HydrophobicContact CB-CG2 3.58Å; Q605-V679 PolarHBondContact O-N 3.46Å; T672-V679 HydrophobicContact CG2-CG1 4.12Å; D673-V679 WeakPolarHBondContact O-CA 3.43Å; N674-V679 WeakPolarHBondContact OD1-CG2 3.49Å |
| 680 | A | 74.5 | Confident | 73 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D673 N678 K708 T710 | D673-A680 PolarHBondContact N-O 2.78Å; D673-A680 PolarHBondContact O-N 3.22Å; N678-A680 PolarHBondContact O-N 3.17Å; A680-K708 HydrophobicContact CB-CD 4.19Å; A680-K708 HydrophobicContact CB-CG 3.92Å; A680-T710 HydrophobicContact CB-CG2 4.25Å |
| 681 | R | 81 | Confident | 72.6 | Confident | 56 Ų | 56 | 46 Ų | 46 | 21% | 0.211 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.4 | 171.6 | -70.1 | -69.2 | -167.6 | 164.8 | -5.2 | 110.1 | F602 N603 V604 L668 C709 | F602-R681 HydrophobicContact CD2-CB 3.94Å; F602-R681 HydrophobicContact CD2-CG 3.8Å; F602-R681 HydrophobicContact CE2-CB 4.03Å; F602-R681 HydrophobicContact CE2-CG 4.29Å; N603-R681 PolarHBondContact O-NE 2.89Å; V604-R681 HydrophobicContact CG2-CG 4.49Å; L668-R681 HydrophobicContact CD1-CB 4.35Å; R681-C709 PolarHBondContact N-O 2.98Å; R681-C709 PolarHBondContact O-N 3.43Å |
| 682 | Y | 86 | Confident | 72.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.6 | 178.4 | -64.7 | -88.2 | 0 | 0 | 0 | 111 | V669 D673 L706 V707 K708 M717 L753 I757 | V669-Y682 WeakPolarHBondContact CB-O 3.21Å; V669-Y682 PolarHBondContact N-O 3.04Å; D673-Y682 HydrophobicContact CB-CE2 4.01Å; D673-Y682 PolarHBondContact OD2-OH 3.04Å; Y682-L706 HydrophobicContact CD1-CD1 4.41Å; Y682-L706 HydrophobicContact CD1-CD2 4.29Å; Y682-L706 HydrophobicContact CD1-CG 4.29Å; Y682-V707 CarbonylContact C-O 3.6Å; Y682-V707 WeakPolarHBondContact CA-O 3.19Å; Y682-K708 HydrophobicContact CD1-CB 4.11Å; Y682-K708 HydrophobicContact CD1-CG 4.41Å; Y682-K708 HydrophobicContact CE1-CB 3.84Å; Y682-K708 HydrophobicContact CE1-CD 4.09Å; Y682-K708 HydrophobicContact CE1-CG 3.86Å; Y682-M717 HydrophobicContact CE1-CG 4.34Å; Y682-L753 HydrophobicContact CD2-CD2 4.28Å; Y682-L753 HydrophobicContact CE2-CD2 3.69Å; Y682-I757 HydrophobicContact CE1-CD1 3.97Å; Y682-I757 HydrophobicContact CE1-CG2 3.95Å; Y682-I757 WeakPolarHBondContact OH-CD1 3.3Å |
| 683 | L | 87.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.6 | 174.4 | -66.4 | 107.4 | 0 | 0 | 0 | 110.7 | I600 F602 L618 L668 L706 V707 C709 | I600-L683 HydrophobicContact CD1-CD2 4.02Å; I600-L683 HydrophobicContact CG2-CD2 4.42Å; F602-L683 HydrophobicContact CD1-CD2 4.49Å; F602-L683 HydrophobicContact CE1-CD1 3.87Å; F602-L683 HydrophobicContact CE1-CD2 4.16Å; F602-L683 HydrophobicContact CZ-CD1 3.96Å; L618-L683 HydrophobicContact CD2-CD1 4.11Å; L618-L683 HydrophobicContact CD2-CD2 3.69Å; L618-L683 HydrophobicContact CD2-CG 4.43Å; L668-L683 HydrophobicContact CD1-CD2 4.41Å; L668-L683 HydrophobicContact CD1-CG 4.12Å; L683-L706 WeakPolarHBondContact O-CA 3.26Å; L683-V707 PolarHBondContact N-O 3.3Å; L683-V707 PolarHBondContact O-N 2.97Å; L683-C709 HydrophobicContact CD1-CB 3.98Å; L683-C709 WeakPolarHBondContact CD1-SG 3.45Å |
| 684 | A | 89.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C666 A667 V669 L704 C705 L728 L737 | C666-A684 CarbonylContact C-O 3.52Å; C666-A684 VanDerWaalsContact CA-O 3.23Å; C666-A684 WeakPolarHBondContact CA-O 3.48Å; A667-A684 PolarHBondContact N-O 2.89Å; A667-A684 PolarHBondContact O-N 3.08Å; V669-A684 HydrophobicContact CG2-CB 4.38Å; A684-L704 HydrophobicContact CB-CD1 4.46Å; A684-C705 CarbonylContact C-O 3.55Å; A684-C705 WeakPolarHBondContact CA-O 3.34Å; A684-L728 HydrophobicContact CB-CD1 4.47Å; A684-L728 HydrophobicContact CB-CD2 4.27Å; A684-L728 WeakPolarHBondContact O-CD2 3.03Å; A684-L737 HydrophobicContact CB-CD1 3.4Å; A684-L737 VanDerWaalsContact CB-CD1 3.4Å; A684-L737 HydrophobicContact CB-CD2 3.48Å; A684-L737 VanDerWaalsContact CB-CD2 3.48Å; A684-L737 HydrophobicContact CB-CG 4.05Å |
| 685 | I | 89.4 | Confident | 71 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.5 | -175.5 | -61.3 | 170.4 | 0 | 0 | 0 | 109 | L625 I663 K665 C666 V687 C705 V707 | L625-I685 HydrophobicContact CD1-CD1 3.56Å; L625-I685 HydrophobicContact CD2-CD1 3.96Å; L625-I685 HydrophobicContact CG-CD1 4.37Å; I663-I685 HydrophobicContact CB-CG2 4.28Å; I663-I685 HydrophobicContact CD1-CG2 4.5Å; I663-I685 HydrophobicContact CG1-CG2 3.97Å; I663-I685 HydrophobicContact CG2-CG2 3.49Å; I663-I685 VanDerWaalsContact CG2-CG2 3.49Å; K665-I685 CarbonylContact O-C 3.49Å; K665-I685 WeakPolarHBondContact O-CA 3.28Å; C666-I685 HydrophobicContact CB-CG1 4.27Å; C666-I685 VanDerWaalsContact SG-CG1 3.58Å; I685-V687 HydrophobicContact CG2-CG2 4.2Å; I685-C705 HydrophobicContact CB-CB 4.47Å; I685-C705 PolarHBondContact N-O 3.27Å; I685-C705 PolarHBondContact O-N 2.78Å; I685-V707 HydrophobicContact CD1-CB 4.35Å; I685-V707 HydrophobicContact CD1-CG2 3.78Å |
| 686 | T | 89 | Confident | 71 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.4 | 169.1 | 59.4 | 0 | 0 | 0 | 0 | 109.6 | D664 K665 A703 L704 A725 L728 | D664-T686 WeakPolarHBondContact CB-O 3.42Å; D664-T686 PolarHBondContact N-O 3.31Å; K665-T686 VanDerWaalsContact CB-OG1 3.28Å; K665-T686 WeakPolarHBondContact CB-OG1 3.21Å; K665-T686 PolarHBondContact N-O 3.02Å; K665-T686 PolarHBondContact N-OG1 3.18Å; K665-T686 PolarHBondContact O-N 3.34Å; K665-T686 PolarHBondContact O-OG1 3.04Å; T686-A703 CarbonylContact C-O 3.59Å; T686-A703 WeakPolarHBondContact CA-O 3.35Å; T686-L704 HydrophobicContact CG2-CD1 3.74Å; T686-A725 HydrophobicContact CG2-CB 3.52Å; T686-L728 HydrophobicContact CG2-CB 4.42Å; T686-L728 HydrophobicContact CG2-CD2 4.2Å |
| 687 | V | 87.6 | Confident | 71.1 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.7 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | L623 L651 W655 V661 I663 I685 G702 A703 | L623-V687 HydrophobicContact CD2-CG1 4.1Å; L651-V687 HydrophobicContact CD1-CB 4.45Å; L651-V687 HydrophobicContact CD1-CG1 3.87Å; L651-V687 HydrophobicContact CD1-CG2 4.19Å; W655-V687 HydrophobicContact CZ3-CG1 4.34Å; V661-V687 HydrophobicContact CG1-CG1 3.22Å; I663-V687 HydrophobicContact CG1-CG2 4.48Å; I685-V687 HydrophobicContact CG2-CG2 4.2Å; V687-G702 VanDerWaalsContact O-CA 3.31Å; V687-G702 WeakPolarHBondContact O-CA 3.35Å; V687-A703 PolarHBondContact N-O 3.22Å; V687-A703 PolarHBondContact O-N 2.6Å |
| 688 | R | 84.3 | Confident | 71.4 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.7 | 178.7 | -143.7 | -165.5 | -59.9 | 139.1 | -15.5 | 110.4 | I662 D664 L701 | I662-R688 PolarHBondContact N-O 3.39Å; I662-R688 PolarHBondContact O-N 2.73Å; D664-R688 HydrophobicContact CB-CB 4.16Å; D664-R688 IonicContact OD1-CZ 3.26Å; D664-R688 VanDerWaalsContact OD1-CZ 3.24Å; D664-R688 IonicContact OD1-NE 2.71Å; D664-R688 IonicContact OD1-NH1 3.42Å; D664-R688 IonicContact OD1-NH2 2.88Å; D664-R688 PolarHBondContact OD1-NH2 2.88Å; D664-R688 IonicContact OD2-CZ 3.72Å; D664-R688 IonicContact OD2-NE 3.31Å; D664-R688 PolarHBondContact OD2-NE 2.81Å; D664-R688 VanDerWaalsContact OD2-NE 3.17Å; D664-R688 IonicContact OD2-NH2 3.77Å; D664-R688 PolarHBondContact OD2-NH2 2.88Å; R688-L701 WeakPolarHBondContact CA-O 3.41Å |
| 689 | G | 78.9 | Confident | 71.8 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 178 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L701 | G689-L701 PolarHBondContact N-O 2.92Å; G689-L701 PolarHBondContact O-N 2.91Å |
| 690 | H | 75 | Confident | 72 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.5 | 173.2 | -66.8 | -70.7 | 0 | 0 | 0 | 110.1 | K659 | K659-H690 PolarHBondContact N-O 3.35Å |
| 691 | A | 69 | Low | 72.2 | Confident | 25 Ų | 25 | 61 Ų | 61 | 21% | 0.207 | 31% | 0.31 | C | S | . | . | trans | -65.3 | 157.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V699 L701 | A691-V699 HydrophobicContact CB-CB 4.34Å; A691-V699 PolarHBondContact N-O 3.03Å; A691-L701 HydrophobicContact CB-CD1 4.07Å; A691-L701 HydrophobicContact CB-CG 4.37Å | ||
| 692 | S | 63.6 | Low | 72.5 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -57.7 | 151.7 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | S694 | S692-S694 PolarHBondContact O-N 3.12Å; S692-S694 VanDerWaalsContact O-N 3.09Å | ||
| 693 | R | 57.1 | Low | 72.7 | Confident | 192 Ų | 192 | 58.4 Ų | 58.4 | 73% | 0.725 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -2.4 | -179.9 | -88.3 | -175 | 171.3 | 172.4 | -0.6 | 114.5 | M695 | R693-M695 PolarHBondContact O-N 2.87Š|
| 694 | S | 55.2 | Low | 72.9 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27.3 | 178.6 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | S692 | S692-S694 PolarHBondContact O-N 3.12Å; S692-S694 VanDerWaalsContact O-N 3.09Å |
| 695 | M | 46.9 | Very low | 73 | Confident | 120 Ų | 120 | 58.4 Ų | 58.4 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -81.7 | 129.7 | 167.6 | -63.2 | -65.2 | -81.9 | 0 | 0 | 108.9 | R693 E697 | R693-M695 PolarHBondContact O-N 2.87Å; M695-E697 CarbonylContact O-C 3.58Å; M695-E697 PolarHBondContact O-N 2.77Å |
| 696 | S | 50.5 | Low | 73.1 | Confident | 131 Ų | 131 | 58.4 Ų | 58.4 | 92% | 0.916 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -53.2 | -18.1 | 179.8 | 43.4 | 0 | 0 | 0 | 0 | 114 | ||
| 697 | E | 52.8 | Low | 73 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -120.2 | 134.2 | 168.4 | -70.9 | -174.6 | 153.8 | 0 | 0 | 111.3 | M695 V699 | M695-E697 CarbonylContact O-C 3.58Å; M695-E697 PolarHBondContact O-N 2.77Å; E697-V699 PolarHBondContact O-N 2.93Å |
| 698 | R | 56.4 | Low | 73 | Confident | 158 Ų | 158 | 59.4 Ų | 59.4 | 60% | 0.596 | 30% | 0.304 | S | S | * | . | trans | -65.6 | 96 | 166.7 | -80.3 | -177.1 | 175.7 | 172 | -0.5 | 108.7 | S700 | R698-S700 PolarHBondContact O-N 3.45Š| ||
| 699 | V | 65.8 | Low | 73 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 122.4 | 170.3 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | A691 E697 L701 | A691-V699 HydrophobicContact CB-CB 4.34Å; A691-V699 PolarHBondContact N-O 3.03Å; E697-V699 PolarHBondContact O-N 2.93Å; V699-L701 HydrophobicContact CG1-CD2 4.3Å; V699-L701 PolarHBondContact O-N 2.8Å |
| 700 | S | 72.1 | Confident | 73 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 123.1 | 172 | 65.8 | 0 | 0 | 0 | 0 | 109 | R698 K742 | R698-S700 PolarHBondContact O-N 3.45Å; S700-K742 PolarHBondContact OG-NZ 2.95Å |
| 701 | L | 80.1 | Confident | 72.9 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.1 | -179.7 | -57.7 | 173.6 | 0 | 0 | 0 | 108.8 | W655 R688 G689 A691 V699 | W655-L701 HydrophobicContact CB-CD1 4.07Å; W655-L701 HydrophobicContact CD2-CB 4.01Å; W655-L701 HydrophobicContact CD2-CD1 3.86Å; W655-L701 HydrophobicContact CD2-CG 4.39Å; W655-L701 HydrophobicContact CE3-CB 4.36Å; W655-L701 HydrophobicContact CG-CD1 3.62Å; W655-L701 HydrophobicContact CG-CG 4.46Å; W655-L701 HydrophobicContact CH2-CB 4.06Å; W655-L701 HydrophobicContact CZ2-CB 3.71Å; W655-L701 HydrophobicContact CZ3-CB 4.38Å; R688-L701 WeakPolarHBondContact CA-O 3.41Å; G689-L701 PolarHBondContact N-O 2.92Å; G689-L701 PolarHBondContact O-N 2.91Å; A691-L701 HydrophobicContact CB-CD1 4.07Å; A691-L701 HydrophobicContact CB-CG 4.37Å; V699-L701 HydrophobicContact CG1-CD2 4.3Å; V699-L701 PolarHBondContact O-N 2.8Å |
| 702 | G | 86.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 138.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V687 D722 V723 | V687-G702 VanDerWaalsContact O-CA 3.31Å; V687-G702 WeakPolarHBondContact O-CA 3.35Å; G702-D722 CarbonylContact O-C 3.57Å; G702-D722 WeakPolarHBondContact O-CA 3.19Å; G702-D722 PolarHBondContact O-N 2.84Å; G702-V723 CarbonylContact C-O 3.55Å; G702-V723 VanDerWaalsContact CA-O 3.28Å; G702-V723 WeakPolarHBondContact CA-O 3.36Å; G702-V723 PolarHBondContact O-N 3.28Å |
| 703 | A | 89.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | W655 T686 V687 V719 V720 V723 | W655-A703 HydrophobicContact CH2-CB 3.5Å; W655-A703 VanDerWaalsContact CH2-CB 3.5Å; W655-A703 HydrophobicContact CZ2-CB 4.07Å; W655-A703 HydrophobicContact CZ3-CB 4.33Å; T686-A703 CarbonylContact C-O 3.59Å; T686-A703 WeakPolarHBondContact CA-O 3.35Å; V687-A703 PolarHBondContact N-O 3.22Å; V687-A703 PolarHBondContact O-N 2.6Å; A703-V719 HydrophobicContact CB-CG1 4.26Å; A703-V720 CarbonylContact C-O 3.55Å; A703-V720 WeakPolarHBondContact CA-O 3.47Å; A703-V720 WeakPolarHBondContact CB-O 3.45Å; A703-V723 PolarHBondContact N-O 3.48Å |
| 704 | L | 92 | Very high | 75.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.6 | 170.9 | 179 | 68.8 | 0 | 0 | 0 | 108.6 | A684 T686 V720 V723 L728 V739 Y749 L759 | A684-L704 HydrophobicContact CB-CD1 4.46Å; T686-L704 HydrophobicContact CG2-CD1 3.74Å; L704-V720 HydrophobicContact CB-CB 4.37Å; L704-V720 PolarHBondContact N-O 3.08Å; L704-V720 PolarHBondContact O-N 3.09Å; L704-V723 HydrophobicContact CB-CB 4.16Å; L704-V723 HydrophobicContact CB-CG1 4.16Å; L704-V723 HydrophobicContact CB-CG2 4.05Å; L704-L728 HydrophobicContact CD1-CD1 4.33Å; L704-V739 HydrophobicContact CD1-CG2 4.48Å; L704-V739 HydrophobicContact CD2-CG2 4.07Å; L704-Y749 HydrophobicContact CD2-CD1 4.16Å; L704-Y749 HydrophobicContact CD2-CD2 3.81Å; L704-Y749 HydrophobicContact CD2-CE1 4.16Å; L704-Y749 HydrophobicContact CD2-CE2 3.83Å; L704-Y749 HydrophobicContact CD2-CG 3.99Å; L704-L759 HydrophobicContact CD2-CD1 3.89Å; L704-L759 HydrophobicContact CG-CD1 3.86Å |
| 705 | C | 90.9 | Very high | 76.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.3 | -179.6 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | A684 I685 S718 | A684-C705 CarbonylContact C-O 3.55Å; A684-C705 WeakPolarHBondContact CA-O 3.34Å; I685-C705 HydrophobicContact CB-CB 4.47Å; I685-C705 PolarHBondContact N-O 3.27Å; I685-C705 PolarHBondContact O-N 2.78Å; C705-S718 CarbonylContact C-O 3.37Å; C705-S718 WeakPolarHBondContact CA-O 3.35Å |
| 706 | L | 90.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.4 | 168.1 | -174 | 69 | 0 | 0 | 0 | 108.7 | V669 Y682 L683 M717 S718 V751 I757 L759 | V669-L706 HydrophobicContact CG2-CD1 4.21Å; Y682-L706 HydrophobicContact CD1-CD1 4.41Å; Y682-L706 HydrophobicContact CD1-CD2 4.29Å; Y682-L706 HydrophobicContact CD1-CG 4.29Å; L683-L706 WeakPolarHBondContact O-CA 3.26Å; L706-M717 HydrophobicContact CD2-CB 4.27Å; L706-M717 HydrophobicContact CG-CB 4.42Å; L706-M717 PolarHBondContact O-N 2.8Å; L706-S718 PolarHBondContact N-O 3.31Å; L706-S718 PolarHBondContact O-N 2.79Å; L706-V751 HydrophobicContact CD1-CG1 4.47Å; L706-V751 HydrophobicContact CD1-CG2 3.83Å; L706-V751 HydrophobicContact CD2-CB 4.5Å; L706-V751 HydrophobicContact CD2-CG1 3.61Å; L706-V751 HydrophobicContact CD2-CG2 4.16Å; L706-I757 HydrophobicContact CD2-CG2 3.61Å; L706-L759 HydrophobicContact CB-CD1 3.8Å; L706-L759 HydrophobicContact CB-CG 3.95Å; L706-L759 HydrophobicContact CD1-CD2 4.41Å; L706-L759 HydrophobicContact CD2-CD2 4.5Å; L706-L759 HydrophobicContact CD2-CG 4.28Å |
