| 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 | 68.6 | Low | 86.3 | Confident | 74 Ų | 74 | 41.5 Ų | 41.5 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | 0 | 154.6 | 0 | -167.4 | -177.2 | -174.5 | 0 | 0 | 110.9 | F5 Y605 F697 G701 | M1-F5 HydrophobicContact CE-CZ 3.74Å; M1-Y605 HydrophobicContact CB-CD2 4.41Å; M1-Y605 HydrophobicContact CB-CE2 3.92Å; M1-Y605 HydrophobicContact SD-CD2 4.18Å; M1-F697 HydrophobicContact CE-CE1 4.37Å; M1-G701 VanDerWaalsContact CE-C 3.48Å; M1-G701 WeakPolarHBondContact CE-O 3.23Å | |||
| 2 | R | 74.6 | Confident | 86.3 | Confident | 84 Ų | 84 | 38.1 Ų | 38.1 | 32% | 0.317 | 18% | 0.18 | S | C | . | . | trans | -77.8 | 141 | 167.5 | -76.9 | -169.9 | -171.5 | 138.6 | 21.8 | 110 | L717 D724 N757 | R2-L717 HydrophobicContact CB-CD1 3.8Å; R2-L717 HydrophobicContact CB-CD2 4.19Å; R2-D724 IonicContact CZ-OD2 3.85Å; R2-D724 IonicContact NE-OD2 3.26Å; R2-D724 PolarHBondContact NE-OD2 3.3Å; R2-N757 VanDerWaalsContact NH2-CG 3.3Å; R2-N757 PolarHBondContact NH2-ND2 2.85Å; R2-N757 PolarHBondContact NH2-OD1 3.18Å; R2-N757 VanDerWaalsContact NH2-OD1 3.09Å | ||
| 3 | L | 82.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | trans | -117.9 | -1.1 | -170.2 | -62.5 | 162.5 | 0 | 0 | 0 | 114.2 | F5 Y605 L617 V626 | L3-F5 PolarHBondContact O-N 2.79Å; L3-Y605 HydrophobicContact CD1-CE1 3.79Å; L3-Y605 HydrophobicContact CD2-CD1 3.83Å; L3-Y605 HydrophobicContact CD2-CD2 4.28Å; L3-Y605 HydrophobicContact CD2-CE1 3.55Å; L3-Y605 HydrophobicContact CD2-CE2 4.08Å; L3-Y605 HydrophobicContact CD2-CG 4.19Å; L3-Y605 HydrophobicContact CG-CE1 4.25Å; L3-L617 HydrophobicContact CD2-CD2 3.79Å; L3-V626 HydrophobicContact CB-CG1 4.46Å; L3-V626 HydrophobicContact CD1-CG1 3.6Å; L3-V626 HydrophobicContact CD2-CG1 4.36Å; L3-V626 HydrophobicContact CG-CG1 4.35Å | ||
| 4 | D | 86 | Confident | 87.1 | Confident | 54 Ų | 54 | 33.9 Ų | 33.9 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | trans | -81.4 | 57.2 | 179.3 | -162.3 | 28.4 | 0 | 0 | 0 | 113.2 | R6 K627 L717 | D4-R6 PolarHBondContact O-N 2.9Å; D4-R6 IonicContact OD1-CZ 3.94Å; D4-R6 VanDerWaalsContact OD1-CZ 3.26Å; D4-R6 IonicContact OD1-NE 3.28Å; D4-R6 PolarHBondContact OD1-NE 3.45Å; D4-R6 VanDerWaalsContact OD1-NE 3.09Å; D4-R6 IonicContact OD1-NH2 2.88Å; D4-R6 PolarHBondContact OD1-NH2 3.35Å; D4-R6 IonicContact OD2-CZ 2.81Å; D4-R6 IonicContact OD2-NE 3.48Å; D4-R6 PolarHBondContact OD2-NE 3.44Å; D4-R6 VanDerWaalsContact OD2-NE 3.17Å; D4-R6 IonicContact OD2-NH2 2.98Å; D4-R6 PolarHBondContact OD2-NH2 2.86Å; D4-K627 IonicContact OD1-NZ 4Å; D4-K627 PolarHBondContact OD1-NZ 3.2Å; D4-L717 VanDerWaalsContact C-CD2 3.47Å | ||