| 707 | V | 88.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.1 | -179.7 | 178 | 0 | 0 | 0 | 0 | 109 | L625 Y682 L683 I685 I714 E715 | L625-V707 HydrophobicContact CD1-CG1 4.1Å; L625-V707 HydrophobicContact CD1-CG2 4.09Å; Y682-V707 CarbonylContact C-O 3.6Å; Y682-V707 WeakPolarHBondContact CA-O 3.19Å; L683-V707 PolarHBondContact N-O 3.3Å; L683-V707 PolarHBondContact O-N 2.97Å; I685-V707 HydrophobicContact CD1-CB 4.35Å; I685-V707 HydrophobicContact CD1-CG2 3.78Å; V707-I714 HydrophobicContact CG1-CG2 3.3Å; V707-E715 CarbonylContact C-O 3.55Å; V707-E715 WeakPolarHBondContact CA-O 3.2Å; V707-E715 WeakPolarHBondContact CG1-O 3.29Å |
| 708 | K | 86.8 | Confident | 82.4 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 11% | 0.109 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.4 | 170.7 | -175.6 | 177.5 | -178.6 | 175.2 | 0 | 108.2 | D675 A680 Y682 I714 E715 M717 | D675-K708 IonicContact OD2-NZ 2.77Å; D675-K708 PolarHBondContact OD2-NZ 2.97Å; A680-K708 HydrophobicContact CB-CD 4.19Å; A680-K708 HydrophobicContact CB-CG 3.92Å; Y682-K708 HydrophobicContact CD1-CB 4.11Å; Y682-K708 HydrophobicContact CD1-CG 4.41Å; Y682-K708 HydrophobicContact CE1-CB 3.84Å; Y682-K708 HydrophobicContact CE1-CD 4.09Å; Y682-K708 HydrophobicContact CE1-CG 3.86Å; K708-I714 WeakPolarHBondContact O-CA 3.35Å; K708-E715 PolarHBondContact N-O 3.36Å; K708-E715 PolarHBondContact O-N 3.32Å; K708-M717 HydrophobicContact CB-CG 3.58Å; K708-M717 HydrophobicContact CB-SD 3.8Å; K708-M717 HydrophobicContact CD-SD 3.85Å; K708-M717 HydrophobicContact CG-SD 4.45Å |
| 709 | C | 83.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.6 | 176.1 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | F602 R681 L683 S713 | F602-C709 HydrophobicContact CE2-CB 4.05Å; F602-C709 HydrophobicContact CZ-CB 3.79Å; R681-C709 PolarHBondContact N-O 2.98Å; R681-C709 PolarHBondContact O-N 3.43Å; L683-C709 HydrophobicContact CD1-CB 3.98Å; L683-C709 WeakPolarHBondContact CD1-SG 3.45Å; C709-S713 WeakPolarHBondContact CA-O 3.48Å |
| 710 | T | 78.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | trans | -108.7 | -173.5 | 167.1 | 70.3 | 0 | 0 | 0 | 0 | 108.9 | L627 A680 S712 S713 | L627-T710 WeakPolarHBondContact CD2-O 3.36Å; A680-T710 HydrophobicContact CB-CG2 4.25Å; T710-S712 PolarHBondContact O-N 3.14Å; T710-S712 PolarHBondContact OG1-N 3.02Å; T710-S713 PolarHBondContact N-O 3.37Å; T710-S713 WeakPolarHBondContact OG1-CB 3.16Å; T710-S713 PolarHBondContact OG1-N 3.1Å; T710-S713 PolarHBondContact OG1-OG 3.48Å | ||
| 711 | S | 72.7 | Confident | 85.8 | Confident | 28 Ų | 28 | 26.6 Ų | 26.6 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -67.6 | -18.8 | 179.4 | 52.1 | 0 | 0 | 0 | 0 | 113 | ||
| 712 | S | 75.7 | Confident | 86 | Confident | 78 Ų | 78 | 32 Ų | 32 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -140.3 | 3.9 | -173.2 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | T710 | T710-S712 PolarHBondContact O-N 3.14Å; T710-S712 PolarHBondContact OG1-N 3.02Å |
| 713 | S | 83.2 | Confident | 86.1 | Confident | 35 Ų | 35 | 32.2 Ų | 32.2 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | trans | -139 | 150.1 | 177.3 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | C709 T710 | C709-S713 WeakPolarHBondContact CA-O 3.48Å; T710-S713 PolarHBondContact N-O 3.37Å; T710-S713 WeakPolarHBondContact OG1-CB 3.16Å; T710-S713 PolarHBondContact OG1-N 3.1Å; T710-S713 PolarHBondContact OG1-OG 3.48Å | ||
| 714 | I | 85.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.9 | 171 | -52.2 | 170.5 | 0 | 0 | 0 | 107.1 | L618 L625 L627 A643 I645 V707 K708 | L618-I714 HydrophobicContact CD1-CD1 4.08Å; L625-I714 HydrophobicContact CB-CD1 4.24Å; L625-I714 HydrophobicContact CD1-CG2 4.24Å; L627-I714 HydrophobicContact CB-CD1 3.83Å; L627-I714 HydrophobicContact CB-CG1 4.18Å; A643-I714 HydrophobicContact CB-CD1 4.09Å; A643-I714 HydrophobicContact CB-CG1 3.8Å; I645-I714 HydrophobicContact CB-CB 4.37Å; I645-I714 HydrophobicContact CB-CG2 4.44Å; I645-I714 HydrophobicContact CG2-CB 3.79Å; I645-I714 HydrophobicContact CG2-CD1 4.28Å; I645-I714 HydrophobicContact CG2-CG2 3.4Å; I645-I714 VanDerWaalsContact CG2-CG2 3.4Å; V707-I714 HydrophobicContact CG1-CG2 3.3Å; K708-I714 WeakPolarHBondContact O-CA 3.35Å |
| 715 | E | 86.7 | Confident | 86 | Confident | 99 Ų | 99 | 33.9 Ų | 33.9 | 46% | 0.463 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.1 | -176.3 | -68.4 | 179.3 | -166.8 | 0 | 0 | 111.1 | V707 K708 M717 | V707-E715 CarbonylContact C-O 3.55Å; V707-E715 WeakPolarHBondContact CA-O 3.2Å; V707-E715 WeakPolarHBondContact CG1-O 3.29Å; K708-E715 PolarHBondContact N-O 3.36Å; K708-E715 PolarHBondContact O-N 3.32Å; E715-M717 HydrophobicContact CB-CE 4.4Å |
| 716 | M | 87.3 | Confident | 85.9 | Confident | 34 Ų | 34 | 34.9 Ų | 34.9 | 17% | 0.167 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.4 | 174.1 | -172.5 | -179.8 | -71.7 | 0 | 0 | 109.5 | L647 N650 V719 | L647-M716 HydrophobicContact CB-CE 3.84Å; L647-M716 HydrophobicContact CD1-CE 4.25Å; L647-M716 HydrophobicContact CD2-CE 3.35Å; L647-M716 HydrophobicContact CG-CE 3.97Å; N650-M716 HydrophobicContact CB-CE 3.6Å; N650-M716 HydrophobicContact CB-SD 3.36Å; N650-M716 WeakPolarHBondContact CB-SD 3.39Å; M716-V719 HydrophobicContact CG-CG2 4.01Å; M716-V719 HydrophobicContact SD-CG2 3.24Å; M716-V719 WeakPolarHBondContact SD-CG2 3.36Å |
| 717 | M | 87.5 | Confident | 86 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -44 | -174 | -62.2 | -87.6 | 75.8 | 0 | 0 | 112.6 | Y682 L706 K708 E715 I757 | Y682-M717 HydrophobicContact CE1-CG 4.34Å; L706-M717 HydrophobicContact CD2-CB 4.27Å; L706-M717 HydrophobicContact CG-CB 4.42Å; L706-M717 PolarHBondContact O-N 2.8Å; K708-M717 HydrophobicContact CB-CG 3.58Å; K708-M717 HydrophobicContact CB-SD 3.8Å; K708-M717 HydrophobicContact CD-SD 3.85Å; K708-M717 HydrophobicContact CG-SD 4.45Å; E715-M717 HydrophobicContact CB-CE 4.4Å; M717-I757 HydrophobicContact CB-CG2 4.16Å; M717-I757 HydrophobicContact CG-CG2 4.42Å; M717-I757 HydrophobicContact SD-CB 4.29Å; M717-I757 HydrophobicContact SD-CD1 3.69Å; M717-I757 HydrophobicContact SD-CG2 4.49Å |
| 718 | S | 89.2 | Confident | 86.1 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 144.5 | -172.9 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | C705 L706 L759 | C705-S718 CarbonylContact C-O 3.37Å; C705-S718 WeakPolarHBondContact CA-O 3.35Å; L706-S718 PolarHBondContact N-O 3.31Å; L706-S718 PolarHBondContact O-N 2.79Å; S718-L759 PolarHBondContact OG-N 3Å |
| 719 | V | 89.1 | Confident | 86.3 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | L651 L654 A703 M716 | L651-V719 HydrophobicContact CD2-CG1 4.23Å; L654-V719 HydrophobicContact CD1-CB 4.39Å; L654-V719 HydrophobicContact CD1-CG1 3.45Å; L654-V719 VanDerWaalsContact CD1-CG1 3.45Å; A703-V719 HydrophobicContact CB-CG1 4.26Å; M716-V719 HydrophobicContact CG-CG2 4.01Å; M716-V719 HydrophobicContact SD-CG2 3.24Å; M716-V719 WeakPolarHBondContact SD-CG2 3.36Å |
| 720 | V | 90.1 | Very high | 86.6 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.2 | 173.9 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | A703 L704 V723 Y749 L759 | A703-V720 CarbonylContact C-O 3.55Å; A703-V720 WeakPolarHBondContact CA-O 3.47Å; A703-V720 WeakPolarHBondContact CB-O 3.45Å; L704-V720 HydrophobicContact CB-CB 4.37Å; L704-V720 PolarHBondContact N-O 3.08Å; L704-V720 PolarHBondContact O-N 3.09Å; V720-V723 HydrophobicContact CB-CG2 4.1Å; V720-V723 HydrophobicContact CG1-CG2 3.69Å; V720-Y749 HydrophobicContact CG1-CE1 4.22Å; V720-Y749 HydrophobicContact CG2-CE1 4.25Å; V720-L759 HydrophobicContact CG2-CB 3.86Å; V720-L759 HydrophobicContact CG2-CD1 4.21Å |
| 721 | S | 87.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 37.1 Ų | 37.1 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 168.8 | 177.8 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | V723 | S721-V723 PolarHBondContact O-N 2.8Å; S721-V723 VanDerWaalsContact O-N 3.15Å |
| 722 | D | 84 | Confident | 87.4 | Confident | 132 Ų | 132 | 38.9 Ų | 38.9 | 71% | 0.706 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 59.6 | 22.1 | 175.9 | -57.1 | -39.7 | 0 | 0 | 0 | 115.9 | G702 S724 | G702-D722 CarbonylContact O-C 3.57Å; G702-D722 WeakPolarHBondContact O-CA 3.19Å; G702-D722 PolarHBondContact O-N 2.84Å; D722-S724 PolarHBondContact O-N 3.45Å |
| 723 | V | 88.9 | Confident | 87.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | trans | -91.1 | 90.8 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | G702 A703 L704 V720 S721 A725 V739 L741 | G702-V723 CarbonylContact C-O 3.55Å; G702-V723 VanDerWaalsContact CA-O 3.28Å; G702-V723 WeakPolarHBondContact CA-O 3.36Å; G702-V723 PolarHBondContact O-N 3.28Å; A703-V723 PolarHBondContact N-O 3.48Å; L704-V723 HydrophobicContact CB-CB 4.16Å; L704-V723 HydrophobicContact CB-CG1 4.16Å; L704-V723 HydrophobicContact CB-CG2 4.05Å; V720-V723 HydrophobicContact CB-CG2 4.1Å; V720-V723 HydrophobicContact CG1-CG2 3.69Å; S721-V723 PolarHBondContact O-N 2.8Å; S721-V723 VanDerWaalsContact O-N 3.15Å; V723-A725 VanDerWaalsContact C-N 3.3Å; V723-A725 HydrophobicContact CG1-CB 4.47Å; V723-A725 PolarHBondContact O-N 3.49Å; V723-V739 HydrophobicContact CG1-CG1 3.97Å; V723-L741 HydrophobicContact CG1-CD2 3.78Å | ||
| 724 | S | 89 | Confident | 87.7 | Confident | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 23% | 0.227 | C | C | . | . | trans | -80 | 75.6 | 172.8 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | D722 L741 K742 | D722-S724 PolarHBondContact O-N 3.45Å; S724-L741 WeakPolarHBondContact O-CA 3.37Å; S724-K742 PolarHBondContact O-N 3.17Å | ||
| 725 | A | 90.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 141.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T686 V723 V739 G740 | T686-A725 HydrophobicContact CG2-CB 3.52Å; V723-A725 VanDerWaalsContact C-N 3.3Å; V723-A725 HydrophobicContact CG1-CB 4.47Å; V723-A725 PolarHBondContact O-N 3.49Å; A725-V739 HydrophobicContact CB-CG1 3.6Å; A725-G740 CarbonylContact C-O 3.56Å; A725-G740 VanDerWaalsContact CA-O 3.3Å; A725-G740 WeakPolarHBondContact CA-O 3.38Å |
| 726 | T | 89.8 | Confident | 88.1 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -32.4 | 171.3 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | K665 G740 K742 M793 F794 | K665-T726 WeakPolarHBondContact CE-O 3.45Å; T726-G740 PolarHBondContact N-O 2.98Å; T726-G740 VanDerWaalsContact OG1-C 3.29Å; T726-G740 PolarHBondContact OG1-O 3.3Å; T726-K742 HydrophobicContact CG2-CB 4.31Å; T726-K742 HydrophobicContact CG2-CG 3.67Å; T726-M793 HydrophobicContact CG2-CE 4.08Å; T726-M793 HydrophobicContact CG2-CG 3.8Å; T726-M793 HydrophobicContact CG2-SD 3.6Å; T726-M793 VanDerWaalsContact CG2-SD 3.6Å; T726-F794 WeakPolarHBondContact CB-O 3.42Å; T726-F794 PolarHBondContact OG1-O 2.85Å |
| 727 | C | 91.3 | Very high | 88.3 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.3 | 173.9 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | V739 G740 F794 V795 L797 | C727-V739 WeakPolarHBondContact O-CA 3.46Å; C727-G740 PolarHBondContact O-N 3.28Å; C727-F794 PolarHBondContact SG-O 3.27Å; C727-V795 WeakPolarHBondContact CB-O 3.03Å; C727-L797 VanDerWaalsContact SG-CG 3.6Å |
| 728 | L | 92 | Very high | 88.6 | Confident | 25 Ų | 25 | 30.8 Ų | 30.8 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 134.2 | -178.7 | 173.3 | 69.5 | 0 | 0 | 0 | 108 | K665 A667 A684 T686 L704 L737 A738 V739 | K665-L728 HydrophobicContact CB-CB 4.19Å; K665-L728 HydrophobicContact CB-CD2 4.36Å; K665-L728 HydrophobicContact CD-CB 4.38Å; A667-L728 HydrophobicContact CB-CD2 3.81Å; A667-L728 HydrophobicContact CB-CG 3.87Å; A684-L728 HydrophobicContact CB-CD1 4.47Å; A684-L728 HydrophobicContact CB-CD2 4.27Å; A684-L728 WeakPolarHBondContact O-CD2 3.03Å; T686-L728 HydrophobicContact CG2-CB 4.42Å; T686-L728 HydrophobicContact CG2-CD2 4.2Å; L704-L728 HydrophobicContact CD1-CD1 4.33Å; L728-L737 HydrophobicContact CD1-CD2 4.45Å; L728-A738 WeakPolarHBondContact CA-O 3.42Å; L728-V739 HydrophobicContact CD1-CG2 3.75Å |
| 729 | T | 91 | Very high | 88.9 | Confident | 24 Ų | 24 | 30 Ų | 30 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.6 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | L737 A738 L797 F799 L813 | T729-L737 WeakPolarHBondContact O-CA 3.43Å; T729-A738 HydrophobicContact CG2-CB 3.84Å; T729-A738 PolarHBondContact N-O 3.07Å; T729-A738 PolarHBondContact O-N 2.9Å; T729-L797 VanDerWaalsContact CB-O 3.28Å; T729-L797 WeakPolarHBondContact CB-O 3.23Å; T729-L797 HydrophobicContact CG2-CB 3.57Å; T729-L797 WeakPolarHBondContact CG2-O 3.17Å; T729-L797 PolarHBondContact OG1-O 2.96Å; T729-F799 HydrophobicContact CG2-CD2 3.8Å; T729-F799 HydrophobicContact CG2-CE2 3.91Å; T729-L813 HydrophobicContact CG2-CD1 4.27Å |
| 730 | S | 90.2 | Very high | 89.1 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 149.1 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 111 | L668 W736 F799 | L668-S730 WeakPolarHBondContact O-CB 3.3Å; L668-S730 PolarHBondContact O-OG 3.4Å; S730-W736 WeakPolarHBondContact CA-O 3.39Å; S730-F799 VanDerWaalsContact C-CD2 3.43Å; S730-F799 WeakPolarHBondContact O-CD2 3.48Å |
| 731 | H | 88.4 | Confident | 89.2 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -71.6 | 140.5 | 174.3 | -171.1 | -83.8 | 0 | 0 | 0 | 109.6 | S670 S733 K734 W736 F799 | S670-H731 WeakPolarHBondContact CB-O 3.21Å; S670-H731 PolarHBondContact OG-O 2.82Å; H731-S733 VanDerWaalsContact C-N 3.32Å; H731-S733 PolarHBondContact CE1-OG 2.75Å; H731-S733 PolarHBondContact ND1-N 2.96Å; H731-S733 PolarHBondContact ND1-OG 2.93Å; H731-S733 PolarHBondContact O-N 3.35Å; H731-K734 HydrophobicContact CB-CB 4.22Å; H731-K734 WeakPolarHBondContact ND1-CB 3.34Å; H731-K734 PolarHBondContact ND1-N 3.43Å; H731-W736 HydrophobicContact CB-CB 3.88Å; H731-W736 PolarHBondContact N-O 3.04Å; H731-F799 HydrophobicContact CB-CD1 4.37Å; H731-F799 HydrophobicContact CB-CD2 3.98Å; H731-F799 HydrophobicContact CB-CE2 4.11Å; H731-F799 HydrophobicContact CB-CG 4.08Å; H731-F799 HydrophobicContact CB-CZ 4.36Å; H731-F799 AromaticContact CD2-CD1 3.54Å; H731-F799 AromaticContact CD2-CG 3.76Å | ||
| 732 | P | 79.6 | Confident | 89.3 | Confident | 65 Ų | 65 | 27.6 Ų | 27.6 | 42% | 0.422 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -67.6 | -23.6 | -173.9 | 23.8 | -34.9 | 0 | 0 | 0 | 115.2 | S670 P801 | S670-P732 VanDerWaalsContact CB-C 3.45Å; S670-P732 VanDerWaalsContact CB-O 3.25Å; S670-P732 WeakPolarHBondContact CB-O 3.47Å; S670-P732 VanDerWaalsContact OG-C 3.24Å; S670-P732 PolarHBondContact OG-O 2.95Å; S670-P732 VanDerWaalsContact OG-O 3.07Å; P732-P801 HydrophobicContact CG-CB 3.83Å; P732-P801 HydrophobicContact CG-CG 4.36Å |
| 733 | S | 79.4 | Confident | 89.4 | Confident | 79 Ų | 79 | 24.5 Ų | 24.5 | 55% | 0.552 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -130.7 | -11.4 | -177.4 | 60.5 | 0 | 0 | 0 | 0 | 115.8 | H731 | H731-S733 VanDerWaalsContact C-N 3.32Å; H731-S733 PolarHBondContact CE1-OG 2.75Å; H731-S733 PolarHBondContact ND1-N 2.96Å; H731-S733 PolarHBondContact ND1-OG 2.93Å; H731-S733 PolarHBondContact O-N 3.35Å |
| 734 | K | 85.3 | Confident | 89.3 | Confident | 37 Ų | 37 | 24.2 Ų | 24.2 | 16% | 0.161 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -114 | 151.4 | -174.7 | -67 | -176.8 | 176.6 | -178.3 | 0 | 108.2 | H731 W736 D808 | H731-K734 HydrophobicContact CB-CB 4.22Å; H731-K734 WeakPolarHBondContact ND1-CB 3.34Å; H731-K734 PolarHBondContact ND1-N 3.43Å; K734-W736 HydrophobicContact CB-CB 4.46Å; K734-W736 HydrophobicContact CB-CD2 4.09Å; K734-W736 HydrophobicContact CB-CG 4.05Å; K734-W736 HydrophobicContact CD-CD2 4.09Å; K734-W736 HydrophobicContact CD-CE3 4Å; K734-W736 HydrophobicContact CD-CH2 3.91Å; K734-W736 HydrophobicContact CD-CZ2 3.98Å; K734-W736 HydrophobicContact CD-CZ3 3.91Å; K734-W736 PolarHBondContact O-N 3Å; K734-D808 PolarHBondContact NZ-O 2.89Å |
| 735 | P | 88.1 | Confident | 89.5 | Confident | 30 Ų | 30 | 23.9 Ų | 23.9 | 20% | 0.195 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -74 | 45.8 | 176.6 | 32.1 | -36.3 | 0 | 0 | 0 | 112.3 | V669 H671 V751 L753 | V669-P735 HydrophobicContact CG1-CB 4.2Å; H671-P735 HydrophobicContact CB-CB 4.16Å; P735-V751 HydrophobicContact CB-CB 4.22Å; P735-V751 PolarHBondContact O-N 2.82Å; P735-L753 HydrophobicContact CB-CD1 4.16Å; P735-L753 HydrophobicContact CG-CD1 4.33Å |
| 736 | W | 91 | Very high | 89.6 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146 | -174.7 | -67.4 | -2.9 | 0 | 0 | 0 | 111.8 | S730 H731 K734 Y749 E750 I762 F799 D808 V811 | S730-W736 WeakPolarHBondContact CA-O 3.39Å; H731-W736 HydrophobicContact CB-CB 3.88Å; H731-W736 PolarHBondContact N-O 3.04Å; K734-W736 HydrophobicContact CB-CB 4.46Å; K734-W736 HydrophobicContact CB-CD2 4.09Å; K734-W736 HydrophobicContact CB-CG 4.05Å; K734-W736 HydrophobicContact CD-CD2 4.09Å; K734-W736 HydrophobicContact CD-CE3 4Å; K734-W736 HydrophobicContact CD-CH2 3.91Å; K734-W736 HydrophobicContact CD-CZ2 3.98Å; K734-W736 HydrophobicContact CD-CZ3 3.91Å; K734-W736 PolarHBondContact O-N 3Å; W736-Y749 CarbonylContact C-O 3.59Å; W736-Y749 VanDerWaalsContact CA-O 3.3Å; W736-Y749 WeakPolarHBondContact CA-O 3.36Å; W736-E750 PolarHBondContact NE1-OE1 2.87Å; W736-I762 HydrophobicContact CD2-CD1 4.23Å; W736-I762 HydrophobicContact CG-CD1 4.22Å; W736-I762 HydrophobicContact CZ2-CD1 4.29Å; W736-F799 HydrophobicContact CB-CZ 4.48Å; W736-D808 WeakPolarHBondContact CH2-O 2.99Å; W736-D808 VanDerWaalsContact CZ2-O 3.28Å; W736-D808 WeakPolarHBondContact CZ2-O 3.29Å; W736-V811 HydrophobicContact CH2-CG2 4.44Å; W736-V811 HydrophobicContact CZ3-CG2 3.87Å |
| 737 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131.2 | 179.7 | -65.2 | 163.6 | 0 | 0 | 0 | 109.1 | V669 A684 L728 T729 I748 Y749 V751 L759 | V669-L737 HydrophobicContact CG2-CD1 4.23Å; V669-L737 HydrophobicContact CG2-CD2 3.98Å; V669-L737 HydrophobicContact CG2-CG 4.31Å; A684-L737 HydrophobicContact CB-CD1 3.4Å; A684-L737 VanDerWaalsContact CB-CD1 3.4Å; A684-L737 HydrophobicContact CB-CD2 3.48Å; A684-L737 VanDerWaalsContact CB-CD2 3.48Å; A684-L737 HydrophobicContact CB-CG 4.05Å; L728-L737 HydrophobicContact CD1-CD2 4.45Å; T729-L737 WeakPolarHBondContact O-CA 3.43Å; L737-I748 CarbonylContact O-C 3.6Å; L737-I748 VanDerWaalsContact O-CA 3.23Å; L737-I748 WeakPolarHBondContact O-CA 3.45Å; L737-Y749 PolarHBondContact N-O 2.92Å; L737-Y749 PolarHBondContact O-N 3.46Å; L737-V751 HydrophobicContact CD1-CG2 4.22Å; L737-L759 HydrophobicContact CD1-CD2 3.66Å |
| 738 | A | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L728 T729 V746 I748 L797 F799 L813 | L728-A738 WeakPolarHBondContact CA-O 3.42Å; T729-A738 HydrophobicContact CG2-CB 3.84Å; T729-A738 PolarHBondContact N-O 3.07Å; T729-A738 PolarHBondContact O-N 2.9Å; A738-V746 HydrophobicContact CB-CG1 4.21Å; A738-I748 HydrophobicContact CB-CG1 4.42Å; A738-L797 HydrophobicContact CB-CD1 4.22Å; A738-F799 HydrophobicContact CB-CD2 4.48Å; A738-F799 HydrophobicContact CB-CE1 4.37Å; A738-F799 HydrophobicContact CB-CE2 3.51Å; A738-F799 HydrophobicContact CB-CZ 3.46Å; A738-F799 VanDerWaalsContact CB-CZ 3.46Å; A738-L813 HydrophobicContact CB-CD1 3.92Å; A738-L813 HydrophobicContact CB-CD2 3.91Å |
| 739 | V | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.9 | -179 | -172.4 | 0 | 0 | 0 | 0 | 109 | L704 V723 A725 C727 L728 L741 V746 A747 Y749 | L704-V739 HydrophobicContact CD1-CG2 4.48Å; L704-V739 HydrophobicContact CD2-CG2 4.07Å; V723-V739 HydrophobicContact CG1-CG1 3.97Å; A725-V739 HydrophobicContact CB-CG1 3.6Å; C727-V739 WeakPolarHBondContact O-CA 3.46Å; L728-V739 HydrophobicContact CD1-CG2 3.75Å; V739-L741 HydrophobicContact CG1-CD2 3.93Å; V739-V746 CarbonylContact O-C 3.59Å; V739-V746 WeakPolarHBondContact O-CA 3.41Å; V739-A747 PolarHBondContact N-O 3Å; V739-A747 PolarHBondContact O-N 2.85Å; V739-Y749 HydrophobicContact CB-CE2 4.3Å; V739-Y749 HydrophobicContact CG2-CD2 3.92Å; V739-Y749 HydrophobicContact CG2-CE2 3.92Å |
| 740 | G | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A725 T726 C727 L797 | A725-G740 CarbonylContact C-O 3.56Å; A725-G740 VanDerWaalsContact CA-O 3.3Å; A725-G740 WeakPolarHBondContact CA-O 3.38Å; T726-G740 PolarHBondContact N-O 2.98Å; T726-G740 VanDerWaalsContact OG1-C 3.29Å; T726-G740 PolarHBondContact OG1-O 3.3Å; C727-G740 PolarHBondContact O-N 3.28Å; G740-L797 VanDerWaalsContact N-CD1 3.31Å |
| 741 | L | 92.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 21.9 Ų | 21.9 | 14% | 0.136 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 153.6 | -176.6 | -60.4 | 178.8 | 0 | 0 | 0 | 111.2 | V723 S724 V739 N743 G744 T745 A747 | V723-L741 HydrophobicContact CG1-CD2 3.78Å; S724-L741 WeakPolarHBondContact O-CA 3.37Å; V739-L741 HydrophobicContact CG1-CD2 3.93Å; L741-N743 VanDerWaalsContact CB-OD1 3.28Å; L741-N743 WeakPolarHBondContact CB-OD1 3.14Å; L741-N743 PolarHBondContact O-N 3.48Å; L741-N743 VanDerWaalsContact O-N 3.1Å; L741-G744 WeakPolarHBondContact O-CA 3.46Å; L741-G744 PolarHBondContact O-N 3.04Å; L741-T745 WeakPolarHBondContact CB-O 3.48Å; L741-T745 PolarHBondContact N-O 2.88Å; L741-A747 HydrophobicContact CD1-CB 4.12Å |
| 742 | K | 88.2 | Confident | 89.6 | Confident | 61 Ų | 61 | 25.4 Ų | 25.4 | 27% | 0.265 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.5 | 178.8 | -77.2 | -172.6 | -171.7 | 173.4 | 0 | 115 | S700 S724 T726 G744 M793 | S700-K742 PolarHBondContact OG-NZ 2.95Å; S724-K742 PolarHBondContact O-N 3.17Å; T726-K742 HydrophobicContact CG2-CB 4.31Å; T726-K742 HydrophobicContact CG2-CG 3.67Å; K742-G744 PolarHBondContact O-N 3.05Å; K742-M793 HydrophobicContact CB-CE 4.38Å; K742-M793 HydrophobicContact CG-CE 4.39Å |
| 743 | N | 86.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 24.6 Ų | 24.6 | 35% | 0.353 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4 | 173.9 | 66.9 | 2.9 | 0 | 0 | 0 | 112.9 | L741 T745 N767 | L741-N743 VanDerWaalsContact CB-OD1 3.28Å; L741-N743 WeakPolarHBondContact CB-OD1 3.14Å; L741-N743 PolarHBondContact O-N 3.48Å; L741-N743 VanDerWaalsContact O-N 3.1Å; N743-T745 PolarHBondContact ND2-OG1 3.03Å; N743-T745 WeakPolarHBondContact OD1-CB 3.29Å; N743-T745 PolarHBondContact OD1-N 3.21Å; N743-T745 PolarHBondContact OD1-OG1 3.16Å; N743-N767 PolarHBondContact O-ND2 3.24Å |
| 744 | G | 87 | Confident | 88.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 84.2 | 3.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L741 K742 N767 F794 | L741-G744 WeakPolarHBondContact O-CA 3.46Å; L741-G744 PolarHBondContact O-N 3.04Å; K742-G744 PolarHBondContact O-N 3.05Å; G744-N767 VanDerWaalsContact C-CG 3.45Å; G744-N767 WeakPolarHBondContact CA-ND2 3.21Å; G744-N767 WeakPolarHBondContact O-CA 3.48Å; G744-N767 WeakPolarHBondContact O-CB 3.27Å; G744-N767 VanDerWaalsContact O-CG 3.24Å; G744-N767 PolarHBondContact O-OD1 2.81Å; G744-F794 WeakPolarHBondContact O-CD2 3.42Å |
| 745 | T | 91.8 | Very high | 88 | Confident | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | trans | -81.6 | 161.8 | 170.3 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | L741 N743 L765 N767 | L741-T745 WeakPolarHBondContact CB-O 3.48Å; L741-T745 PolarHBondContact N-O 2.88Å; N743-T745 PolarHBondContact ND2-OG1 3.03Å; N743-T745 WeakPolarHBondContact OD1-CB 3.29Å; N743-T745 PolarHBondContact OD1-N 3.21Å; N743-T745 PolarHBondContact OD1-OG1 3.16Å; T745-L765 WeakPolarHBondContact CA-O 3.49Å; T745-L765 WeakPolarHBondContact CB-O 3.3Å; T745-N767 HydrophobicContact CG2-CB 4Å | ||
| 746 | V | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.4 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | A738 V739 S764 L765 F794 L797 L813 | A738-V746 HydrophobicContact CB-CG1 4.21Å; V739-V746 CarbonylContact O-C 3.59Å; V739-V746 WeakPolarHBondContact O-CA 3.41Å; V746-S764 CarbonylContact O-C 3.58Å; V746-L765 HydrophobicContact CB-CB 4.1Å; V746-L765 HydrophobicContact CB-CD1 4.19Å; V746-L765 HydrophobicContact CB-CG 4.5Å; V746-L765 HydrophobicContact CG1-CD1 4.27Å; V746-L765 PolarHBondContact N-O 2.84Å; V746-L765 PolarHBondContact O-N 2.79Å; V746-F794 HydrophobicContact CG2-CD2 3.47Å; V746-F794 VanDerWaalsContact CG2-CD2 3.47Å; V746-F794 HydrophobicContact CG2-CE2 3.71Å; V746-F794 HydrophobicContact CG2-CG 4.03Å; V746-F794 HydrophobicContact CG2-CZ 4.43Å; V746-L797 HydrophobicContact CG1-CD1 3.71Å; V746-L797 HydrophobicContact CG1-CD2 4.48Å; V746-L797 HydrophobicContact CG2-CD1 4.18Å; V746-L797 HydrophobicContact CG2-CD2 4.04Å; V746-L813 HydrophobicContact CG1-CD2 3.82Å |
| 747 | A | 94.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | V739 L741 Y749 | V739-A747 PolarHBondContact N-O 3Å; V739-A747 PolarHBondContact O-N 2.85Å; L741-A747 HydrophobicContact CD1-CB 4.12Å; A747-Y749 HydrophobicContact CB-CD2 4.32Å; A747-Y749 HydrophobicContact CB-CE2 3.61Å |
| 748 | I | 93.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.1 | 176.2 | -57.5 | 180 | 0 | 0 | 0 | 108.2 | L737 A738 I761 I762 H763 L765 V811 | L737-I748 CarbonylContact O-C 3.6Å; L737-I748 VanDerWaalsContact O-CA 3.23Å; L737-I748 WeakPolarHBondContact O-CA 3.45Å; A738-I748 HydrophobicContact CB-CG1 4.42Å; I748-I761 CarbonylContact O-C 3.48Å; I748-I761 WeakPolarHBondContact O-CA 3.43Å; I748-I762 HydrophobicContact CG2-CD1 4.46Å; I748-I762 PolarHBondContact O-N 3.43Å; I748-H763 HydrophobicContact CB-CB 4.13Å; I748-H763 HydrophobicContact CD1-CB 4.21Å; I748-H763 HydrophobicContact CG1-CB 4.43Å; I748-H763 PolarHBondContact N-O 2.8Å; I748-H763 PolarHBondContact O-N 3.12Å; I748-L765 HydrophobicContact CD1-CD1 3.92Å; I748-L765 HydrophobicContact CD1-CG 4.23Å; I748-L765 HydrophobicContact CG1-CD1 4.48Å; I748-V811 HydrophobicContact CD1-CB 4.22Å; I748-V811 HydrophobicContact CD1-CG1 3.41Å; I748-V811 VanDerWaalsContact CD1-CG1 3.41Å; I748-V811 HydrophobicContact CD1-CG2 3.83Å |
| 749 | Y | 93 | Very high | 86.6 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141 | 177.8 | -64.4 | -101.4 | 0 | 0 | 0 | 110.5 | L704 V720 W736 L737 V739 A747 L759 N760 I761 | L704-Y749 HydrophobicContact CD2-CD1 4.16Å; L704-Y749 HydrophobicContact CD2-CD2 3.81Å; L704-Y749 HydrophobicContact CD2-CE1 4.16Å; L704-Y749 HydrophobicContact CD2-CE2 3.83Å; L704-Y749 HydrophobicContact CD2-CG 3.99Å; V720-Y749 HydrophobicContact CG1-CE1 4.22Å; V720-Y749 HydrophobicContact CG2-CE1 4.25Å; W736-Y749 CarbonylContact C-O 3.59Å; W736-Y749 VanDerWaalsContact CA-O 3.3Å; W736-Y749 WeakPolarHBondContact CA-O 3.36Å; L737-Y749 PolarHBondContact N-O 2.92Å; L737-Y749 PolarHBondContact O-N 3.46Å; V739-Y749 HydrophobicContact CB-CE2 4.3Å; V739-Y749 HydrophobicContact CG2-CD2 3.92Å; V739-Y749 HydrophobicContact CG2-CE2 3.92Å; A747-Y749 HydrophobicContact CB-CD2 4.32Å; A747-Y749 HydrophobicContact CB-CE2 3.61Å; Y749-L759 HydrophobicContact CD1-CB 4.22Å; Y749-N760 CarbonylContact C-O 3.58Å; Y749-N760 WeakPolarHBondContact CA-O 3.14Å; Y749-I761 HydrophobicContact CD1-CG1 3.59Å; Y749-I761 HydrophobicContact CE1-CB 4.47Å; Y749-I761 HydrophobicContact CE1-CD1 3.82Å; Y749-I761 HydrophobicContact CE1-CG1 3.16Å; Y749-I761 HydrophobicContact CE2-CG1 4.28Å; Y749-I761 HydrophobicContact CG-CG1 4.31Å |
| 750 | E | 90.8 | Very high | 86.3 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.7 | 162.8 | -157.7 | 150.5 | -133.1 | 0 | 0 | 109.5 | W736 Q752 L759 N760 I762 | W736-E750 PolarHBondContact NE1-OE1 2.87Å; E750-Q752 PolarHBondContact O-N 2.84Å; E750-L759 WeakPolarHBondContact O-CA 3.47Å; E750-N760 PolarHBondContact N-O 2.69Å; E750-N760 PolarHBondContact O-N 2.91Å; E750-I762 HydrophobicContact CB-CD1 3.51Å; E750-I762 HydrophobicContact CB-CG1 3.59Å; E750-I762 HydrophobicContact CG-CD1 4.01Å |
| 751 | V | 88.1 | Confident | 86.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 105.2 | 159.2 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | V669 L706 P735 L737 L753 I757 L759 | V669-V751 HydrophobicContact CG1-CG2 4.04Å; V669-V751 HydrophobicContact CG2-CG2 4.18Å; L706-V751 HydrophobicContact CD1-CG1 4.47Å; L706-V751 HydrophobicContact CD1-CG2 3.83Å; L706-V751 HydrophobicContact CD2-CB 4.5Å; L706-V751 HydrophobicContact CD2-CG1 3.61Å; L706-V751 HydrophobicContact CD2-CG2 4.16Å; P735-V751 HydrophobicContact CB-CB 4.22Å; P735-V751 PolarHBondContact O-N 2.82Å; L737-V751 HydrophobicContact CD1-CG2 4.22Å; V751-L753 HydrophobicContact CG1-CD2 4.09Å; V751-L753 HydrophobicContact CG1-CG 4.24Å; V751-I757 HydrophobicContact CG1-CG2 4.1Å; V751-L759 HydrophobicContact CG2-CD2 3.75Å |
| 752 | Q | 84 | Confident | 85.8 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.7 | 172 | -71.4 | -170.4 | -15 | 0 | 0 | 109.2 | E750 I757 K758 N760 | E750-Q752 PolarHBondContact O-N 2.84Å; Q752-I757 WeakPolarHBondContact O-CA 3.34Å; Q752-K758 PolarHBondContact N-O 3.38Å; Q752-K758 PolarHBondContact O-N 3.37Å; Q752-N760 PolarHBondContact NE2-ND2 2.78Å; Q752-N760 VanDerWaalsContact NE2-ND2 3.19Å; Q752-N760 PolarHBondContact OE1-ND2 3.41Å |
| 753 | L | 71.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | trans | -103 | 24.2 | -173.1 | -65.1 | 145.2 | 0 | 0 | 0 | 112.4 | H671 Y682 P735 V751 | H671-L753 HydrophobicContact CB-CD1 4.39Å; H671-L753 WeakPolarHBondContact CD2-CD1 3.08Å; H671-L753 WeakPolarHBondContact CD2-CD2 3.49Å; H671-L753 VanDerWaalsContact CE1-CD1 3.48Å; H671-L753 WeakPolarHBondContact CE1-CD1 3.32Å; H671-L753 VanDerWaalsContact CG-CD1 3.49Å; H671-L753 WeakPolarHBondContact NE2-CD1 3.45Å; Y682-L753 HydrophobicContact CD2-CD2 4.28Å; Y682-L753 HydrophobicContact CE2-CD2 3.69Å; P735-L753 HydrophobicContact CB-CD1 4.16Å; P735-L753 HydrophobicContact CG-CD1 4.33Å; V751-L753 HydrophobicContact CG1-CD2 4.09Å; V751-L753 HydrophobicContact CG1-CG 4.24Å | ||
| 754 | N | 72.6 | Confident | 85.8 | Confident | 122 Ų | 122 | 51.5 Ų | 51.5 | 65% | 0.652 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -72.8 | -179.1 | 171.2 | -64 | 1.9 | 0 | 0 | 0 | 109.6 | N756 | N754-N756 CarbonylContact O-C 3.53Å; N754-N756 PolarHBondContact O-N 2.8Å |
| 755 | T | 65.6 | Low | 86 | Confident | 148 Ų | 148 | 51.7 Ų | 51.7 | 91% | 0.908 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -49.2 | -23.7 | 180 | 54 | 0 | 0 | 0 | 0 | 115.6 | ||