| 5 | F | 89.2 | Confident | 87.5 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | trans | -62.3 | 133 | 173.1 | -65.4 | -80.4 | 0 | 0 | 0 | 110.4 | M1 L3 K627 F629 F697 W704 L717 | M1-F5 HydrophobicContact CE-CZ 3.74Å; L3-F5 PolarHBondContact O-N 2.79Å; F5-K627 PolarHBondContact O-NZ 3.05Å; F5-F629 HydrophobicContact CB-CE1 3.84Å; F5-F629 HydrophobicContact CB-CZ 3.93Å; F5-F629 HydrophobicContact CD2-CZ 4.18Å; F5-F697 HydrophobicContact CE2-CE1 4.4Å; F5-F697 HydrophobicContact CZ-CE1 4.12Å; F5-W704 AromaticContact CD1-CD1 3.51Å; F5-W704 AromaticContact CD1-NE1 3.47Å; F5-W704 AromaticContact CD2-CD1 4Å; F5-W704 AromaticContact CD2-NE1 3.51Å; F5-W704 AromaticContact CE1-CD1 3.58Å; F5-W704 AromaticContact CE1-NE1 3.97Å; F5-W704 AromaticContact CG-CD1 3.73Å; F5-W704 AromaticContact CG-NE1 3.21Å; F5-W704 AromaticContact CZ-CD1 3.84Å; F5-L717 HydrophobicContact CD1-CD2 3.85Å; F5-L717 HydrophobicContact CD1-CG 3.8Å; F5-L717 HydrophobicContact CD2-CD2 4.36Å; F5-L717 HydrophobicContact CE1-CD1 4.13Å; F5-L717 HydrophobicContact CE1-CD2 4.07Å; F5-L717 HydrophobicContact CE1-CG 3.72Å; F5-L717 HydrophobicContact CG-CD2 4Å; F5-L717 HydrophobicContact CG-CG 4.46Å; F5-L717 HydrophobicContact CZ-CD1 4.38Å; F5-L717 HydrophobicContact CZ-CD2 4.42Å; F5-L717 HydrophobicContact CZ-CG 4.32Å | ||
| 6 | R | 90 | Very high | 87.7 | Confident | 102 Ų | 102 | 35.3 Ų | 35.3 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 152.8 | 174.7 | -61.9 | -61.9 | 177.1 | 169.8 | -3.2 | 109.4 | D4 S8 Y715 S716 C719 | D4-R6 PolarHBondContact O-N 2.9Å; D4-R6 IonicContact OD1-CZ 3.94Å; D4-R6 VanDerWaalsContact OD1-CZ 3.26Å; D4-R6 IonicContact OD1-NE 3.28Å; D4-R6 PolarHBondContact OD1-NE 3.45Å; D4-R6 VanDerWaalsContact OD1-NE 3.09Å; D4-R6 IonicContact OD1-NH2 2.88Å; D4-R6 PolarHBondContact OD1-NH2 3.35Å; D4-R6 IonicContact OD2-CZ 2.81Å; D4-R6 IonicContact OD2-NE 3.48Å; D4-R6 PolarHBondContact OD2-NE 3.44Å; D4-R6 VanDerWaalsContact OD2-NE 3.17Å; D4-R6 IonicContact OD2-NH2 2.98Å; D4-R6 PolarHBondContact OD2-NH2 2.86Å; R6-S8 PolarHBondContact O-N 3.48Å; R6-Y715 CarbonylContact O-C 3.52Å; R6-Y715 WeakPolarHBondContact O-CA 3.35Å; R6-S716 PolarHBondContact N-O 3.27Å; R6-S716 PolarHBondContact O-N 3.27Å; R6-C719 HydrophobicContact CB-CB 4.26Å |
| 7 | F | 91.3 | Very high | 87.7 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 125.7 | 172.6 | 174.8 | -103 | 0 | 0 | 0 | 109.1 | N9 L10 K36 T49 L713 Y715 | F7-N9 WeakPolarHBondContact CE2-O 3.49Å; F7-L10 HydrophobicContact CE2-CB 4.14Å; F7-L10 HydrophobicContact CZ-CB 3.82Å; F7-K36 HydrophobicContact CE1-CD 4.31Å; F7-K36 HydrophobicContact CZ-CD 3.93Å; F7-T49 HydrophobicContact CE1-CG2 3.71Å; F7-T49 HydrophobicContact CZ-CG2 3.75Å; F7-L713 HydrophobicContact CD2-CD2 4.48Å; F7-L713 HydrophobicContact CE2-CD2 3.78Å; F7-Y715 HydrophobicContact CB-CD1 4.29Å; F7-Y715 HydrophobicContact CB-CE1 4.07Å |