| 756 | N | 77.1 | Confident | 85.6 | Confident | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -115.1 | 95.1 | 169.9 | -81.3 | -34.9 | 0 | 0 | 0 | 110.6 | N754 K758 | N754-N756 CarbonylContact O-C 3.53Å; N754-N756 PolarHBondContact O-N 2.8Å; N756-K758 PolarHBondContact O-N 3.29Å; N756-K758 VanDerWaalsContact O-N 3.16Å |
| 757 | I | 82.5 | Confident | 85 | Confident | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | trans | -64.6 | 113.8 | 178.5 | -61.9 | 156.1 | 0 | 0 | 0 | 110.1 | Y682 L706 M717 V751 Q752 | Y682-I757 HydrophobicContact CE1-CD1 3.97Å; Y682-I757 HydrophobicContact CE1-CG2 3.95Å; Y682-I757 WeakPolarHBondContact OH-CD1 3.3Å; L706-I757 HydrophobicContact CD2-CG2 3.61Å; M717-I757 HydrophobicContact CB-CG2 4.16Å; M717-I757 HydrophobicContact CG-CG2 4.42Å; M717-I757 HydrophobicContact SD-CB 4.29Å; M717-I757 HydrophobicContact SD-CD1 3.69Å; M717-I757 HydrophobicContact SD-CG2 4.49Å; V751-I757 HydrophobicContact CG1-CG2 4.1Å; Q752-I757 WeakPolarHBondContact O-CA 3.34Å | ||
| 758 | K | 87.9 | Confident | 84.5 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.4 | -177.9 | -70.2 | -174.8 | 180 | 179.5 | 0 | 112.2 | Q752 N756 | Q752-K758 PolarHBondContact N-O 3.38Å; Q752-K758 PolarHBondContact O-N 3.37Å; N756-K758 PolarHBondContact O-N 3.29Å; N756-K758 VanDerWaalsContact O-N 3.16Å |
| 759 | L | 88.8 | Confident | 83.8 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.1 | 170.8 | -75.5 | 170.5 | 0 | 0 | 0 | 110.4 | L704 L706 S718 V720 L737 Y749 E750 V751 | L704-L759 HydrophobicContact CD2-CD1 3.89Å; L704-L759 HydrophobicContact CG-CD1 3.86Å; L706-L759 HydrophobicContact CB-CD1 3.8Å; L706-L759 HydrophobicContact CB-CG 3.95Å; L706-L759 HydrophobicContact CD1-CD2 4.41Å; L706-L759 HydrophobicContact CD2-CD2 4.5Å; L706-L759 HydrophobicContact CD2-CG 4.28Å; S718-L759 PolarHBondContact OG-N 3Å; V720-L759 HydrophobicContact CG2-CB 3.86Å; V720-L759 HydrophobicContact CG2-CD1 4.21Å; L737-L759 HydrophobicContact CD1-CD2 3.66Å; Y749-L759 HydrophobicContact CD1-CB 4.22Å; E750-L759 WeakPolarHBondContact O-CA 3.47Å; V751-L759 HydrophobicContact CG2-CD2 3.75Å |
| 760 | N | 88.6 | Confident | 83 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.7 | 176.8 | -77.1 | -17 | 0 | 0 | 0 | 111.3 | Y749 E750 Q752 I762 | Y749-N760 CarbonylContact C-O 3.58Å; Y749-N760 WeakPolarHBondContact CA-O 3.14Å; E750-N760 PolarHBondContact N-O 2.69Å; E750-N760 PolarHBondContact O-N 2.91Å; Q752-N760 PolarHBondContact NE2-ND2 2.78Å; Q752-N760 VanDerWaalsContact NE2-ND2 3.19Å; Q752-N760 PolarHBondContact OE1-ND2 3.41Å; N760-I762 PolarHBondContact O-N 3.24Å |
| 761 | I | 89.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.5 | 175.7 | -60.2 | 170.6 | 0 | 0 | 0 | 108.9 | I748 Y749 | I748-I761 CarbonylContact O-C 3.48Å; I748-I761 WeakPolarHBondContact O-CA 3.43Å; Y749-I761 HydrophobicContact CD1-CG1 3.59Å; Y749-I761 HydrophobicContact CE1-CB 4.47Å; Y749-I761 HydrophobicContact CE1-CD1 3.82Å; Y749-I761 HydrophobicContact CE1-CG1 3.16Å; Y749-I761 HydrophobicContact CE2-CG1 4.28Å; Y749-I761 HydrophobicContact CG-CG1 4.31Å |
| 762 | I | 87.3 | Confident | 81.9 | Confident | 45 Ų | 45 | 58 Ų | 58 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -46.5 | 173.5 | -42.2 | 175.7 | 0 | 0 | 0 | 110.1 | W736 I748 E750 N760 | W736-I762 HydrophobicContact CD2-CD1 4.23Å; W736-I762 HydrophobicContact CG-CD1 4.22Å; W736-I762 HydrophobicContact CZ2-CD1 4.29Å; I748-I762 HydrophobicContact CG2-CD1 4.46Å; I748-I762 PolarHBondContact O-N 3.43Å; E750-I762 HydrophobicContact CB-CD1 3.51Å; E750-I762 HydrophobicContact CB-CG1 3.59Å; E750-I762 HydrophobicContact CG-CD1 4.01Å; N760-I762 PolarHBondContact O-N 3.24Å |
| 763 | H | 86.7 | Confident | 81.4 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141.8 | -172.1 | -61.1 | -52.4 | 0 | 0 | 0 | 111.3 | I748 | I748-H763 HydrophobicContact CB-CB 4.13Å; I748-H763 HydrophobicContact CD1-CB 4.21Å; I748-H763 HydrophobicContact CG1-CB 4.43Å; I748-H763 PolarHBondContact N-O 2.8Å; I748-H763 PolarHBondContact O-N 3.12Å |
| 764 | S | 89 | Confident | 81.1 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.6 | 166.6 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | V746 | V746-S764 CarbonylContact O-C 3.58Å |
| 765 | L | 89.4 | Confident | 80.3 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.2 | 176.8 | -52.6 | 175.4 | 0 | 0 | 0 | 108.6 | T3 T745 V746 I748 L813 Y833 | T3-L765 HydrophobicContact CG2-CD2 4.08Å; T3-L765 VanDerWaalsContact OG1-CD2 3.29Å; T3-L765 WeakPolarHBondContact OG1-CD2 3.44Å; T745-L765 WeakPolarHBondContact CA-O 3.49Å; T745-L765 WeakPolarHBondContact CB-O 3.3Å; V746-L765 HydrophobicContact CB-CB 4.1Å; V746-L765 HydrophobicContact CB-CD1 4.19Å; V746-L765 HydrophobicContact CB-CG 4.5Å; V746-L765 HydrophobicContact CG1-CD1 4.27Å; V746-L765 PolarHBondContact N-O 2.84Å; V746-L765 PolarHBondContact O-N 2.79Å; I748-L765 HydrophobicContact CD1-CD1 3.92Å; I748-L765 HydrophobicContact CD1-CG 4.23Å; I748-L765 HydrophobicContact CG1-CD1 4.48Å; L765-L813 HydrophobicContact CD1-CD2 3.86Å; L765-Y833 HydrophobicContact CB-CD1 4.06Å; L765-Y833 HydrophobicContact CB-CE1 3.73Å; L765-Y833 HydrophobicContact CD1-CD1 3.77Å; L765-Y833 HydrophobicContact CD1-CD2 4.01Å; L765-Y833 HydrophobicContact CD1-CE1 4.16Å; L765-Y833 HydrophobicContact CD1-CE2 4.36Å; L765-Y833 HydrophobicContact CD1-CG 3.71Å; L765-Y833 HydrophobicContact CD2-CD1 4.07Å; L765-Y833 HydrophobicContact CG-CD1 4.19Å; L765-Y833 HydrophobicContact CG-CE1 4.37Å |
| 766 | A | 84 | Confident | 79.7 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 147.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y833 | A766-Y833 PolarHBondContact O-OH 3Å; A766-Y833 VanDerWaalsContact O-OH 3.13Å |
| 767 | N | 80.5 | Confident | 78.4 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 141.5 | 171.1 | -171.1 | 3.3 | 0 | 0 | 0 | 110.2 | N743 G744 T745 T792 | N743-N767 PolarHBondContact O-ND2 3.24Å; G744-N767 VanDerWaalsContact C-CG 3.45Å; G744-N767 WeakPolarHBondContact CA-ND2 3.21Å; G744-N767 WeakPolarHBondContact O-CA 3.48Å; G744-N767 WeakPolarHBondContact O-CB 3.27Å; G744-N767 VanDerWaalsContact O-CG 3.24Å; G744-N767 PolarHBondContact O-OD1 2.81Å; T745-N767 HydrophobicContact CG2-CB 4Å; N767-T792 PolarHBondContact ND2-OG1 3.21Å; N767-T792 PolarHBondContact OD1-OG1 3.35Å |
| 768 | L | 83.6 | Confident | 76.8 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 18% | 0.183 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 141.5 | 174.3 | -68.4 | 171.5 | 0 | 0 | 0 | 111.5 | V5 T792 M817 V831 | V5-L768 HydrophobicContact CG1-CD1 3.83Å; V5-L768 HydrophobicContact CG1-CD2 3.95Å; V5-L768 HydrophobicContact CG1-CG 4.31Å; L768-T792 PolarHBondContact O-OG1 3.35Å; L768-M817 HydrophobicContact CB-SD 3.96Å; L768-M817 HydrophobicContact CD1-SD 4.42Å; L768-V831 HydrophobicContact CD1-CB 4.11Å; L768-V831 HydrophobicContact CD1-CG1 3.33Å; L768-V831 HydrophobicContact CD1-CG2 3.6Å |
| 769 | A | 78.8 | Confident | 74.9 | Confident | 45 Ų | 45 | 57 Ų | 57 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 140.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R7 L773 | R7-A769 PolarHBondContact NH2-O 3.14Å; A769-L773 HydrophobicContact CB-CD2 4.04Å |
| 770 | S | 76.8 | Confident | 72.6 | Confident | 20 Ų | 20 | 61 Ų | 61 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 148 | 170.3 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 771 | Q | 77.8 | Confident | 70.3 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -116 | 139.6 | 170.9 | -68.8 | -169.3 | -40.4 | 0 | 0 | 109.3 | ||
| 772 | P | 77.9 | Confident | 68 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | S | Bend | cis | -70.7 | 159.3 | -0.3 | 30.1 | -35.4 | 0 | 0 | 0 | 113.9 | D52 L72 E824 | D52-P772 WeakPolarHBondContact OD1-CA 3.39Å; D52-P772 VanDerWaalsContact OD1-CB 3.22Å; D52-P772 WeakPolarHBondContact OD1-CB 3.42Å; L72-P772 HydrophobicContact CD1-CB 3.56Å; L72-P772 HydrophobicContact CD1-CG 3.83Å; P772-E824 HydrophobicContact CG-CG 4.4Å |
| 773 | L | 73.8 | Confident | 65.7 | Low | 67 Ų | 67 | 68.4 Ų | 68.4 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -80.6 | -26.9 | -174 | -66.3 | 170.4 | 0 | 0 | 0 | 113.3 | D52 A769 D775 R776 | D52-L773 PolarHBondContact OD1-N 3.45Å; D52-L773 PolarHBondContact OD2-N 3.25Å; A769-L773 HydrophobicContact CB-CD2 4.04Å; L773-D775 VanDerWaalsContact C-N 3.3Å; L773-D775 PolarHBondContact O-N 3.07Å; L773-R776 WeakPolarHBondContact O-CB 3.28Å; L773-R776 PolarHBondContact O-N 2.81Å |
| 774 | C | 64.4 | Low | 63.7 | Low | 11 Ų | 11 | 70.9 Ų | 70.9 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.3 | -172.9 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | D52 L72 R776 I777 R823 | D52-C774 WeakPolarHBondContact OD2-CA 2.91Å; D52-C774 VanDerWaalsContact OD2-CB 3.22Å; D52-C774 WeakPolarHBondContact OD2-CB 3.47Å; D52-C774 PolarHBondContact OD2-N 3.09Å; L72-C774 HydrophobicContact CB-CB 4.21Å; C774-R776 PolarHBondContact O-N 3.29Å; C774-I777 PolarHBondContact O-N 2.9Å; C774-R823 PolarHBondContact SG-NH1 3.12Å |
| 775 | D | 55.6 | Low | 61.7 | Low | 10 Ų | 10 | 76.6 Ų | 76.6 | 5% | 0.053 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.7 | -21.9 | -177 | -69.2 | -28.5 | 0 | 0 | 0 | 113 | L773 I777 K779 R823 | L773-D775 VanDerWaalsContact C-N 3.3Å; L773-D775 PolarHBondContact O-N 3.07Å; D775-I777 PolarHBondContact O-N 3.12Å; D775-K779 PolarHBondContact O-N 3.03Å; D775-R823 WeakPolarHBondContact OD1-CD 3.45Å; D775-R823 VanDerWaalsContact OD1-CG 3.31Å; D775-R823 WeakPolarHBondContact OD1-CG 3.25Å; D775-R823 IonicContact OD1-CZ 3.81Å; D775-R823 IonicContact OD1-NE 2.95Å; D775-R823 IonicContact OD1-NH1 2.8Å; D775-R823 PolarHBondContact OD1-NH1 3.07Å; D775-R823 WeakPolarHBondContact OD2-CA 3.36Å; D775-R823 WeakPolarHBondContact OD2-CB 2.92Å; D775-R823 WeakPolarHBondContact OD2-CG 3.43Å; D775-R823 PolarHBondContact OD2-N 3.21Å |
| 776 | R | 53.8 | Low | 59.8 | Low | 188 Ų | 188 | 80.4 Ų | 80.4 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 179.7 | -171.6 | 177.3 | 66.2 | 169.9 | 1.8 | 112.7 | L773 C774 | L773-R776 WeakPolarHBondContact O-CB 3.28Å; L773-R776 PolarHBondContact O-N 2.81Å; C774-R776 PolarHBondContact O-N 3.29Å |
| 777 | I | 50.1 | Low | 58.1 | Low | 117 Ų | 117 | 87 Ų | 87 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -75.2 | -43.7 | -172.4 | -57.9 | 176.8 | 0 | 0 | 0 | 109.8 | C774 D775 S780 | C774-I777 PolarHBondContact O-N 2.9Å; D775-I777 PolarHBondContact O-N 3.12Å; I777-S780 PolarHBondContact O-OG 2.83Å |
| 778 | H | 49.3 | Very low | 56.9 | Low | 129 Ų | 129 | 93.7 Ų | 93.7 | 60% | 0.597 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -89.4 | -29.6 | -169.6 | -70.1 | -68.4 | 0 | 0 | 0 | 115 | ||
| 779 | K | 46.6 | Very low | 55.7 | Low | 102 Ų | 102 | 92.6 Ų | 92.6 | 44% | 0.443 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -92.3 | 0.1 | -179.4 | -74.1 | -172.6 | 177.2 | 179.1 | 0 | 114.9 | D775 G781 V782 | D775-K779 PolarHBondContact O-N 3.03Å; K779-G781 PolarHBondContact O-N 2.86Å; K779-V782 PolarHBondContact O-N 2.86Å |
| 780 | S | 41.2 | Very low | 55.2 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -59.5 | -14.3 | 173.7 | 63 | 0 | 0 | 0 | 0 | 114.1 | I777 | I777-S780 PolarHBondContact O-OG 2.83Š|
| 781 | G | 40.1 | Very low | 55.3 | Low | 69 Ų | 69 | 95.4 Ų | 95.4 | 71% | 0.711 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -73.9 | -17.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | K779 K783 | K779-G781 PolarHBondContact O-N 2.86Å; G781-K783 PolarHBondContact O-N 2.92Å |
| 782 | V | 41.8 | Very low | 55.8 | Low | 83 Ų | 83 | 94.3 Ų | 94.3 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -78.3 | 116.3 | 170.7 | -169.7 | 0 | 0 | 0 | 0 | 106.7 | K779 N784 | K779-V782 PolarHBondContact O-N 2.86Å; V782-N784 HydrophobicContact CG1-CB 4.38Å; V782-N784 VanDerWaalsContact CG1-CG 3.47Å; V782-N784 WeakPolarHBondContact CG1-OD1 3.33Å; V782-N784 PolarHBondContact O-N 3.08Å |
| 783 | K | 39.2 | Very low | 56.4 | Low | 212 Ų | 212 | 96 Ų | 96 | 92% | 0.922 | 48% | 0.479 | S | S | * | . | trans | -63.6 | 45.1 | 177.6 | -67.5 | -177.9 | 175.5 | 177.4 | 0 | 113.1 | G781 | G781-K783 PolarHBondContact O-N 2.92Š| ||
| 784 | N | 44.9 | Very low | 57.4 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | trans | -73.1 | 138 | -171.8 | -88.2 | -12.2 | 0 | 0 | 0 | 111.2 | V782 H786 | V782-N784 HydrophobicContact CG1-CB 4.38Å; V782-N784 VanDerWaalsContact CG1-CG 3.47Å; V782-N784 WeakPolarHBondContact CG1-OD1 3.33Å; V782-N784 PolarHBondContact O-N 3.08Å; N784-H786 PolarHBondContact O-N 2.85Å | ||
| 785 | K | 46.7 | Very low | 58.6 | Low | 207 Ų | 207 | 92.9 Ų | 92.9 | 90% | 0.9 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -55.4 | 0.8 | -174.9 | -66.2 | 172.6 | 174.9 | 173.1 | 0 | 115.9 | K787 | K785-K787 PolarHBondContact O-N 2.84Š|
| 786 | H | 48.8 | Very low | 60.5 | Low | 85 Ų | 85 | 93.3 Ų | 93.3 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | trans | -96 | 28.6 | -174.1 | -66.6 | -68.3 | 0 | 0 | 0 | 113.7 | N784 Q788 S789 I821 | N784-H786 PolarHBondContact O-N 2.85Å; H786-Q788 PolarHBondContact O-N 3.21Å; H786-S789 PolarHBondContact O-N 3.36Å; H786-S789 VanDerWaalsContact O-N 3.09Å; H786-S789 PolarHBondContact O-OG 2.95Å; H786-I821 HydrophobicContact CB-CD1 3.67Å; H786-I821 HydrophobicContact CB-CG1 4.39Å | ||
| 787 | K | 49.2 | Very low | 62.4 | Low | 209 Ų | 209 | 84.7 Ų | 84.7 | 91% | 0.909 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -23.6 | 176.8 | -80.4 | -172.7 | 175.8 | -178.8 | 0 | 114 | K785 | K785-K787 PolarHBondContact O-N 2.84Š|
| 788 | Q | 53.7 | Low | 64.4 | Low | 162 Ų | 162 | 79.9 Ų | 79.9 | 76% | 0.757 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -15.5 | -177.3 | -72.3 | 179.9 | -11.1 | 0 | 0 | 115 | H786 | H786-Q788 PolarHBondContact O-N 3.21Š|
| 789 | S | 59.2 | Low | 66.3 | Low | 13 Ų | 13 | 73.9 Ų | 73.9 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -112.8 | 144.3 | -178.6 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | H786 G791 | H786-S789 PolarHBondContact O-N 3.36Å; H786-S789 VanDerWaalsContact O-N 3.09Å; H786-S789 PolarHBondContact O-OG 2.95Å; S789-G791 PolarHBondContact O-N 2.82Å |
| 790 | N | 67.4 | Low | 68.1 | Low | 120 Ų | 120 | 69.1 Ų | 69.1 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -72.1 | 19 | 170.4 | -69.4 | -22.9 | 0 | 0 | 0 | 113.5 | ||
| 791 | G | 80.6 | Confident | 69.5 | Low | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 94.4 | 3.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S789 L820 I821 | S789-G791 PolarHBondContact O-N 2.82Å; G791-L820 PolarHBondContact O-N 2.8Å; G791-I821 PolarHBondContact O-N 2.79Å |
| 792 | T | 88.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 156.9 | -177 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | N767 L768 M817 K818 | N767-T792 PolarHBondContact ND2-OG1 3.21Å; N767-T792 PolarHBondContact OD1-OG1 3.35Å; L768-T792 PolarHBondContact O-OG1 3.35Å; T792-M817 HydrophobicContact CG2-CE 4.14Å; T792-M817 HydrophobicContact CG2-CG 4.42Å; T792-M817 HydrophobicContact CG2-SD 3.88Å; T792-K818 VanDerWaalsContact CA-O 3.31Å; T792-K818 WeakPolarHBondContact CA-O 3.48Å |
| 793 | M | 90.9 | Very high | 71.3 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 21% | 0.207 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 139.8 | -179.6 | 177.6 | -175.3 | -73 | 0 | 0 | 110.8 | T726 K742 M817 K818 L820 | T726-M793 HydrophobicContact CG2-CE 4.08Å; T726-M793 HydrophobicContact CG2-CG 3.8Å; T726-M793 HydrophobicContact CG2-SD 3.6Å; T726-M793 VanDerWaalsContact CG2-SD 3.6Å; K742-M793 HydrophobicContact CB-CE 4.38Å; K742-M793 HydrophobicContact CG-CE 4.39Å; M793-M817 CarbonylContact O-C 3.52Å; M793-M817 WeakPolarHBondContact O-CA 3.42Å; M793-K818 PolarHBondContact N-O 2.81Å; M793-K818 PolarHBondContact O-N 3.13Å; M793-L820 HydrophobicContact CB-CD1 3.78Å; M793-L820 HydrophobicContact CB-CD2 4.43Å; M793-L820 HydrophobicContact CB-CG 4.18Å; M793-L820 HydrophobicContact CE-CD1 3.88Å |
| 794 | F | 93.5 | Very high | 71.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 125.3 | 170.6 | -74 | -79.3 | 0 | 0 | 0 | 110.7 | T726 C727 G744 V746 L797 L816 M817 V831 Y833 | T726-F794 WeakPolarHBondContact CB-O 3.42Å; T726-F794 PolarHBondContact OG1-O 2.85Å; C727-F794 PolarHBondContact SG-O 3.27Å; G744-F794 WeakPolarHBondContact O-CD2 3.42Å; V746-F794 HydrophobicContact CG2-CD2 3.47Å; V746-F794 VanDerWaalsContact CG2-CD2 3.47Å; V746-F794 HydrophobicContact CG2-CE2 3.71Å; V746-F794 HydrophobicContact CG2-CG 4.03Å; V746-F794 HydrophobicContact CG2-CZ 4.43Å; F794-L797 HydrophobicContact CB-CD2 4.33Å; F794-L797 HydrophobicContact CD1-CD2 3.94Å; F794-L797 HydrophobicContact CG-CD2 4.16Å; F794-L816 WeakPolarHBondContact CA-O 3.38Å; F794-M817 HydrophobicContact CD1-CB 4.01Å; F794-M817 HydrophobicContact CE1-CB 3.81Å; F794-M817 HydrophobicContact CE1-CG 4.39Å; F794-M817 HydrophobicContact CZ-CB 4.33Å; F794-M817 HydrophobicContact CZ-CG 4.48Å; F794-M817 HydrophobicContact CZ-SD 4.44Å; F794-V831 HydrophobicContact CE1-CB 3.97Å; F794-V831 HydrophobicContact CE1-CG1 4.45Å; F794-V831 HydrophobicContact CE1-CG2 4.16Å; F794-V831 HydrophobicContact CZ-CB 4.21Å; F794-V831 HydrophobicContact CZ-CG1 4.24Å; F794-V831 HydrophobicContact CZ-CG2 4.31Å; F794-Y833 HydrophobicContact CE1-CE2 4.28Å; F794-Y833 HydrophobicContact CE2-CE2 4.37Å; F794-Y833 AromaticContact CZ-CE2 3.7Å; F794-Y833 HydrophobicContact CZ-CE2 3.7Å; F794-Y833 AromaticContact CZ-CZ 3.99Å; F794-Y833 WeakPolarHBondContact CZ-OH 3.33Å |
| 795 | V | 91 | Very high | 72.2 | Confident | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -26.6 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | E382 C727 L816 K818 Y828 | E382-V795 HydrophobicContact CB-CB 4.17Å; E382-V795 HydrophobicContact CB-CG2 4.23Å; E382-V795 VanDerWaalsContact CD-CB 3.5Å; E382-V795 HydrophobicContact CG-CB 3.91Å; E382-V795 HydrophobicContact CG-CG1 4.45Å; E382-V795 HydrophobicContact CG-CG2 4.15Å; E382-V795 WeakPolarHBondContact OE1-CG1 3.43Å; C727-V795 WeakPolarHBondContact CB-O 3.03Å; V795-L816 HydrophobicContact CG2-CB 3.91Å; V795-L816 HydrophobicContact CG2-CD2 3.74Å; V795-L816 HydrophobicContact CG2-CG 3.73Å; V795-L816 VanDerWaalsContact CG2-O 3.22Å; V795-L816 WeakPolarHBondContact CG2-O 3.35Å; V795-L816 PolarHBondContact N-O 2.94Å; V795-K818 HydrophobicContact CG1-CB 3.88Å; V795-K818 HydrophobicContact CG1-CD 4.28Å; V795-Y828 HydrophobicContact CG1-CE1 4.17Å; V795-Y828 HydrophobicContact CG2-CD1 4.1Å; V795-Y828 HydrophobicContact CG2-CE1 3.65Å |
| 796 | S | 93.7 | Very high | 72.5 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 148.3 | -179.8 | -155.3 | 0 | 0 | 0 | 0 | 110.3 | E382 L384 G815 L816 | E382-S796 WeakPolarHBondContact O-CB 2.88Å; E382-S796 PolarHBondContact O-OG 3.32Å; L384-S796 WeakPolarHBondContact CB-OG 3.33Å; S796-G815 CarbonylContact O-C 3.51Å; S796-G815 VanDerWaalsContact O-CA 3.3Å; S796-G815 WeakPolarHBondContact O-CA 3.44Å; S796-L816 PolarHBondContact N-O 2.86Å; S796-L816 PolarHBondContact O-N 3.12Å |
| 797 | L | 94.6 | Very high | 72.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.3 | -179.6 | -70 | 172.8 | 0 | 0 | 0 | 108.8 | C727 T729 A738 G740 V746 F794 L813 V814 | C727-L797 VanDerWaalsContact SG-CG 3.6Å; T729-L797 VanDerWaalsContact CB-O 3.28Å; T729-L797 WeakPolarHBondContact CB-O 3.23Å; T729-L797 HydrophobicContact CG2-CB 3.57Å; T729-L797 WeakPolarHBondContact CG2-O 3.17Å; T729-L797 PolarHBondContact OG1-O 2.96Å; A738-L797 HydrophobicContact CB-CD1 4.22Å; G740-L797 VanDerWaalsContact N-CD1 3.31Å; V746-L797 HydrophobicContact CG1-CD1 3.71Å; V746-L797 HydrophobicContact CG1-CD2 4.48Å; V746-L797 HydrophobicContact CG2-CD1 4.18Å; V746-L797 HydrophobicContact CG2-CD2 4.04Å; F794-L797 HydrophobicContact CB-CD2 4.33Å; F794-L797 HydrophobicContact CD1-CD2 3.94Å; F794-L797 HydrophobicContact CG-CD2 4.16Å; L797-L813 HydrophobicContact CB-CD1 4.41Å; L797-L813 HydrophobicContact CD2-CD2 4.08Å; L797-L813 HydrophobicContact CD2-CG 4.38Å; L797-V814 CarbonylContact C-O 3.54Å; L797-V814 WeakPolarHBondContact CA-O 3.39Å |
| 798 | C | 92.1 | Very high | 73.3 | Confident | 15 Ų | 15 | 53 Ų | 53 | 10% | 0.101 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 127.3 | 176.6 | -168 | 0 | 0 | 0 | 0 | 109.6 | L384 T386 V814 | L384-C798 HydrophobicContact CD2-CB 3.94Å; L384-C798 HydrophobicContact CG-CB 3.97Å; T386-C798 HydrophobicContact CG2-CB 4.41Å; T386-C798 VanDerWaalsContact CG2-SG 3.54Å; C798-V814 PolarHBondContact N-O 2.92Å; C798-V814 PolarHBondContact O-N 2.89Å |
| 799 | F | 90 | Very high | 73.8 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 142.8 | 175.2 | -79 | -80.6 | 0 | 0 | 0 | 110.8 | T729 S730 H731 W736 A738 V811 L813 | T729-F799 HydrophobicContact CG2-CD2 3.8Å; T729-F799 HydrophobicContact CG2-CE2 3.91Å; S730-F799 VanDerWaalsContact C-CD2 3.43Å; S730-F799 WeakPolarHBondContact O-CD2 3.48Å; H731-F799 HydrophobicContact CB-CD1 4.37Å; H731-F799 HydrophobicContact CB-CD2 3.98Å; H731-F799 HydrophobicContact CB-CE2 4.11Å; H731-F799 HydrophobicContact CB-CG 4.08Å; H731-F799 HydrophobicContact CB-CZ 4.36Å; H731-F799 AromaticContact CD2-CD1 3.54Å; H731-F799 AromaticContact CD2-CG 3.76Å; W736-F799 HydrophobicContact CB-CZ 4.48Å; A738-F799 HydrophobicContact CB-CD2 4.48Å; A738-F799 HydrophobicContact CB-CE1 4.37Å; A738-F799 HydrophobicContact CB-CE2 3.51Å; A738-F799 HydrophobicContact CB-CZ 3.46Å; A738-F799 VanDerWaalsContact CB-CZ 3.46Å; F799-V811 HydrophobicContact CE1-CG1 4.39Å; F799-L813 HydrophobicContact CD1-CB 4.4Å; F799-L813 HydrophobicContact CD1-CD1 3.77Å; F799-L813 HydrophobicContact CD2-CD1 4.05Å; F799-L813 HydrophobicContact CE1-CD1 3.97Å; F799-L813 HydrophobicContact CE2-CD1 4.25Å; F799-L813 HydrophobicContact CG-CD1 3.85Å; F799-L813 HydrophobicContact CZ-CD1 4.23Å |
| 800 | I | 83.3 | Confident | 74.6 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 121.5 | 167.6 | -71.2 | 174.4 | 0 | 0 | 0 | 108 | T386 T401 V417 L802 Q812 V814 Y832 | T386-I800 HydrophobicContact CG2-CG1 3.83Å; T401-I800 HydrophobicContact CG2-CD1 4.15Å; T401-I800 HydrophobicContact CG2-CG1 4.13Å; T401-I800 HydrophobicContact CG2-CG2 4.07Å; V417-I800 HydrophobicContact CB-CD1 4.47Å; V417-I800 HydrophobicContact CG1-CD1 4.03Å; V417-I800 HydrophobicContact CG2-CD1 3.74Å; I800-L802 PolarHBondContact O-N 2.94Å; I800-Q812 HydrophobicContact CB-CB 3.96Å; I800-Q812 HydrophobicContact CG2-CB 4.42Å; I800-Q812 PolarHBondContact N-O 3Å; I800-V814 HydrophobicContact CD1-CG2 3.32Å; I800-V814 HydrophobicContact CG1-CG2 3.93Å; I800-Y832 HydrophobicContact CD1-CD2 3.9Å; I800-Y832 HydrophobicContact CD1-CE2 3.59Å |
| 801 | P | 70.3 | Confident | 75.2 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 134.5 | 177.7 | 16.6 | -22.8 | 0 | 0 | 0 | 110.8 | Q388 P732 | Q388-P801 HydrophobicContact CG-CG 3.57Å; Q388-P801 VanDerWaalsContact NE2-CB 3.3Å; P732-P801 HydrophobicContact CG-CB 3.83Å; P732-P801 HydrophobicContact CG-CG 4.36Å |
| 802 | L | 63.3 | Low | 75.5 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 145.3 | 176.8 | -68.9 | 156 | 0 | 0 | 0 | 109.6 | I800 D806 H810 Q812 | I800-L802 PolarHBondContact O-N 2.94Å; L802-D806 HydrophobicContact CB-CB 4.49Å; L802-D806 HydrophobicContact CD2-CB 3.68Å; L802-D806 VanDerWaalsContact CD2-OD2 3.23Å; L802-D806 WeakPolarHBondContact CD2-OD2 3.32Å; L802-H810 HydrophobicContact CD1-CB 4.47Å; L802-H810 VanDerWaalsContact CD1-O 3.25Å; L802-H810 WeakPolarHBondContact CD1-O 3.25Å; L802-Q812 HydrophobicContact CD2-CB 4.44Å; L802-Q812 VanDerWaalsContact CD2-CD 3.49Å; L802-Q812 HydrophobicContact CD2-CG 3.75Å |
| 803 | N | 57.1 | Low | 75.7 | Confident | 100 Ų | 100 | 47.6 Ų | 47.6 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 143.1 | 158.3 | -69.9 | 0.9 | 0 | 0 | 0 | 107.5 | N805 D806 | N803-N805 PolarHBondContact O-N 2.8Å; N803-D806 PolarHBondContact O-N 2.88Å; N803-D806 VanDerWaalsContact O-N 3.13Å |
| 804 | D | 51.4 | Low | 75.8 | Confident | 165 Ų | 165 | 45.6 Ų | 45.6 | 88% | 0.882 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -14.6 | -171.4 | -69.8 | -34 | 0 | 0 | 0 | 115.4 | D806 | D804-D806 PolarHBondContact O-N 2.93Š|
| 805 | N | 51 | Low | 75.8 | Confident | 153 Ų | 153 | 45.6 Ų | 45.6 | 82% | 0.818 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.3 | 179.7 | -74.2 | -22.1 | 0 | 0 | 0 | 115.1 | N803 | N803-N805 PolarHBondContact O-N 2.8Š|
| 806 | D | 53.8 | Low | 75.9 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 34% | 0.342 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -86.9 | 114.5 | 175.9 | -82.8 | -18.2 | 0 | 0 | 0 | 109.7 | L802 N803 D804 H810 Q812 | L802-D806 HydrophobicContact CB-CB 4.49Å; L802-D806 HydrophobicContact CD2-CB 3.68Å; L802-D806 VanDerWaalsContact CD2-OD2 3.23Å; L802-D806 WeakPolarHBondContact CD2-OD2 3.32Å; N803-D806 PolarHBondContact O-N 2.88Å; N803-D806 VanDerWaalsContact O-N 3.13Å; D804-D806 PolarHBondContact O-N 2.93Å; D806-H810 HydrophobicContact CB-CB 4.42Å; D806-Q812 PolarHBondContact OD2-NE2 2.75Å |
| 807 | G | 55.3 | Low | 75.8 | Confident | 55 Ų | 55 | 44.4 Ų | 44.4 | 57% | 0.567 | 25% | 0.246 | S | C | * | . | trans | -47.9 | 155.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.8 | H809 H810 | G807-H809 PolarHBondContact O-N 3.07Å; G807-H810 PolarHBondContact O-N 2.79Å | ||
| 808 | D | 59.3 | Low | 75.6 | Confident | 130 Ų | 130 | 46.4 Ų | 46.4 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -31.8 | -162.8 | -78.4 | -25.1 | 0 | 0 | 0 | 116.5 | K734 W736 | K734-D808 PolarHBondContact NZ-O 2.89Å; W736-D808 WeakPolarHBondContact CH2-O 2.99Å; W736-D808 VanDerWaalsContact CZ2-O 3.28Å; W736-D808 WeakPolarHBondContact CZ2-O 3.29Å |
| 809 | H | 63 | Low | 75.4 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 13 | -176.5 | -60.6 | -54.7 | 0 | 0 | 0 | 115.2 | G807 | G807-H809 PolarHBondContact O-N 3.07Š|
| 810 | H | 76.3 | Confident | 75.1 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | trans | -77.3 | 128.8 | 174.5 | -156.5 | 76.8 | 0 | 0 | 0 | 110.8 | L802 D806 G807 T835 | L802-H810 HydrophobicContact CD1-CB 4.47Å; L802-H810 VanDerWaalsContact CD1-O 3.25Å; L802-H810 WeakPolarHBondContact CD1-O 3.25Å; D806-H810 HydrophobicContact CB-CB 4.42Å; G807-H810 PolarHBondContact O-N 2.79Å; H810-T835 PolarHBondContact CE1-OG1 2.75Å; H810-T835 VanDerWaalsContact CE1-OG1 3.23Å; H810-T835 PolarHBondContact NE2-OG1 2.76Å; H810-T835 VanDerWaalsContact NE2-OG1 3.09Å | ||
| 811 | V | 80.3 | Confident | 75 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | trans | -108.4 | 121.4 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 108.8 | W736 I748 F799 L813 | W736-V811 HydrophobicContact CH2-CG2 4.44Å; W736-V811 HydrophobicContact CZ3-CG2 3.87Å; I748-V811 HydrophobicContact CD1-CB 4.22Å; I748-V811 HydrophobicContact CD1-CG1 3.41Å; I748-V811 VanDerWaalsContact CD1-CG1 3.41Å; I748-V811 HydrophobicContact CD1-CG2 3.83Å; F799-V811 HydrophobicContact CE1-CG1 4.39Å; V811-L813 HydrophobicContact CG1-CB 4.09Å | ||
| 812 | Q | 87.4 | Confident | 75.3 | Confident | 23 Ų | 23 | 49 Ų | 49 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | trans | -113.5 | 112.7 | 164.7 | -67.4 | -172 | 27.3 | 0 | 0 | 110.1 | I800 L802 D806 Y832 Y833 | I800-Q812 HydrophobicContact CB-CB 3.96Å; I800-Q812 HydrophobicContact CG2-CB 4.42Å; I800-Q812 PolarHBondContact N-O 3Å; L802-Q812 HydrophobicContact CD2-CB 4.44Å; L802-Q812 VanDerWaalsContact CD2-CD 3.49Å; L802-Q812 HydrophobicContact CD2-CG 3.75Å; D806-Q812 PolarHBondContact OD2-NE2 2.75Å; Q812-Y832 HydrophobicContact CB-CE2 4.38Å; Q812-Y832 WeakPolarHBondContact CG-OH 3.33Å; Q812-Y832 PolarHBondContact OE1-OH 2.87Å; Q812-Y833 CarbonylContact C-O 3.59Å; Q812-Y833 VanDerWaalsContact CA-O 3.3Å; Q812-Y833 WeakPolarHBondContact CA-O 3.19Å | ||
| 813 | L | 91.7 | Very high | 76 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.8 | -174.3 | -176.8 | 73.3 | 0 | 0 | 0 | 110.3 | T729 A738 V746 L765 L797 F799 V811 Y833 | T729-L813 HydrophobicContact CG2-CD1 4.27Å; A738-L813 HydrophobicContact CB-CD1 3.92Å; A738-L813 HydrophobicContact CB-CD2 3.91Å; V746-L813 HydrophobicContact CG1-CD2 3.82Å; L765-L813 HydrophobicContact CD1-CD2 3.86Å; L797-L813 HydrophobicContact CB-CD1 4.41Å; L797-L813 HydrophobicContact CD2-CD2 4.08Å; L797-L813 HydrophobicContact CD2-CG 4.38Å; F799-L813 HydrophobicContact CD1-CB 4.4Å; F799-L813 HydrophobicContact CD1-CD1 3.77Å; F799-L813 HydrophobicContact CD2-CD1 4.05Å; F799-L813 HydrophobicContact CE1-CD1 3.97Å; F799-L813 HydrophobicContact CE2-CD1 4.25Å; F799-L813 HydrophobicContact CG-CD1 3.85Å; F799-L813 HydrophobicContact CZ-CD1 4.23Å; V811-L813 HydrophobicContact CG1-CB 4.09Å; L813-Y833 PolarHBondContact N-O 3.2Å; L813-Y833 PolarHBondContact O-N 2.87Å |
| 814 | V | 92.6 | Very high | 77.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.9 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | L384 L403 L797 C798 I800 L830 V831 Y832 | L384-V814 HydrophobicContact CD1-CG1 4.41Å; L384-V814 HydrophobicContact CD2-CG1 4.09Å; L403-V814 HydrophobicContact CD1-CB 4.43Å; L403-V814 HydrophobicContact CD1-CG1 3.79Å; L403-V814 HydrophobicContact CD1-CG2 3.95Å; L403-V814 HydrophobicContact CD2-CB 4.4Å; L403-V814 HydrophobicContact CD2-CG1 4.29Å; L403-V814 HydrophobicContact CD2-CG2 4.17Å; L797-V814 CarbonylContact C-O 3.54Å; L797-V814 WeakPolarHBondContact CA-O 3.39Å; C798-V814 PolarHBondContact N-O 2.92Å; C798-V814 PolarHBondContact O-N 2.89Å; I800-V814 HydrophobicContact CD1-CG2 3.32Å; I800-V814 HydrophobicContact CG1-CG2 3.93Å; V814-L830 HydrophobicContact CG1-CD1 3.37Å; V814-L830 HydrophobicContact CG1-CD2 4.48Å; V814-L830 HydrophobicContact CG1-CG 3.89Å; V814-V831 CarbonylContact C-O 3.55Å; V814-V831 VanDerWaalsContact CA-O 3.27Å; V814-V831 WeakPolarHBondContact CA-O 3.2Å; V814-Y832 HydrophobicContact CG2-CD2 3.77Å |
| 815 | G | 93.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S796 V831 | S796-G815 CarbonylContact O-C 3.51Å; S796-G815 VanDerWaalsContact O-CA 3.3Å; S796-G815 WeakPolarHBondContact O-CA 3.44Å; G815-V831 PolarHBondContact N-O 2.7Å; G815-V831 PolarHBondContact O-N 2.87Å |