| 8 | S | 90.3 | Very high | 88 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -55.8 | -175.7 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | R6 I714 S716 C719 | R6-S8 PolarHBondContact O-N 3.48Å; S8-I714 WeakPolarHBondContact CB-O 3.43Å; S8-I714 PolarHBondContact N-O 3.33Å; S8-S716 WeakPolarHBondContact CB-OG 3.1Å; S8-S716 PolarHBondContact OG-OG 3.15Å; S8-C719 WeakPolarHBondContact CA-SG 3.46Å; S8-C719 WeakPolarHBondContact CB-SG 3.49Å |
| 9 | N | 92.4 | Very high | 88.3 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 156.2 | -175.8 | -155.5 | 9.2 | 0 | 0 | 0 | 110.7 | F7 S47 T49 I714 | F7-N9 WeakPolarHBondContact CE2-O 3.49Å; N9-S47 PolarHBondContact ND2-O 2.88Å; N9-S47 PolarHBondContact ND2-OG 3.43Å; N9-T49 PolarHBondContact OD1-N 3.24Å; N9-T49 PolarHBondContact OD1-OG1 3.32Å; N9-I714 PolarHBondContact N-O 3.38Å; N9-I714 WeakPolarHBondContact O-CB 3.49Å; N9-I714 PolarHBondContact O-N 3.12Å |
| 10 | L | 93.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.2 | 170.8 | 176.9 | 159.1 | 0 | 0 | 0 | 108 | F7 T13 V33 K36 T49 E710 L713 | F7-L10 HydrophobicContact CE2-CB 4.14Å; F7-L10 HydrophobicContact CZ-CB 3.82Å; L10-T13 WeakPolarHBondContact CD2-OG1 3.33Å; L10-V33 HydrophobicContact CD2-CB 4.23Å; L10-V33 HydrophobicContact CD2-CG1 3.51Å; L10-K36 HydrophobicContact CD1-CD 3.84Å; L10-T49 HydrophobicContact CB-CG2 4.27Å; L10-T49 PolarHBondContact N-OG1 2.79Å; L10-E710 HydrophobicContact CD1-CB 4.34Å; L10-L713 HydrophobicContact CB-CD2 4.27Å; L10-L713 HydrophobicContact CD1-CD2 3.71Å; L10-L713 HydrophobicContact CG-CD2 4.07Å |
| 11 | V | 91.7 | Very high | 89 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 165.3 | -176.3 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | T13 W386 V712 I714 | V11-T13 VanDerWaalsContact C-N 3.25Å; V11-T13 PolarHBondContact O-N 2.77Å; V11-W386 HydrophobicContact CG1-CB 3.74Å; V11-W386 HydrophobicContact CG1-CD2 3.76Å; V11-W386 HydrophobicContact CG1-CE3 3.62Å; V11-W386 HydrophobicContact CG1-CG 3.79Å; V11-V712 HydrophobicContact CB-CB 4.42Å; V11-V712 PolarHBondContact N-O 3.46Å; V11-V712 WeakPolarHBondContact O-CA 3.5Å; V11-V712 WeakPolarHBondContact O-CB 3.3Å; V11-V712 PolarHBondContact O-N 2.87Å; V11-I714 HydrophobicContact CB-CD1 4.25Å; V11-I714 HydrophobicContact CG2-CD1 3.57Å; V11-I714 HydrophobicContact CG2-CG1 4.4Å |