| 816 | L | 93.7 | Very high | 80.4 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.3 | 166.7 | -171.4 | 66.2 | 0 | 0 | 0 | 107.8 | F364 L384 F794 V795 S796 Y828 L830 | F364-L816 HydrophobicContact CE1-CD1 4.45Å; F364-L816 HydrophobicContact CZ-CD1 4Å; L384-L816 HydrophobicContact CD2-CB 4.31Å; F794-L816 WeakPolarHBondContact CA-O 3.38Å; V795-L816 HydrophobicContact CG2-CB 3.91Å; V795-L816 HydrophobicContact CG2-CD2 3.74Å; V795-L816 HydrophobicContact CG2-CG 3.73Å; V795-L816 VanDerWaalsContact CG2-O 3.22Å; V795-L816 WeakPolarHBondContact CG2-O 3.35Å; V795-L816 PolarHBondContact N-O 2.94Å; S796-L816 PolarHBondContact N-O 2.86Å; S796-L816 PolarHBondContact O-N 3.12Å; L816-Y828 HydrophobicContact CD1-CD1 4.22Å; L816-Y828 HydrophobicContact CD1-CG 4.44Å; L816-Y828 HydrophobicContact CD2-CD1 4.11Å; L816-Y828 HydrophobicContact CD2-CE1 4.46Å; L816-Y828 HydrophobicContact CG-CD1 3.87Å; L816-L830 HydrophobicContact CD1-CD1 4.46Å |
| 817 | M | 92.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.9 | -175.2 | -174.7 | -176.6 | 65.9 | 0 | 0 | 110 | L768 T792 M793 F794 Y828 D829 V831 | L768-M817 HydrophobicContact CB-SD 3.96Å; L768-M817 HydrophobicContact CD1-SD 4.42Å; T792-M817 HydrophobicContact CG2-CE 4.14Å; T792-M817 HydrophobicContact CG2-CG 4.42Å; T792-M817 HydrophobicContact CG2-SD 3.88Å; M793-M817 CarbonylContact O-C 3.52Å; M793-M817 WeakPolarHBondContact O-CA 3.42Å; F794-M817 HydrophobicContact CD1-CB 4.01Å; F794-M817 HydrophobicContact CE1-CB 3.81Å; F794-M817 HydrophobicContact CE1-CG 4.39Å; F794-M817 HydrophobicContact CZ-CB 4.33Å; F794-M817 HydrophobicContact CZ-CG 4.48Å; F794-M817 HydrophobicContact CZ-SD 4.44Å; M817-Y828 CarbonylContact O-C 3.46Å; M817-Y828 WeakPolarHBondContact O-CA 3.24Å; M817-D829 HydrophobicContact CE-CB 3.89Å; M817-D829 PolarHBondContact N-O 3.48Å; M817-D829 PolarHBondContact O-N 2.93Å; M817-V831 HydrophobicContact CB-CG2 4Å; M817-V831 HydrophobicContact CE-CG2 4.1Å; M817-V831 HydrophobicContact SD-CG2 4.24Å |
| 818 | K | 90.1 | Very high | 83.8 | Confident | 50 Ų | 50 | 32.8 Ų | 32.8 | 22% | 0.217 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.6 | 174.2 | -172.4 | 175.9 | -175.4 | 167.4 | 0 | 110.9 | T792 M793 V795 L820 R827 Y828 | T792-K818 VanDerWaalsContact CA-O 3.31Å; T792-K818 WeakPolarHBondContact CA-O 3.48Å; M793-K818 PolarHBondContact N-O 2.81Å; M793-K818 PolarHBondContact O-N 3.13Å; V795-K818 HydrophobicContact CG1-CB 3.88Å; V795-K818 HydrophobicContact CG1-CD 4.28Å; K818-L820 HydrophobicContact CD-CD2 4.28Å; K818-L820 HydrophobicContact CG-CD2 4.32Å; K818-R827 WeakPolarHBondContact CA-O 3.47Å; K818-Y828 HydrophobicContact CB-CD1 4.05Å; K818-Y828 HydrophobicContact CB-CE1 3.75Å; K818-Y828 HydrophobicContact CD-CE1 3.99Å; K818-Y828 HydrophobicContact CG-CD1 4.41Å; K818-Y828 HydrophobicContact CG-CE1 3.94Å |
| 819 | T | 88.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.5 | 168.6 | -64.7 | 0 | 0 | 0 | 0 | 110 | I821 E824 G826 R827 | T819-I821 WeakPolarHBondContact CG2-O 3.19Å; T819-E824 WeakPolarHBondContact CB-O 3.33Å; T819-E824 WeakPolarHBondContact CG2-O 3.32Å; T819-G826 PolarHBondContact O-N 2.85Å; T819-R827 PolarHBondContact N-O 3.19Å |
| 820 | L | 83.8 | Confident | 86.7 | Confident | 32 Ų | 32 | 21.5 Ų | 21.5 | 17% | 0.168 | 11% | 0.105 | C | C | . | . | trans | -99.5 | -21.3 | -175.9 | -59.7 | -177.1 | 0 | 0 | 0 | 113.5 | G791 M793 K818 T825 | G791-L820 PolarHBondContact O-N 2.8Å; M793-L820 HydrophobicContact CB-CD1 3.78Å; M793-L820 HydrophobicContact CB-CD2 4.43Å; M793-L820 HydrophobicContact CB-CG 4.18Å; M793-L820 HydrophobicContact CE-CD1 3.88Å; K818-L820 HydrophobicContact CD-CD2 4.28Å; K818-L820 HydrophobicContact CG-CD2 4.32Å; L820-T825 WeakPolarHBondContact O-CG2 3.4Å | ||
| 821 | I | 79.5 | Confident | 87.4 | Confident | 54 Ų | 54 | 19 Ų | 19 | 28% | 0.277 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -142.5 | 138.6 | -174.5 | -50 | 172.6 | 0 | 0 | 0 | 109 | H786 G791 T819 T825 | H786-I821 HydrophobicContact CB-CD1 3.67Å; H786-I821 HydrophobicContact CB-CG1 4.39Å; G791-I821 PolarHBondContact O-N 2.79Å; T819-I821 WeakPolarHBondContact CG2-O 3.19Å; I821-T825 WeakPolarHBondContact CA-OG1 3.43Å |
| 822 | G | 77 | Confident | 87.9 | Confident | 12 Ų | 12 | 19 Ų | 19 | 12% | 0.124 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 127.9 | -172.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T825 | G822-T825 PolarHBondContact N-OG1 3.41Å; G822-T825 VanDerWaalsContact N-OG1 3.07Å; G822-T825 PolarHBondContact O-N 2.9Å; G822-T825 PolarHBondContact O-OG1 3.28Å |
| 823 | R | 78.1 | Confident | 88 | Confident | 99 Ų | 99 | 18 Ų | 18 | 37% | 0.374 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.6 | 170.6 | -72.9 | 170.5 | 165.8 | 123 | -15.6 | 111.2 | C774 D775 T825 | C774-R823 PolarHBondContact SG-NH1 3.12Å; D775-R823 WeakPolarHBondContact OD1-CD 3.45Å; D775-R823 VanDerWaalsContact OD1-CG 3.31Å; D775-R823 WeakPolarHBondContact OD1-CG 3.25Å; D775-R823 IonicContact OD1-CZ 3.81Å; D775-R823 IonicContact OD1-NE 2.95Å; D775-R823 IonicContact OD1-NH1 2.8Å; D775-R823 PolarHBondContact OD1-NH1 3.07Å; D775-R823 WeakPolarHBondContact OD2-CA 3.36Å; D775-R823 WeakPolarHBondContact OD2-CB 2.92Å; D775-R823 WeakPolarHBondContact OD2-CG 3.43Å; D775-R823 PolarHBondContact OD2-N 3.21Å; R823-T825 VanDerWaalsContact C-N 3.34Å; R823-T825 PolarHBondContact O-N 3.4Å |
| 824 | E | 84.7 | Confident | 87.6 | Confident | 19 Ų | 19 | 18.2 Ų | 18.2 | 9% | 0.089 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 29.3 | 178 | -59.4 | -56.3 | 144.7 | 0 | 0 | 113.1 | L11 K369 P772 T819 G826 R827 | L11-E824 HydrophobicContact CD1-CG 4.24Å; L11-E824 VanDerWaalsContact CD1-OE2 3.3Å; L11-E824 WeakPolarHBondContact CD1-OE2 3.48Å; K369-E824 WeakPolarHBondContact CE-OE2 3.46Å; K369-E824 IonicContact NZ-OE1 3.7Å; K369-E824 PolarHBondContact NZ-OE1 2.98Å; K369-E824 IonicContact NZ-OE2 3.02Å; K369-E824 PolarHBondContact NZ-OE2 2.72Å; P772-E824 HydrophobicContact CG-CG 4.4Å; T819-E824 WeakPolarHBondContact CB-O 3.33Å; T819-E824 WeakPolarHBondContact CG2-O 3.32Å; E824-G826 PolarHBondContact O-N 2.84Å; E824-R827 HydrophobicContact CB-CB 4Å; E824-R827 WeakPolarHBondContact O-CB 3.38Å; E824-R827 PolarHBondContact O-N 3.25Å |
| 825 | T | 84.7 | Confident | 86.8 | Confident | 66 Ų | 66 | 21.1 Ų | 21.1 | 41% | 0.405 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.7 | 176.5 | -61 | 0 | 0 | 0 | 0 | 109.6 | L820 I821 G822 R823 | L820-T825 WeakPolarHBondContact O-CG2 3.4Å; I821-T825 WeakPolarHBondContact CA-OG1 3.43Å; G822-T825 PolarHBondContact N-OG1 3.41Å; G822-T825 VanDerWaalsContact N-OG1 3.07Å; G822-T825 PolarHBondContact O-N 2.9Å; G822-T825 PolarHBondContact O-OG1 3.28Å; R823-T825 VanDerWaalsContact C-N 3.34Å; R823-T825 PolarHBondContact O-N 3.4Å |
| 826 | G | 83.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -12.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T819 E824 | T819-G826 PolarHBondContact O-N 2.85Å; E824-G826 PolarHBondContact O-N 2.84Å |
| 827 | R | 88.6 | Confident | 84.6 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 3% | 0.034 | 15% | 0.149 | C | C | . | . | trans | -59.8 | 136.6 | 173.9 | 175.9 | -174.3 | 167.2 | 161.4 | -0.6 | 111 | L11 D31 K818 T819 E824 D829 | L11-R827 VanDerWaalsContact CD1-NH1 3.32Å; D31-R827 IonicContact OD1-CZ 2.65Å; D31-R827 IonicContact OD1-NH1 3.68Å; D31-R827 PolarHBondContact OD1-NH1 2.88Å; D31-R827 IonicContact OD1-NH2 2.62Å; D31-R827 PolarHBondContact OD1-NH2 2.73Å; D31-R827 IonicContact OD2-CZ 3.29Å; D31-R827 IonicContact OD2-NH1 3.77Å; D31-R827 IonicContact OD2-NH2 3.12Å; D31-R827 PolarHBondContact OD2-NH2 3.44Å; K818-R827 WeakPolarHBondContact CA-O 3.47Å; T819-R827 PolarHBondContact N-O 3.19Å; E824-R827 HydrophobicContact CB-CB 4Å; E824-R827 WeakPolarHBondContact O-CB 3.38Å; E824-R827 PolarHBondContact O-N 3.25Å; R827-D829 IonicContact CZ-OD1 2.65Å; R827-D829 VanDerWaalsContact CZ-OD1 3.26Å; R827-D829 IonicContact CZ-OD2 3.87Å; R827-D829 IonicContact NE-OD1 3.7Å; R827-D829 PolarHBondContact NE-OD1 3.22Å; R827-D829 IonicContact NE-OD2 3.51Å; R827-D829 PolarHBondContact NE-OD2 2.68Å; R827-D829 IonicContact NH2-OD1 3.24Å; R827-D829 PolarHBondContact NH2-OD1 2.65Å; R827-D829 IonicContact NH2-OD2 3.17Å | ||
| 828 | Y | 90.4 | Very high | 83 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 9% | 0.09 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.8 | 169 | -72.2 | -75.2 | 0 | 0 | 0 | 111.2 | Q366 V795 L816 M817 K818 | Q366-Y828 PolarHBondContact NE2-O 2.89Å; V795-Y828 HydrophobicContact CG1-CE1 4.17Å; V795-Y828 HydrophobicContact CG2-CD1 4.1Å; V795-Y828 HydrophobicContact CG2-CE1 3.65Å; L816-Y828 HydrophobicContact CD1-CD1 4.22Å; L816-Y828 HydrophobicContact CD1-CG 4.44Å; L816-Y828 HydrophobicContact CD2-CD1 4.11Å; L816-Y828 HydrophobicContact CD2-CE1 4.46Å; L816-Y828 HydrophobicContact CG-CD1 3.87Å; M817-Y828 CarbonylContact O-C 3.46Å; M817-Y828 WeakPolarHBondContact O-CA 3.24Å; K818-Y828 HydrophobicContact CB-CD1 4.05Å; K818-Y828 HydrophobicContact CB-CE1 3.75Å; K818-Y828 HydrophobicContact CD-CE1 3.99Å; K818-Y828 HydrophobicContact CG-CD1 4.41Å; K818-Y828 HydrophobicContact CG-CE1 3.94Å |
| 829 | D | 91.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.9 | 172.2 | -75.5 | -44.6 | 0 | 0 | 0 | 110.5 | S9 M817 R827 | S9-D829 WeakPolarHBondContact OG-CA 3.48Å; S9-D829 WeakPolarHBondContact OG-CB 3.04Å; S9-D829 PolarHBondContact OG-OD1 2.88Å; M817-D829 HydrophobicContact CE-CB 3.89Å; M817-D829 PolarHBondContact N-O 3.48Å; M817-D829 PolarHBondContact O-N 2.93Å; R827-D829 IonicContact CZ-OD1 2.65Å; R827-D829 VanDerWaalsContact CZ-OD1 3.26Å; R827-D829 IonicContact CZ-OD2 3.87Å; R827-D829 IonicContact NE-OD1 3.7Å; R827-D829 PolarHBondContact NE-OD1 3.22Å; R827-D829 IonicContact NE-OD2 3.51Å; R827-D829 PolarHBondContact NE-OD2 2.68Å; R827-D829 IonicContact NH2-OD1 3.24Å; R827-D829 PolarHBondContact NH2-OD1 2.65Å; R827-D829 IonicContact NH2-OD2 3.17Å |
| 830 | L | 91.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.6 | 173 | -164.7 | 65.2 | 0 | 0 | 0 | 109 | R7 L8 S9 F364 L384 L403 M415 V814 L816 | R7-L830 CarbonylContact C-O 3.52Å; R7-L830 WeakPolarHBondContact CA-O 3.41Å; L8-L830 HydrophobicContact CB-CB 4.26Å; L8-L830 HydrophobicContact CB-CD2 4.17Å; L8-L830 HydrophobicContact CB-CG 4.31Å; L8-L830 HydrophobicContact CD1-CD2 4.33Å; L8-L830 PolarHBondContact N-O 2.94Å; S9-L830 PolarHBondContact OG-N 2.99Å; F364-L830 HydrophobicContact CE2-CB 4.15Å; F364-L830 HydrophobicContact CE2-CD2 4.31Å; F364-L830 HydrophobicContact CZ-CB 4.37Å; L384-L830 HydrophobicContact CD1-CD1 4.04Å; L403-L830 HydrophobicContact CD1-CD2 3.67Å; L403-L830 HydrophobicContact CD1-CG 4.46Å; M415-L830 HydrophobicContact CE-CD2 3.17Å; M415-L830 HydrophobicContact CE-CG 4.46Å; M415-L830 HydrophobicContact SD-CD2 3.82Å; V814-L830 HydrophobicContact CG1-CD1 3.37Å; V814-L830 HydrophobicContact CG1-CD2 4.48Å; V814-L830 HydrophobicContact CG1-CG 3.89Å; L816-L830 HydrophobicContact CD1-CD1 4.46Å |
| 831 | V | 92 | Very high | 76.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.5 | -176 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | V5 L768 F794 V814 G815 M817 Y833 | V5-V831 HydrophobicContact CG1-CG1 3.68Å; L768-V831 HydrophobicContact CD1-CB 4.11Å; L768-V831 HydrophobicContact CD1-CG1 3.33Å; L768-V831 HydrophobicContact CD1-CG2 3.6Å; F794-V831 HydrophobicContact CE1-CB 3.97Å; F794-V831 HydrophobicContact CE1-CG1 4.45Å; F794-V831 HydrophobicContact CE1-CG2 4.16Å; F794-V831 HydrophobicContact CZ-CB 4.21Å; F794-V831 HydrophobicContact CZ-CG1 4.24Å; F794-V831 HydrophobicContact CZ-CG2 4.31Å; V814-V831 CarbonylContact C-O 3.55Å; V814-V831 VanDerWaalsContact CA-O 3.27Å; V814-V831 WeakPolarHBondContact CA-O 3.2Å; G815-V831 PolarHBondContact N-O 2.7Å; G815-V831 PolarHBondContact O-N 2.87Å; M817-V831 HydrophobicContact CB-CG2 4Å; M817-V831 HydrophobicContact CE-CG2 4.1Å; M817-V831 HydrophobicContact SD-CG2 4.24Å; V831-Y833 HydrophobicContact CG1-CD2 4.05Å; V831-Y833 HydrophobicContact CG1-CE2 3.59Å |
| 832 | Y | 90.7 | Very high | 74.3 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.5 | 174.8 | 175.9 | -95.2 | 0 | 0 | 0 | 110.3 | V5 S6 L8 V417 I800 Q812 V814 G834 T835 R836 | V5-Y832 WeakPolarHBondContact CA-O 3.22Å; S6-Y832 PolarHBondContact N-O 2.77Å; S6-Y832 PolarHBondContact O-N 3.41Å; L8-Y832 HydrophobicContact CD1-CG 4.44Å; V417-Y832 HydrophobicContact CG1-CD2 3.99Å; V417-Y832 HydrophobicContact CG1-CE2 3.99Å; I800-Y832 HydrophobicContact CD1-CD2 3.9Å; I800-Y832 HydrophobicContact CD1-CE2 3.59Å; Q812-Y832 HydrophobicContact CB-CE2 4.38Å; Q812-Y832 WeakPolarHBondContact CG-OH 3.33Å; Q812-Y832 PolarHBondContact OE1-OH 2.87Å; V814-Y832 HydrophobicContact CG2-CD2 3.77Å; Y832-G834 WeakPolarHBondContact CE1-O 3.43Å; Y832-T835 PolarHBondContact OH-O 2.85Å; Y832-R836 HydrophobicContact CD1-CG 3.61Å; Y832-R836 HydrophobicContact CE1-CG 3.23Å; Y832-R836 HydrophobicContact CG-CG 4.49Å |
| 833 | Y | 89 | Confident | 72.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.7 | 168.9 | -64.9 | -90.7 | 0 | 0 | 0 | 107.9 | V5 L765 A766 F794 Q812 L813 V831 | V5-Y833 HydrophobicContact CB-CD1 4.26Å; V5-Y833 HydrophobicContact CB-CE1 4.29Å; V5-Y833 HydrophobicContact CG1-CD1 3.96Å; V5-Y833 HydrophobicContact CG1-CE1 3.76Å; V5-Y833 HydrophobicContact CG1-CG 4.48Å; V5-Y833 HydrophobicContact CG2-CD1 3.41Å; V5-Y833 VanDerWaalsContact CG2-CD1 3.41Å; V5-Y833 HydrophobicContact CG2-CE1 3.49Å; V5-Y833 VanDerWaalsContact CG2-CE1 3.49Å; V5-Y833 HydrophobicContact CG2-CG 4.46Å; L765-Y833 HydrophobicContact CB-CD1 4.06Å; L765-Y833 HydrophobicContact CB-CE1 3.73Å; L765-Y833 HydrophobicContact CD1-CD1 3.77Å; L765-Y833 HydrophobicContact CD1-CD2 4.01Å; L765-Y833 HydrophobicContact CD1-CE1 4.16Å; L765-Y833 HydrophobicContact CD1-CE2 4.36Å; L765-Y833 HydrophobicContact CD1-CG 3.71Å; L765-Y833 HydrophobicContact CD2-CD1 4.07Å; L765-Y833 HydrophobicContact CG-CD1 4.19Å; L765-Y833 HydrophobicContact CG-CE1 4.37Å; A766-Y833 PolarHBondContact O-OH 3Å; A766-Y833 VanDerWaalsContact O-OH 3.13Å; F794-Y833 HydrophobicContact CE1-CE2 4.28Å; F794-Y833 HydrophobicContact CE2-CE2 4.37Å; F794-Y833 AromaticContact CZ-CE2 3.7Å; F794-Y833 HydrophobicContact CZ-CE2 3.7Å; F794-Y833 AromaticContact CZ-CZ 3.99Å; F794-Y833 WeakPolarHBondContact CZ-OH 3.33Å; Q812-Y833 CarbonylContact C-O 3.59Å; Q812-Y833 VanDerWaalsContact CA-O 3.3Å; Q812-Y833 WeakPolarHBondContact CA-O 3.19Å; L813-Y833 PolarHBondContact N-O 3.2Å; L813-Y833 PolarHBondContact O-N 2.87Å; V831-Y833 HydrophobicContact CG1-CD2 4.05Å; V831-Y833 HydrophobicContact CG1-CE2 3.59Å |
| 834 | G | 84 | Confident | 69.6 | Low | 5 Ų | 5 | 62 Ų | 62 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 144.7 | -177.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | K4 Y832 | K4-G834 PolarHBondContact O-N 2.87Å; Y832-G834 WeakPolarHBondContact CE1-O 3.43Å |
| 835 | T | 76.7 | Confident | 66.6 | Low | 61 Ų | 61 | 70.1 Ų | 70.1 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | trans | -102.5 | 125.6 | 172.8 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | K4 H810 Y832 | K4-T835 HydrophobicContact CD-CG2 4.26Å; H810-T835 PolarHBondContact CE1-OG1 2.75Å; H810-T835 VanDerWaalsContact CE1-OG1 3.23Å; H810-T835 PolarHBondContact NE2-OG1 2.76Å; H810-T835 VanDerWaalsContact NE2-OG1 3.09Å; Y832-T835 PolarHBondContact OH-O 2.85Å | ||
| 836 | R | 73.1 | Confident | 63.6 | Low | 58 Ų | 58 | 72.5 Ų | 72.5 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | trans | -96.5 | 134.6 | 177.6 | -60.5 | -174.7 | -76 | 156.2 | -1.4 | 111.2 | S6 L8 Y832 Q838 | S6-R836 VanDerWaalsContact CB-NH2 3.29Å; S6-R836 PolarHBondContact OG-NE 2.96Å; S6-R836 VanDerWaalsContact OG-NE 3.12Å; S6-R836 PolarHBondContact OG-NH2 3.09Å; L8-R836 VanDerWaalsContact CD2-CZ 3.49Å; Y832-R836 HydrophobicContact CD1-CG 3.61Å; Y832-R836 HydrophobicContact CE1-CG 3.23Å; Y832-R836 HydrophobicContact CG-CG 4.49Å; R836-Q838 HydrophobicContact CB-CG 4.28Å; R836-Q838 PolarHBondContact O-N 2.99Å | ||
| 837 | K | 66.3 | Low | 60.7 | Low | 152 Ų | 152 | 78.9 Ų | 78.9 | 66% | 0.661 | 40% | 0.399 | S | S | * | . | trans | -84.5 | 103.8 | 161.1 | -67.3 | -176.6 | -176.5 | 177.7 | 0 | 107.4 | L398 | L398-K837 WeakPolarHBondContact CD2-O 3.43Š| ||
| 838 | Q | 59.1 | Low | 57.8 | Low | 80 Ų | 80 | 88.2 Ų | 88.2 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 117.5 | 178.6 | -64.6 | -176.5 | -25 | 0 | 0 | 109.7 | R420 R836 Q840 | R420-Q838 HydrophobicContact CG-CB 4.17Å; R420-Q838 HydrophobicContact CG-CG 4.37Å; R420-Q838 PolarHBondContact NH2-O 2.73Å; R836-Q838 HydrophobicContact CB-CG 4.28Å; R836-Q838 PolarHBondContact O-N 2.99Å; Q838-Q840 PolarHBondContact O-N 2.57Å |
| 839 | A | 50.9 | Low | 54.7 | Low | 55 Ų | 55 | 94.7 Ų | 94.7 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 126.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L398 R420 | L398-A839 HydrophobicContact CD1-CB 3.96Å; L398-A839 HydrophobicContact CD2-CB 4.2Å; R420-A839 PolarHBondContact NE-O 3.19Å; R420-A839 PolarHBondContact NH2-O 3.13Å; R420-A839 VanDerWaalsContact NH2-O 3.14Å |
| 840 | Q | 40.5 | Very low | 51.4 | Low | 158 Ų | 158 | 103 Ų | 103 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 123.1 | 168.1 | -84.7 | 178.5 | -31.6 | 0 | 0 | 107.9 | Q838 N842 | Q838-Q840 PolarHBondContact O-N 2.57Å; Q840-N842 PolarHBondContact O-N 3.37Å |
| 841 | K | 40.1 | Very low | 48 | Very low | 122 Ų | 122 | 109.7 Ų | 109.7 | 53% | 0.53 | 55% | 0.547 | S | S | . | . | trans | -64.9 | 102.4 | 164.6 | -80.6 | -178.6 | 175.2 | 176.4 | 0 | 106.8 | E421 L843 | E421-K841 IonicContact OE1-NZ 3.06Å; E421-K841 PolarHBondContact OE1-NZ 3.18Å; K841-L843 PolarHBondContact O-N 2.81Å | ||
| 842 | N | 27.6 | Very low | 44.7 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 77% | 0.77 | 59% | 0.588 | S | S | * | * | trans | -69.5 | 114 | 166.2 | -88.9 | -26 | 0 | 0 | 0 | 107.9 | Q840 K844 | Q840-N842 PolarHBondContact O-N 3.37Å; N842-K844 VanDerWaalsContact C-N 3.29Å; N842-K844 PolarHBondContact O-N 3.42Å | ||
| 843 | L | 30.2 | Very low | 41.5 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 84% | 0.838 | 62% | 0.622 | S | S | * | * | trans | -65.3 | 86.4 | 170.1 | -76.2 | 132.4 | 0 | 0 | 0 | 108.5 | K841 | K841-L843 PolarHBondContact O-N 2.81Š| ||
| 844 | K | 25.9 | Very low | 38.4 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.796 | 66% | 0.66 | S | S | * | * | trans | -84.3 | 112.5 | 159.5 | -82.6 | -174.6 | 175.3 | 179.7 | 0 | 106.9 | N842 T846 | N842-K844 VanDerWaalsContact C-N 3.29Å; N842-K844 PolarHBondContact O-N 3.42Å; K844-T846 VanDerWaalsContact C-N 3.3Å; K844-T846 PolarHBondContact O-N 3.07Å | ||
| 845 | E | 22.4 | Very low | 35.6 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | -56.5 | 89.6 | 171.9 | -70.4 | 176.9 | 154.5 | 0 | 0 | 109.7 | T847 | E845-T847 PolarHBondContact O-N 2.82Š| ||
| 846 | T | 22.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -90.4 | 91.5 | 165.7 | 39.4 | 0 | 0 | 0 | 0 | 108.4 | K844 R848 | K844-T846 VanDerWaalsContact C-N 3.3Å; K844-T846 PolarHBondContact O-N 3.07Å; T846-R848 PolarHBondContact O-N 3.17Å | ||
| 847 | T | 22.6 | Very low | 31 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -57.8 | 98.4 | 158.5 | 37.2 | 0 | 0 | 0 | 0 | 108.9 | E845 | E845-T847 PolarHBondContact O-N 2.82Š| ||
| 848 | R | 25.8 | Very low | 29.5 | Very low | 205 Ų | 205 | 150.4 Ų | 150.4 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | -141.6 | 150.6 | 171.4 | -75.6 | -163.1 | 177.8 | -169.3 | -0.2 | 113.2 | T846 | T846-R848 PolarHBondContact O-N 3.17Š| ||
| 849 | L | 25.6 | Very low | 28.3 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -62 | 148.6 | -164.1 | -72.4 | 132.6 | 0 | 0 | 0 | 114.6 | M851 | L849-M851 PolarHBondContact O-N 3.45Š| ||
| 850 | N | 22.6 | Very low | 27.7 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | trans | -35.2 | 101.8 | 167.4 | -72.4 | -21.4 | 0 | 0 | 0 | 112.7 | ||||
| 851 | M | 21.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | -119.8 | 127.3 | 164.1 | -68.8 | -163.8 | 72.9 | 0 | 0 | 108.9 | L849 | L849-M851 PolarHBondContact O-N 3.45Š| ||
| 852 | Q | 22.6 | Very low | 27.5 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | trans | -69.5 | 143.9 | 172.7 | -73.3 | -179.8 | -18.9 | 0 | 0 | 109.9 | K854 | Q852-K854 PolarHBondContact O-N 3.46Š| ||
| 853 | P | 23.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | trans | -58.5 | 127.9 | 176.4 | 22.6 | -31.3 | 0 | 0 | 0 | 110.4 | Q855 | P853-Q855 PolarHBondContact O-N 2.81Å; P853-Q855 VanDerWaalsContact O-N 3.08Å | ||
| 854 | K | 22.6 | Very low | 28 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 81% | 0.809 | 70% | 0.7 | S | S | * | * | trans | -62.4 | 111.4 | 173.1 | -82.4 | -175.9 | 176.6 | 177.8 | 0 | 108.9 | Q852 R856 | Q852-K854 PolarHBondContact O-N 3.46Å; K854-R856 PolarHBondContact O-N 3.27Å | ||
| 855 | Q | 26.4 | Very low | 28.1 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -60.5 | 103.3 | 171.2 | -82.7 | 174.5 | -47.9 | 0 | 0 | 110.2 | P853 | P853-Q855 PolarHBondContact O-N 2.81Å; P853-Q855 VanDerWaalsContact O-N 3.08Å | ||
| 856 | R | 25.5 | Very low | 28.4 | Very low | 246 Ų | 246 | 131.4 Ų | 131.4 | 93% | 0.928 | 68% | 0.684 | S | S | * | * | trans | -91.9 | 83.6 | 148.9 | -83.4 | -173.2 | 174.1 | 172.8 | 1 | 107.2 | K854 L858 | K854-R856 PolarHBondContact O-N 3.27Å; R856-L858 PolarHBondContact O-N 3.38Å | ||
| 857 | S | 27.1 | Very low | 28.8 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | trans | -73.4 | 90.6 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | L859 | S857-L859 PolarHBondContact O-N 2.93Å; S857-L859 PolarHBondContact OG-O 3.47Å | ||
| 858 | L | 35.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -74.8 | -9.6 | 164.5 | -122.9 | 150.6 | 0 | 0 | 0 | 111.4 | R856 | R856-L858 PolarHBondContact O-N 3.38Š|
| 859 | L | 33.1 | Very low | 29.5 | Very low | 38 Ų | 38 | 129 Ų | 129 | 20% | 0.199 | 68% | 0.679 | C | S | . | * | S | Bend | trans | -120.7 | 96.7 | -177.2 | -61.7 | 172 | 0 | 0 | 0 | 109.3 | L318 H320 I357 S857 | L318-L859 HydrophobicContact CD1-CB 4.21Å; H320-L859 HydrophobicContact CB-CD2 3.49Å; H320-L859 VanDerWaalsContact CB-CD2 3.49Å; H320-L859 VanDerWaalsContact O-CD2 3.29Å; H320-L859 WeakPolarHBondContact O-CD2 3.29Å; I357-L859 HydrophobicContact CD1-CD1 3.6Å; S857-L859 PolarHBondContact O-N 2.93Å; S857-L859 PolarHBondContact OG-O 3.47Å |
| 860 | Q | 38 | Very low | 29.6 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -86.4 | 133.3 | 177 | -162.7 | 168.9 | 6.9 | 0 | 0 | 110.1 | ||||
| 861 | L | 35.2 | Very low | 29.9 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 34% | 0.335 | 67% | 0.671 | S | S | . | * | trans | -63.5 | 135.1 | 173.8 | -164.2 | 79.8 | 0 | 0 | 0 | 109.9 | F355 | F355-L861 HydrophobicContact CB-CD1 4.11Å; F355-L861 HydrophobicContact CD2-CD1 4Å | ||
| 862 | V | 41.5 | Very low | 30.4 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 45% | 0.448 | 67% | 0.673 | S | S | . | * | B | Isolated β-bridge | trans | -109.2 | 112.6 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | F317 | F317-V862 HydrophobicContact CE2-CB 4.17Å; F317-V862 HydrophobicContact CZ-CB 4.06Å; F317-V862 HydrophobicContact CZ-CG1 4.06Å |
| 863 | D | 34.1 | Very low | 30.9 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.9 | 172.7 | -76.9 | -30.5 | 0 | 0 | 0 | 110.7 | A865 | D863-A865 PolarHBondContact O-N 2.96Š|
| 864 | T | 33.6 | Very low | 31.3 | Very low | 58 Ų | 58 | 131.3 Ų | 131.3 | 36% | 0.356 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 125.8 | 169.1 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | R315 F317 S866 | R315-T864 HydrophobicContact CG-CG2 4.35Å; R315-T864 WeakPolarHBondContact O-CG2 3.29Å; R315-T864 PolarHBondContact O-OG1 2.92Å; F317-T864 HydrophobicContact CD1-CG2 4.36Å; F317-T864 HydrophobicContact CE1-CG2 3.88Å; T864-S866 PolarHBondContact O-N 2.97Å |
| 865 | A | 29 | Very low | 31.8 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D863 | D863-A865 PolarHBondContact O-N 2.96Š|
| 866 | S | 28.3 | Very low | 32.2 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 141.2 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | T864 V868 | T864-S866 PolarHBondContact O-N 2.97Å; S866-V868 PolarHBondContact O-N 2.97Å |
| 867 | P | 30.5 | Very low | 32.6 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -61.6 | 110.5 | 170.9 | 24.7 | -31.1 | 0 | 0 | 0 | 109.1 | K869 | P867-K869 PolarHBondContact O-N 3Š| ||
| 868 | V | 32.5 | Very low | 32.7 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | trans | -73.6 | 121.4 | -178.7 | 179 | 0 | 0 | 0 | 0 | 108.7 | S866 | S866-V868 PolarHBondContact O-N 2.97Š| ||
| 869 | K | 30.7 | Very low | 32.6 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | -66.3 | 128.5 | 168.1 | -71.7 | -178.4 | 176.1 | 179.9 | 0 | 108.9 | P867 D871 | P867-K869 PolarHBondContact O-N 3Å; K869-D871 PolarHBondContact O-N 2.88Å | ||
| 870 | F | 27.3 | Very low | 32.8 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | trans | -63.7 | 102.8 | 172.2 | -89.1 | -94.6 | 0 | 0 | 0 | 109.8 | ||||
| 871 | D | 30.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | trans | -103.9 | 108.8 | 163.7 | -88.2 | -24 | 0 | 0 | 0 | 109.2 | K869 H873 | K869-D871 PolarHBondContact O-N 2.88Å; D871-H873 PolarHBondContact O-N 2.93Å | ||
| 872 | N | 30.2 | Very low | 33.3 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -76.5 | 21.8 | -172.7 | -84.4 | -18.5 | 0 | 0 | 0 | 115.2 | ||||
| 873 | H | 33 | Very low | 33.9 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -138 | 61.5 | -167.6 | -67.4 | -45.2 | 0 | 0 | 0 | 114.8 | D871 | D871-H873 PolarHBondContact O-N 2.93Š| ||
| 874 | I | 34 | Very low | 35.1 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -132.8 | 111.5 | 160.1 | -55.7 | -179.4 | 0 | 0 | 0 | 110.3 | A876 | I874-A876 PolarHBondContact O-N 2.92Š| ||
| 875 | R | 31.5 | Very low | 36.6 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -62.7 | 125.6 | 172.7 | -82.9 | 175.5 | 169.1 | 171.2 | -3.8 | 110 | N877 | R875-N877 PolarHBondContact O-N 2.84Å; R875-N877 VanDerWaalsContact O-N 3.16Å | ||
| 876 | A | 36.2 | Very low | 38 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | trans | -66.4 | 104.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I874 K878 | I874-A876 PolarHBondContact O-N 2.92Å; A876-K878 PolarHBondContact O-N 3.35Å | ||
| 877 | N | 32.7 | Very low | 39.6 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -82.8 | 108.2 | 164.1 | -87.9 | -20.3 | 0 | 0 | 0 | 108.8 | R875 R879 | R875-N877 PolarHBondContact O-N 2.84Å; R875-N877 VanDerWaalsContact O-N 3.16Å; N877-R879 PolarHBondContact O-N 2.95Å | ||
| 878 | K | 29.8 | Very low | 41.3 | Very low | 212 Ų | 212 | 142.5 Ų | 142.5 | 92% | 0.922 | 70% | 0.695 | S | S | * | * | trans | -63.8 | 88.2 | 177.2 | -67.9 | 179.2 | 176.2 | -179.2 | 0 | 110.9 | A876 | A876-K878 PolarHBondContact O-N 3.35Š| ||
| 879 | R | 32.5 | Very low | 42.9 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | -81.3 | 116.2 | 161.3 | -80.6 | -176.1 | 174.8 | 172.8 | -1.3 | 107.9 | N877 L881 | N877-R879 PolarHBondContact O-N 2.95Å; R879-L881 PolarHBondContact O-N 3.23Å; R879-L881 VanDerWaalsContact O-N 3.11Å | ||
| 880 | K | 37.1 | Very low | 44.3 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 93% | 0.926 | 65% | 0.654 | S | S | * | * | trans | -60.7 | 106.7 | 163.5 | -83.5 | -179.4 | 170.6 | -177.1 | 0 | 107.1 | ||||
| 881 | L | 38.8 | Very low | 46.1 | Very low | 106 Ų | 106 | 129 Ų | 129 | 56% | 0.555 | 64% | 0.636 | S | S | * | * | trans | -121.8 | 139.1 | 177.6 | -145.7 | 79 | 0 | 0 | 0 | 107.8 | R879 S883 | R879-L881 PolarHBondContact O-N 3.23Å; R879-L881 VanDerWaalsContact O-N 3.11Å; L881-S883 VanDerWaalsContact C-N 3.31Å; L881-S883 PolarHBondContact O-N 2.82Å | ||
| 882 | D | 45.7 | Very low | 47.8 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | trans | -54.9 | 86.5 | -177.9 | -76 | -38.3 | 0 | 0 | 0 | 111.7 | D884 | D882-D884 PolarHBondContact O-N 2.96Š| ||
| 883 | S | 54.2 | Low | 49.3 | Very low | 52 Ų | 52 | 126 Ų | 126 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.2 | -32.9 | -169.8 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | L881 L887 | L881-S883 VanDerWaalsContact C-N 3.31Å; L881-S883 PolarHBondContact O-N 2.82Å; S883-L887 WeakPolarHBondContact O-CB 3.32Å; S883-L887 PolarHBondContact O-N 3.15Å |
| 884 | D | 59.8 | Low | 50.5 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -80.5 | -43.3 | -161.6 | -62.8 | -1 | 0 | 0 | 0 | 111.7 | D882 L887 E888 | D882-D884 PolarHBondContact O-N 2.96Å; D884-L887 PolarHBondContact O-N 3.48Å; D884-E888 WeakPolarHBondContact O-CB 3.37Å; D884-E888 PolarHBondContact O-N 3.48Å |
| 885 | I | 64.2 | Low | 51.8 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -38.3 | 178.4 | -65.9 | 168 | 0 | 0 | 0 | 110.9 | E888 N889 | I885-E888 PolarHBondContact O-N 2.89Å; I885-N889 PolarHBondContact O-N 3.15Å; I885-N889 PolarHBondContact O-ND2 3.36Å |
| 886 | Q | 59.2 | Low | 53.1 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 36% | 0.36 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.6 | -40.2 | 177.7 | -69.8 | -168.5 | -4.5 | 0 | 0 | 111.7 | E888 N889 T890 | Q886-E888 VanDerWaalsContact C-N 3.34Å; Q886-N889 PolarHBondContact O-N 2.94Å; Q886-T890 WeakPolarHBondContact O-CB 3.16Å; Q886-T890 PolarHBondContact O-N 2.88Å; Q886-T890 PolarHBondContact O-OG1 2.99Å |
| 887 | L | 61.4 | Low | 53.6 | Low | 60 Ų | 60 | 111.3 Ų | 111.3 | 31% | 0.314 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 173.2 | -179.3 | 69.8 | 0 | 0 | 0 | 110.7 | S883 D884 N889 T890 L891 L912 H916 | S883-L887 WeakPolarHBondContact O-CB 3.32Å; S883-L887 PolarHBondContact O-N 3.15Å; D884-L887 PolarHBondContact O-N 3.48Å; L887-N889 PolarHBondContact O-N 3.09Å; L887-T890 PolarHBondContact O-N 3.44Å; L887-L891 HydrophobicContact CD1-CD1 4.36Å; L887-L891 HydrophobicContact CG-CD1 3.97Å; L887-L891 WeakPolarHBondContact O-CB 3.38Å; L887-L891 WeakPolarHBondContact O-CG 3.37Å; L887-L891 PolarHBondContact O-N 3.26Å; L887-L912 HydrophobicContact CD1-CD2 3.76Å; L887-H916 WeakPolarHBondContact CD1-NE2 3.4Å |