| 12 | G | 86.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 89.1 | -19 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G357 H358 W386 | G12-G357 WeakPolarHBondContact O-CA 3.27Å; G12-H358 PolarHBondContact O-N 2.83Å; G12-W386 VanDerWaalsContact CA-CZ2 3.49Å |
| 13 | T | 90.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.08 | 14% | 0.144 | C | C | . | . | trans | -132.6 | 141 | 172.1 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | L10 V11 V33 E710 | L10-T13 WeakPolarHBondContact CD2-OG1 3.33Å; V11-T13 VanDerWaalsContact C-N 3.25Å; V11-T13 PolarHBondContact O-N 2.77Å; T13-V33 WeakPolarHBondContact OG1-CG1 3.48Å; T13-E710 WeakPolarHBondContact CB-O 3.43Å; T13-E710 WeakPolarHBondContact CG2-O 3.37Å; T13-E710 PolarHBondContact OG1-O 2.76Å | ||
| 14 | V | 93.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | trans | -122.3 | -28.9 | -167.5 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | S31 Y40 L341 Q355 | V14-S31 PolarHBondContact O-OG 3.04Å; V14-Y40 WeakPolarHBondContact CA-OH 3.4Å; V14-Y40 HydrophobicContact CG1-CE1 4.4Å; V14-Y40 HydrophobicContact CG1-CE2 3.82Å; V14-Y40 WeakPolarHBondContact CG1-OH 3.5Å; V14-L341 HydrophobicContact CB-CB 4.25Å; V14-L341 HydrophobicContact CG1-CB 3.46Å; V14-L341 VanDerWaalsContact CG1-CB 3.46Å; V14-L341 HydrophobicContact CG1-CD2 3.79Å; V14-L341 HydrophobicContact CG1-CG 4.24Å; V14-Q355 HydrophobicContact CB-CB 4.48Å; V14-Q355 HydrophobicContact CG1-CB 3.84Å; V14-Q355 HydrophobicContact CG2-CB 3.99Å | ||
| 15 | Y | 94.3 | Very high | 90 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | trans | -159.2 | 140.9 | 178.3 | 176.6 | -111.7 | 0 | 0 | 0 | 109 | G18 L20 P32 N320 S321 G339 | Y15-G18 WeakPolarHBondContact CE2-O 3.22Å; Y15-G18 PolarHBondContact OH-O 2.92Å; Y15-L20 HydrophobicContact CD2-CD2 3.75Å; Y15-L20 HydrophobicContact CD2-CG 4.49Å; Y15-L20 HydrophobicContact CE2-CD2 3.82Å; Y15-L20 HydrophobicContact CE2-CG 4.13Å; Y15-P32 HydrophobicContact CD2-CG 4.08Å; Y15-P32 HydrophobicContact CE2-CG 3.85Å; Y15-N320 HydrophobicContact CE1-CB 4.32Å; Y15-N320 WeakPolarHBondContact OH-CB 3.25Å; Y15-S321 WeakPolarHBondContact OH-CB 3.21Å; Y15-G339 VanDerWaalsContact O-CA 3.28Å; Y15-G339 WeakPolarHBondContact O-CA 3.43Å | ||
| 16 | R | 89.5 | Confident | 89.6 | Confident | 89 Ų | 89 | 27.9 Ų | 27.9 | 34% | 0.336 | 17% | 0.167 | S | C | . | . | trans | -127 | -0.5 | 177 | -84.4 | -164.3 | 163.8 | -164.9 | -9.5 | 115.5 | P32 N709 | R16-P32 PolarHBondContact N-O 2.7Å; R16-P32 VanDerWaalsContact N-O 3.08Å; R16-N709 VanDerWaalsContact CZ-O 3.29Å; R16-N709 PolarHBondContact NH1-O 3.04Å; R16-N709 PolarHBondContact NH2-O 3.42Å | ||
| 17 | G | 88.5 | Confident | 89.5 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 19% | 0.186 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 117.2 | 165.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P32 | G17-P32 WeakPolarHBondContact O-CB 3.15Å; G17-P32 WeakPolarHBondContact O-CG 3.32Å |
| 18 | G | 92.1 | Very high | 89.5 | Confident | 25 Ų | 25 | 26 Ų | 26 | 26% | 0.258 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 94.4 | 172.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y15 Q59 | Y15-G18 WeakPolarHBondContact CE2-O 3.22Å; Y15-G18 PolarHBondContact OH-O 2.92Å; G18-Q59 CarbonylContact C-O 3.51Å; G18-Q59 WeakPolarHBondContact CA-O 3.41Å |
| 19 | N | 95 | Very high | 89.8 | Confident | 47 Ų | 47 | 24 Ų | 24 | 25% | 0.251 | 15% | 0.154 | S | C | . | . | trans | -78.6 | 151.3 | 179 | 67.6 | -37.6 | 0 | 0 | 0 | 112.1 | P32 Q59 V60 M61 | N19-P32 WeakPolarHBondContact O-CD 3.34Å; N19-Q59 PolarHBondContact N-O 3.12Å; N19-Q59 VanDerWaalsContact N-O 3.14Å; N19-Q59 PolarHBondContact OD1-O 2.84Å; N19-V60 VanDerWaalsContact OD1-CA 3.32Å; N19-V60 WeakPolarHBondContact OD1-CA 3.24Å; N19-M61 PolarHBondContact ND2-O 3.27Å; N19-M61 WeakPolarHBondContact O-CE 3.38Å; N19-M61 PolarHBondContact OD1-N 2.99Å | ||
| 20 | L | 95.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -88.1 | 163.3 | 168 | -62.9 | 171.2 | 0 | 0 | 0 | 110 | Y15 S321 V323 A332 L341 | Y15-L20 HydrophobicContact CD2-CD2 3.75Å; Y15-L20 HydrophobicContact CD2-CG 4.49Å; Y15-L20 HydrophobicContact CE2-CD2 3.82Å; Y15-L20 HydrophobicContact CE2-CG 4.13Å; L20-S321 PolarHBondContact N-OG 3.46Å; L20-V323 HydrophobicContact CB-CG2 3.7Å; L20-V323 VanDerWaalsContact O-CG2 3.26Å; L20-V323 WeakPolarHBondContact O-CG2 3.48Å; L20-A332 HydrophobicContact CD1-CB 4.19Å; L20-L341 HydrophobicContact CD1-CD1 3.51Å; L20-L341 HydrophobicContact CD2-CD1 3.79Å; L20-L341 HydrophobicContact CG-CD1 4.32Å | ||
| 21 | L | 94.8 | Very high | 90 | Very high | 31 Ų | 31 | 23.8 Ų | 23.8 | 16% | 0.162 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.9 | 168.3 | -66.3 | 175.5 | 0 | 0 | 0 | 111 | V29 L30 M61 L63 I70 | L21-V29 CarbonylContact O-C 3.48Å; L21-V29 WeakPolarHBondContact O-CA 3.4Å; L21-L30 HydrophobicContact CB-CB 4.29Å; L21-L30 HydrophobicContact CB-CD1 4.47Å; L21-L30 PolarHBondContact N-O 2.89Å; L21-L30 VanDerWaalsContact N-O 3.16Å; L21-L30 PolarHBondContact O-N 3.15Å; L21-M61 HydrophobicContact CD1-CB 3.64Å; L21-M61 WeakPolarHBondContact CD1-O 3.17Å; L21-M61 HydrophobicContact CG-CB 4.24Å; L21-L63 HydrophobicContact CB-CD1 4.02Å; L21-L63 HydrophobicContact CD1-CB 4.21Å; L21-L63 HydrophobicContact CD1-CD1 3.92Å; L21-L63 HydrophobicContact CD1-CG 3.8Å; L21-I70 HydrophobicContact CD1-CD1 4.47Å |