| 888 | E | 66.7 | Low | 54.3 | Low | 100 Ų | 100 | 106.6 Ų | 106.6 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.8 | -157.8 | -165.5 | 151.9 | 0 | 0 | 111.9 | D884 I885 Q886 T890 L891 K892 | D884-E888 WeakPolarHBondContact O-CB 3.37Å; D884-E888 PolarHBondContact O-N 3.48Å; I885-E888 PolarHBondContact O-N 2.89Å; Q886-E888 VanDerWaalsContact C-N 3.34Å; E888-T890 VanDerWaalsContact C-N 3.32Å; E888-T890 PolarHBondContact O-N 3.33Å; E888-L891 PolarHBondContact O-N 2.93Å; E888-K892 WeakPolarHBondContact O-CG 3.34Å; E888-K892 PolarHBondContact O-N 2.89Å; E888-K892 WeakPolarHBondContact OE1-CE 3.49Å; E888-K892 IonicContact OE1-NZ 2.99Å; E888-K892 PolarHBondContact OE1-NZ 3.46Å |
| 889 | N | 65 | Low | 55.1 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 175.7 | -75.4 | -23.8 | 0 | 0 | 0 | 112.5 | I885 Q886 L887 K892 Q893 | I885-N889 PolarHBondContact O-N 3.15Å; I885-N889 PolarHBondContact O-ND2 3.36Å; Q886-N889 PolarHBondContact O-N 2.94Å; L887-N889 PolarHBondContact O-N 3.09Å; N889-K892 PolarHBondContact O-N 2.83Å; N889-Q893 PolarHBondContact O-N 3.39Å |
| 890 | T | 60.9 | Low | 55.6 | Low | 10 Ų | 10 | 100.9 Ų | 100.9 | 6% | 0.061 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -72.2 | -40 | 178.4 | -43.4 | 0 | 0 | 0 | 0 | 110.6 | Q886 L887 E888 Q893 I894 L912 | Q886-T890 WeakPolarHBondContact O-CB 3.16Å; Q886-T890 PolarHBondContact O-N 2.88Å; Q886-T890 PolarHBondContact O-OG1 2.99Å; L887-T890 PolarHBondContact O-N 3.44Å; E888-T890 VanDerWaalsContact C-N 3.32Å; E888-T890 PolarHBondContact O-N 3.33Å; T890-Q893 PolarHBondContact O-N 2.74Å; T890-I894 HydrophobicContact CG2-CD1 4.22Å; T890-I894 WeakPolarHBondContact O-CD1 3.43Å; T890-I894 VanDerWaalsContact O-CG1 3.24Å; T890-I894 WeakPolarHBondContact O-CG1 3.25Å; T890-I894 PolarHBondContact O-N 3.06Å; T890-L912 HydrophobicContact CG2-CD2 4.31Å |
| 891 | L | 64.5 | Low | 56 | Low | 89 Ų | 89 | 94.7 Ų | 94.7 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 172.6 | -77 | 166.7 | 0 | 0 | 0 | 112.1 | L887 E888 I894 S895 | L887-L891 HydrophobicContact CD1-CD1 4.36Å; L887-L891 HydrophobicContact CG-CD1 3.97Å; L887-L891 WeakPolarHBondContact O-CB 3.38Å; L887-L891 WeakPolarHBondContact O-CG 3.37Å; L887-L891 PolarHBondContact O-N 3.26Å; E888-L891 PolarHBondContact O-N 2.93Å; L891-I894 PolarHBondContact O-N 3.29Å; L891-S895 WeakPolarHBondContact O-CB 3.35Å; L891-S895 PolarHBondContact O-N 3.02Å; L891-S895 PolarHBondContact O-OG 2.9Å |
| 892 | K | 65.9 | Low | 56.5 | Low | 102 Ų | 102 | 92 Ų | 92 | 44% | 0.443 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 172.4 | -79.9 | 175.3 | -175.6 | 156.6 | 0 | 111.3 | E888 N889 I894 S895 E896 | E888-K892 WeakPolarHBondContact O-CG 3.34Å; E888-K892 PolarHBondContact O-N 2.89Å; E888-K892 WeakPolarHBondContact OE1-CE 3.49Å; E888-K892 IonicContact OE1-NZ 2.99Å; E888-K892 PolarHBondContact OE1-NZ 3.46Å; N889-K892 PolarHBondContact O-N 2.83Å; K892-I894 VanDerWaalsContact C-N 3.29Å; K892-I894 PolarHBondContact O-N 3.13Å; K892-S895 PolarHBondContact O-N 3.04Å; K892-S895 VanDerWaalsContact O-N 3.16Å; K892-S895 PolarHBondContact O-OG 2.97Å; K892-E896 PolarHBondContact O-N 2.81Å |
| 893 | Q | 62.7 | Low | 56.8 | Low | 117 Ų | 117 | 86.5 Ų | 86.5 | 55% | 0.547 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 174.9 | -77.4 | -175.9 | -24.5 | 0 | 0 | 112.9 | N889 T890 E896 | N889-Q893 PolarHBondContact O-N 3.39Å; T890-Q893 PolarHBondContact O-N 2.74Å; Q893-E896 PolarHBondContact O-N 3.46Å |
| 894 | I | 57.9 | Low | 57.1 | Low | 33 Ų | 33 | 87.7 Ų | 87.7 | 17% | 0.169 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 177.7 | -66.9 | 159.5 | 0 | 0 | 0 | 111.1 | T890 L891 K892 E896 Y897 V908 L912 | T890-I894 HydrophobicContact CG2-CD1 4.22Å; T890-I894 WeakPolarHBondContact O-CD1 3.43Å; T890-I894 VanDerWaalsContact O-CG1 3.24Å; T890-I894 WeakPolarHBondContact O-CG1 3.25Å; T890-I894 PolarHBondContact O-N 3.06Å; L891-I894 PolarHBondContact O-N 3.29Å; K892-I894 VanDerWaalsContact C-N 3.29Å; K892-I894 PolarHBondContact O-N 3.13Å; I894-E896 PolarHBondContact O-N 2.7Å; I894-Y897 WeakPolarHBondContact O-CB 3.38Å; I894-Y897 WeakPolarHBondContact O-CD2 3.27Å; I894-Y897 PolarHBondContact O-N 2.9Å; I894-Y897 VanDerWaalsContact O-N 3.11Å; I894-V908 HydrophobicContact CD1-CG1 3.69Å; I894-V908 HydrophobicContact CG1-CG1 4.13Å; I894-V908 HydrophobicContact CG2-CG1 4Å; I894-L912 HydrophobicContact CD1-CD1 4.3Å; I894-L912 HydrophobicContact CD1-CD2 4Å; I894-L912 HydrophobicContact CD1-CG 4.02Å |
| 895 | S | 61.3 | Low | 56.8 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 63% | 0.629 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.7 | -20.2 | 178.6 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | L891 K892 Y897 | L891-S895 WeakPolarHBondContact O-CB 3.35Å; L891-S895 PolarHBondContact O-N 3.02Å; L891-S895 PolarHBondContact O-OG 2.9Å; K892-S895 PolarHBondContact O-N 3.04Å; K892-S895 VanDerWaalsContact O-N 3.16Å; K892-S895 PolarHBondContact O-OG 2.97Å; S895-Y897 VanDerWaalsContact C-N 3.28Å |
| 896 | E | 59.3 | Low | 56.6 | Low | 154 Ų | 154 | 88 Ų | 88 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14 | 173.8 | -71.9 | 177.2 | -177.8 | 0 | 0 | 112.8 | K892 Q893 I894 P898 | K892-E896 PolarHBondContact O-N 2.81Å; Q893-E896 PolarHBondContact O-N 3.46Å; I894-E896 PolarHBondContact O-N 2.7Å; E896-P898 VanDerWaalsContact O-CD 3.27Å; E896-P898 WeakPolarHBondContact O-CD 3.44Å |
| 897 | Y | 46.8 | Very low | 56.8 | Low | 94 Ų | 94 | 88.7 Ų | 88.7 | 37% | 0.369 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -69.5 | 125 | 172.8 | -71.6 | -67.2 | 0 | 0 | 0 | 110.4 | I894 S895 I899 P903 | I894-Y897 WeakPolarHBondContact O-CB 3.38Å; I894-Y897 WeakPolarHBondContact O-CD2 3.27Å; I894-Y897 PolarHBondContact O-N 2.9Å; I894-Y897 VanDerWaalsContact O-N 3.11Å; S895-Y897 VanDerWaalsContact C-N 3.28Å; Y897-I899 PolarHBondContact O-N 3.44Å; Y897-P903 HydrophobicContact CE1-CG 4.45Å; Y897-P903 HydrophobicContact CE2-CG 4.08Å |
| 898 | P | 46.6 | Very low | 56.7 | Low | 55 Ų | 55 | 87 Ų | 87 | 36% | 0.357 | 46% | 0.457 | S | S | . | . | trans | -52.8 | 138.6 | 164 | -19.9 | 26.4 | 0 | 0 | 0 | 110.1 | E896 Y900 T901 A902 | E896-P898 VanDerWaalsContact O-CD 3.27Å; E896-P898 WeakPolarHBondContact O-CD 3.44Å; P898-Y900 PolarHBondContact O-N 3.45Å; P898-T901 WeakPolarHBondContact CB-OG1 2.96Å; P898-T901 WeakPolarHBondContact CD-OG1 3.31Å; P898-T901 VanDerWaalsContact CG-OG1 3.31Å; P898-T901 WeakPolarHBondContact CG-OG1 3.31Å; P898-T901 PolarHBondContact O-N 3.27Å; P898-T901 PolarHBondContact O-OG1 3.24Å; P898-A902 PolarHBondContact O-N 3.19Å | ||
| 899 | I | 46 | Very low | 56.5 | Low | 149 Ų | 149 | 86.8 Ų | 86.8 | 76% | 0.764 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -29 | -173.5 | -68.5 | 168.6 | 0 | 0 | 0 | 113.6 | Y897 | Y897-I899 PolarHBondContact O-N 3.44Š|
| 900 | Y | 42.9 | Very low | 56.3 | Low | 168 Ų | 168 | 88.4 Ų | 88.4 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -5 | -177.5 | -55.9 | -71.3 | 0 | 0 | 0 | 115.2 | I435 P898 | I435-Y900 HydrophobicContact CD1-CD2 4.41Å; P898-Y900 PolarHBondContact O-N 3.45Å |
| 901 | T | 46.5 | Very low | 56.2 | Low | 83 Ų | 83 | 91.5 Ų | 91.5 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 7.9 | 175.3 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | P898 | P898-T901 WeakPolarHBondContact CB-OG1 2.96Å; P898-T901 WeakPolarHBondContact CD-OG1 3.31Å; P898-T901 VanDerWaalsContact CG-OG1 3.31Å; P898-T901 WeakPolarHBondContact CG-OG1 3.31Å; P898-T901 PolarHBondContact O-N 3.27Å; P898-T901 PolarHBondContact O-OG1 3.24Å |
| 902 | A | 48.1 | Very low | 55.8 | Low | 48 Ų | 48 | 89 Ų | 89 | 40% | 0.397 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -59.1 | 138.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P898 | P898-A902 PolarHBondContact O-N 3.19Š|
| 903 | P | 53.9 | Low | 55.7 | Low | 19 Ų | 19 | 89.3 Ų | 89.3 | 12% | 0.123 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 150.5 | 169.6 | -17.9 | 27.7 | 0 | 0 | 0 | 110.1 | Y897 Q907 V908 | Y897-P903 HydrophobicContact CE1-CG 4.45Å; Y897-P903 HydrophobicContact CE2-CG 4.08Å; P903-Q907 HydrophobicContact CB-CB 3.97Å; P903-Q907 HydrophobicContact CB-CG 4.12Å; P903-V908 HydrophobicContact CB-CG2 3.87Å; P903-V908 HydrophobicContact CG-CG2 4.11Å; P903-V908 WeakPolarHBondContact O-CG2 3.43Å |
| 904 | P | 58.5 | Low | 55.4 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 149.2 | 174.8 | 17.7 | -29.3 | 0 | 0 | 0 | 111.2 | D906 Q907 V908 | P904-D906 PolarHBondContact O-N 3.2Å; P904-Q907 HydrophobicContact CG-CB 4.07Å; P904-Q907 WeakPolarHBondContact O-CA 3.39Å; P904-Q907 WeakPolarHBondContact O-CB 3.39Å; P904-Q907 PolarHBondContact O-N 3.48Å; P904-V908 PolarHBondContact O-N 3.16Å; P904-V908 VanDerWaalsContact O-N 3.17Å |
| 905 | P | 54.4 | Low | 54.8 | Low | 108 Ų | 108 | 97 Ų | 97 | 70% | 0.701 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -51.4 | -38.3 | -172.1 | -26.5 | 32.5 | 0 | 0 | 0 | 113.3 | Q907 V908 L909 | P905-Q907 VanDerWaalsContact C-N 3.32Å; P905-Q907 PolarHBondContact O-N 2.95Å; P905-V908 PolarHBondContact O-N 3.26Å; P905-L909 VanDerWaalsContact O-CB 3.27Å; P905-L909 WeakPolarHBondContact O-CB 3.33Å; P905-L909 PolarHBondContact O-N 2.94Å |
| 906 | D | 60.4 | Low | 53.9 | Low | 128 Ų | 128 | 99.8 Ų | 99.8 | 68% | 0.684 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -38.5 | 177.9 | -62.1 | -26.1 | 0 | 0 | 0 | 112.2 | P904 H910 | P904-D906 PolarHBondContact O-N 3.2Å; D906-H910 VanDerWaalsContact O-CB 3.24Å; D906-H910 WeakPolarHBondContact O-CB 3.39Å; D906-H910 PolarHBondContact O-N 2.9Å |
| 907 | Q | 62.3 | Low | 53.6 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.3 | -36.9 | 180 | -166.4 | 175.9 | 9.9 | 0 | 0 | 111.7 | P903 P904 P905 H910 Q911 | P903-Q907 HydrophobicContact CB-CB 3.97Å; P903-Q907 HydrophobicContact CB-CG 4.12Å; P904-Q907 HydrophobicContact CG-CB 4.07Å; P904-Q907 WeakPolarHBondContact O-CA 3.39Å; P904-Q907 WeakPolarHBondContact O-CB 3.39Å; P904-Q907 PolarHBondContact O-N 3.48Å; P905-Q907 VanDerWaalsContact C-N 3.32Å; P905-Q907 PolarHBondContact O-N 2.95Å; Q907-H910 PolarHBondContact O-N 3.5Å; Q907-Q911 WeakPolarHBondContact O-CG 3.49Å; Q907-Q911 PolarHBondContact O-N 2.93Å |
| 908 | V | 59.9 | Low | 54 | Low | 24 Ų | 24 | 97.2 Ų | 97.2 | 15% | 0.145 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | I894 P903 P904 P905 H910 Q911 L912 | I894-V908 HydrophobicContact CD1-CG1 3.69Å; I894-V908 HydrophobicContact CG1-CG1 4.13Å; I894-V908 HydrophobicContact CG2-CG1 4Å; P903-V908 HydrophobicContact CB-CG2 3.87Å; P903-V908 HydrophobicContact CG-CG2 4.11Å; P903-V908 WeakPolarHBondContact O-CG2 3.43Å; P904-V908 PolarHBondContact O-N 3.16Å; P904-V908 VanDerWaalsContact O-N 3.17Å; P905-V908 PolarHBondContact O-N 3.26Å; V908-H910 PolarHBondContact O-N 3.23Å; V908-Q911 PolarHBondContact O-N 3.48Å; V908-Q911 VanDerWaalsContact O-N 3.17Å; V908-L912 HydrophobicContact CG1-CD1 4.3Å; V908-L912 WeakPolarHBondContact O-CG 3.29Å; V908-L912 PolarHBondContact O-N 2.95Å |
| 909 | L | 61.7 | Low | 54.4 | Low | 97 Ų | 97 | 99.6 Ų | 99.6 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 174.4 | -169.7 | 72.4 | 0 | 0 | 0 | 110.6 | P905 L912 L913 | P905-L909 VanDerWaalsContact O-CB 3.27Å; P905-L909 WeakPolarHBondContact O-CB 3.33Å; P905-L909 PolarHBondContact O-N 2.94Å; L909-L912 PolarHBondContact O-N 2.8Å; L909-L913 HydrophobicContact CD2-CD1 4.33Å; L909-L913 HydrophobicContact CG-CD1 3.9Å; L909-L913 HydrophobicContact CG-CG 4.47Å; L909-L913 WeakPolarHBondContact O-CB 3.37Å; L909-L913 VanDerWaalsContact O-CG 3.24Å; L909-L913 WeakPolarHBondContact O-CG 3.3Å; L909-L913 PolarHBondContact O-N 3.07Å |
| 910 | H | 61.4 | Low | 54.9 | Low | 122 Ų | 122 | 96.6 Ų | 96.6 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.2 | -38 | 177 | -143.4 | -47.5 | 0 | 0 | 0 | 112.6 | D906 Q907 V908 L913 R914 | D906-H910 VanDerWaalsContact O-CB 3.24Å; D906-H910 WeakPolarHBondContact O-CB 3.39Å; D906-H910 PolarHBondContact O-N 2.9Å; Q907-H910 PolarHBondContact O-N 3.5Å; V908-H910 PolarHBondContact O-N 3.23Å; H910-L913 PolarHBondContact O-N 3.14Å; H910-R914 VanDerWaalsContact O-CB 3.29Å; H910-R914 WeakPolarHBondContact O-CB 3.28Å; H910-R914 PolarHBondContact O-N 3.38Å |
| 911 | Q | 58.9 | Low | 55.7 | Low | 74 Ų | 74 | 92.2 Ų | 92.2 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 174.3 | -79.4 | -179 | -13.1 | 0 | 0 | 111.8 | Q907 V908 | Q907-Q911 WeakPolarHBondContact O-CG 3.49Å; Q907-Q911 PolarHBondContact O-N 2.93Å; V908-Q911 PolarHBondContact O-N 3.48Å; V908-Q911 VanDerWaalsContact O-N 3.17Å |
| 912 | L | 56.6 | Low | 56.3 | Low | 38 Ų | 38 | 92.8 Ų | 92.8 | 20% | 0.199 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 173.3 | -72.3 | 164.7 | 0 | 0 | 0 | 110.8 | L887 T890 I894 V908 L909 H916 | L887-L912 HydrophobicContact CD1-CD2 3.76Å; T890-L912 HydrophobicContact CG2-CD2 4.31Å; I894-L912 HydrophobicContact CD1-CD1 4.3Å; I894-L912 HydrophobicContact CD1-CD2 4Å; I894-L912 HydrophobicContact CD1-CG 4.02Å; V908-L912 HydrophobicContact CG1-CD1 4.3Å; V908-L912 WeakPolarHBondContact O-CG 3.29Å; V908-L912 PolarHBondContact O-N 2.95Å; L909-L912 PolarHBondContact O-N 2.8Å; L912-H916 PolarHBondContact O-CD2 2.74Å |
| 913 | L | 64.4 | Low | 56.9 | Low | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.1 | -29.1 | -177.2 | -69.7 | 170.9 | 0 | 0 | 0 | 113.9 | L909 H910 K915 H916 | L909-L913 HydrophobicContact CD2-CD1 4.33Å; L909-L913 HydrophobicContact CG-CD1 3.9Å; L909-L913 HydrophobicContact CG-CG 4.47Å; L909-L913 WeakPolarHBondContact O-CB 3.37Å; L909-L913 VanDerWaalsContact O-CG 3.24Å; L909-L913 WeakPolarHBondContact O-CG 3.3Å; L909-L913 PolarHBondContact O-N 3.07Å; H910-L913 PolarHBondContact O-N 3.14Å; L913-K915 PolarHBondContact O-N 3.1Å; L913-H916 PolarHBondContact O-N 2.94Å |
| 914 | R | 55.1 | Low | 57.1 | Low | 187 Ų | 187 | 101.9 Ų | 101.9 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -22 | -178.2 | -138.4 | -179.8 | -173.1 | -173.6 | 2 | 113 | H910 | H910-R914 VanDerWaalsContact O-CB 3.29Å; H910-R914 WeakPolarHBondContact O-CB 3.28Å; H910-R914 PolarHBondContact O-N 3.38Å |
| 915 | K | 46.6 | Very low | 57 | Low | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -5.3 | -179.6 | -73.7 | -174.3 | 178.2 | 175.9 | 0 | 113.4 | L913 | L913-K915 PolarHBondContact O-N 3.1Š|
| 916 | H | 41.9 | Very low | 57.2 | Low | 147 Ų | 147 | 103.6 Ų | 103.6 | 68% | 0.681 | 49% | 0.488 | S | S | * | . | trans | -105.4 | 0 | 179.8 | -80.2 | -54.5 | 0 | 0 | 0 | 113.8 | L887 L912 L913 | L887-H916 WeakPolarHBondContact CD1-NE2 3.4Å; L912-H916 PolarHBondContact O-CD2 2.74Å; L913-H916 PolarHBondContact O-N 2.94Å |
Retrieved 916 of 916 residues in 160.9 ms
(Link to these results)