| 22 | F | 93.6 | Very high | 90.2 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 9% | 0.088 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.3 | 160.9 | -82.8 | -84.2 | 0 | 0 | 0 | 109.5 | C28 V29 L42 V323 N325 W330 A332 V343 | F22-C28 WeakPolarHBondContact CA-O 3.46Å; F22-V29 HydrophobicContact CD1-CG2 3.64Å; F22-V29 HydrophobicContact CE1-CG2 3.21Å; F22-V29 HydrophobicContact CE2-CG2 4.38Å; F22-V29 HydrophobicContact CG-CG2 4.39Å; F22-V29 HydrophobicContact CZ-CG2 3.63Å; F22-L42 HydrophobicContact CE1-CD1 4.01Å; F22-V323 HydrophobicContact CD2-CB 4.22Å; F22-V323 HydrophobicContact CD2-CG1 3.92Å; F22-V323 HydrophobicContact CE2-CB 4.49Å; F22-N325 HydrophobicContact CB-CB 4.41Å; F22-N325 HydrophobicContact CD1-CB 3.71Å; F22-N325 HydrophobicContact CD2-CB 3.98Å; F22-N325 HydrophobicContact CE1-CB 3.81Å; F22-N325 HydrophobicContact CE2-CB 4.08Å; F22-N325 HydrophobicContact CG-CB 3.79Å; F22-N325 HydrophobicContact CZ-CB 3.99Å; F22-W330 HydrophobicContact CE1-CE3 4.42Å; F22-W330 HydrophobicContact CZ-CB 4.2Å; F22-A332 HydrophobicContact CD2-CB 4.42Å; F22-A332 HydrophobicContact CE2-CB 3.46Å; F22-A332 VanDerWaalsContact CE2-CB 3.46Å; F22-A332 HydrophobicContact CZ-CB 3.71Å; F22-V343 HydrophobicContact CZ-CG1 4.23Å |
| 23 | A | 88.4 | Confident | 90.5 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | trans | -67.7 | 146.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G25 G26 C28 E67 | A23-G25 PolarHBondContact O-N 3.14Å; A23-G25 VanDerWaalsContact O-N 3.16Å; A23-G26 WeakPolarHBondContact O-CA 3.46Å; A23-G26 PolarHBondContact O-N 3.39Å; A23-C28 HydrophobicContact CB-CB 3.98Å; A23-C28 PolarHBondContact N-O 2.98Å; A23-E67 VanDerWaalsContact C-OE1 3.25Å; A23-E67 WeakPolarHBondContact CA-OE1 3.43Å; A23-E67 VanDerWaalsContact CB-OE1 3.27Å; A23-E67 WeakPolarHBondContact CB-OE1 3.46Å | ||
| 24 | S | 73.1 | Confident | 90.6 | Very high | 70 Ų | 70 | 23.1 Ų | 23.1 | 49% | 0.49 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -32.3 | 178.4 | 90.4 | 0 | 0 | 0 | 0 | 113.1 | G26 E67 S326 | S24-G26 PolarHBondContact O-N 3.04Å; S24-E67 WeakPolarHBondContact CB-OE1 3.13Å; S24-E67 WeakPolarHBondContact CB-OE2 3.33Å; S24-E67 PolarHBondContact N-OE1 3.23Å; S24-E67 PolarHBondContact N-OE2 3.23Å; S24-E67 WeakPolarHBondContact OG-CG 3.29Å; S24-E67 PolarHBondContact OG-OE2 2.54Å; S24-S326 PolarHBondContact O-OG 3.03Å |
| 25 | G | 76.8 | Confident | 90.7 | Very high | 49 Ų | 49 | 23 Ų | 23 | 51% | 0.505 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -5.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A23 N27 E67 | A23-G25 PolarHBondContact O-N 3.14Å; A23-G25 VanDerWaalsContact O-N 3.16Å; G25-N27 PolarHBondContact O-N 2.89Å; G25-N27 PolarHBondContact O-ND2 2.99Å; G25-E67 PolarHBondContact N-OE2 3.12Å |
| 26 | G | 80.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 74.5 | -15.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A23 S24 | A23-G26 WeakPolarHBondContact O-CA 3.46Å; A23-G26 PolarHBondContact O-N 3.39Å; S24-G26 PolarHBondContact O-N 3.04Å |
| 27 | N | 88.5 | Confident | 91 | Very high | 58 Ų | 58 | 18.8 Ų | 18.8 | 31% | 0.31 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -95.7 | -13.9 | -168.8 | -64.2 | -42.3 | 0 | 0 | 0 | 114.9 | G25 L42 R43 | G25-N27 PolarHBondContact O-N 2.89Å; G25-N27 PolarHBondContact O-ND2 2.99Å; N27-L42 VanDerWaalsContact O-CB 3.25Å; N27-L42 WeakPolarHBondContact O-CB 3.47Å; N27-L42 VanDerWaalsContact O-CG 3.32Å; N27-L42 WeakPolarHBondContact O-CG 3.36Å; N27-L42 PolarHBondContact O-N 3.11Å; N27-R43 HydrophobicContact CB-CB 4.39Å |
| 28 | C | 92 | Very high | 91.3 | Very high | 40 Ų | 40 | 17.9 Ų | 17.9 | 27% | 0.27 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.1 | -175 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | F22 A23 Y40 | F22-C28 WeakPolarHBondContact CA-O 3.46Å; A23-C28 HydrophobicContact CB-CB 3.98Å; A23-C28 PolarHBondContact N-O 2.98Å; C28-Y40 CarbonylContact C-O 3.54Å; C28-Y40 VanDerWaalsContact CA-O 3.28Å; C28-Y40 WeakPolarHBondContact CA-O 3.37Å |
| 29 | V | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.9 | 171.8 | 177 | 0 | 0 | 0 | 0 | 109 | L21 F22 T39 Y40 L42 A332 L341 V343 | L21-V29 CarbonylContact O-C 3.48Å; L21-V29 WeakPolarHBondContact O-CA 3.4Å; F22-V29 HydrophobicContact CD1-CG2 3.64Å; F22-V29 HydrophobicContact CE1-CG2 3.21Å; F22-V29 HydrophobicContact CE2-CG2 4.38Å; F22-V29 HydrophobicContact CG-CG2 4.39Å; F22-V29 HydrophobicContact CZ-CG2 3.63Å; V29-T39 CarbonylContact O-C 3.02Å; V29-T39 WeakPolarHBondContact O-CA 3.3Å; V29-Y40 PolarHBondContact N-O 2.98Å; V29-Y40 PolarHBondContact O-N 2.92Å; V29-L42 HydrophobicContact CG2-CD1 3.89Å; V29-L42 HydrophobicContact CG2-CD2 4.48Å; V29-L42 HydrophobicContact CG2-CG 4.37Å; V29-A332 HydrophobicContact CG1-CB 4.45Å; V29-A332 HydrophobicContact CG2-CB 4.45Å; V29-L341 HydrophobicContact CG1-CD2 4.36Å; V29-V343 HydrophobicContact CG2-CG2 3.95Å |
| 30 | L | 95 | Very high | 91.3 | Very high | 9 Ų | 9 | 16.1 Ų | 16.1 | 5% | 0.047 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.5 | 169.6 | -56.8 | 179.8 | 0 | 0 | 0 | 108.7 | L21 V37 T38 T39 M61 L63 I70 | L21-L30 HydrophobicContact CB-CB 4.29Å; L21-L30 HydrophobicContact CB-CD1 4.47Å; L21-L30 PolarHBondContact N-O 2.89Å; L21-L30 VanDerWaalsContact N-O 3.16Å; L21-L30 PolarHBondContact O-N 3.15Å; L30-V37 HydrophobicContact CB-CG1 4.34Å; L30-T38 WeakPolarHBondContact CA-O 3.14Å; L30-T39 HydrophobicContact CD2-CG2 3.27Å; L30-M61 HydrophobicContact CB-CE 4.04Å; L30-M61 WeakPolarHBondContact O-CE 3.5Å; L30-L63 HydrophobicContact CD1-CD1 3.68Å; L30-L63 HydrophobicContact CD1-CD2 4Å; L30-L63 HydrophobicContact CD1-CG 3.96Å; L30-I70 HydrophobicContact CD1-CD1 3.56Å |
| 31 | S | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.2 | 178.5 | 89.6 | 0 | 0 | 0 | 0 | 112.1 | V14 V37 T38 Y40 | V14-S31 PolarHBondContact O-OG 3.04Å; S31-V37 WeakPolarHBondContact O-CA 3.32Å; S31-T38 PolarHBondContact N-O 3Å; S31-T38 PolarHBondContact O-N 2.82Å; S31-T38 PolarHBondContact O-OG1 3.28Å; S31-T38 PolarHBondContact OG-OG1 3.45Å; S31-Y40 VanDerWaalsContact OG-CE2 3.28Å; S31-Y40 WeakPolarHBondContact OG-CE2 3.3Å |
| 32 | P | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126 | 173.1 | 31.3 | -32.4 | 0 | 0 | 0 | 110.7 | Y15 R16 G17 N19 V58 M61 | Y15-P32 HydrophobicContact CD2-CG 4.08Å; Y15-P32 HydrophobicContact CE2-CG 3.85Å; R16-P32 PolarHBondContact N-O 2.7Å; R16-P32 VanDerWaalsContact N-O 3.08Å; G17-P32 WeakPolarHBondContact O-CB 3.15Å; G17-P32 WeakPolarHBondContact O-CG 3.32Å; N19-P32 WeakPolarHBondContact O-CD 3.34Å; P32-V58 HydrophobicContact CB-CB 4Å; P32-V58 HydrophobicContact CB-CG1 4.17Å; P32-M61 HydrophobicContact CG-CE 4.36Å |
| 33 | V | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 79.5 | 178.6 | -165.5 | 0 | 0 | 0 | 0 | 109 | L10 T13 N35 K36 T38 | L10-V33 HydrophobicContact CD2-CB 4.23Å; L10-V33 HydrophobicContact CD2-CG1 3.51Å; T13-V33 WeakPolarHBondContact OG1-CG1 3.48Å; V33-N35 PolarHBondContact O-N 3.2Å; V33-K36 PolarHBondContact N-O 2.76Å; V33-K36 PolarHBondContact O-N 3.08Å; V33-T38 HydrophobicContact CB-CG2 4.26Å; V33-T38 HydrophobicContact CG2-CG2 3.6Å; V33-T38 WeakPolarHBondContact CG2-OG1 3.35Å |
| 34 | G | 91.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | -122.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K36 N57 V58 | G34-K36 VanDerWaalsContact C-N 3.34Å; G34-N57 WeakPolarHBondContact CA-OD1 3.47Å; G34-N57 CarbonylContact O-C 3.54Å; G34-N57 WeakPolarHBondContact O-CA 3.36Å; G34-V58 PolarHBondContact O-N 3.46Å |
| 35 | N | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 6.1 | 178.8 | 76.1 | -26.8 | 0 | 0 | 0 | 114.4 | V33 T54 G56 N634 E710 | V33-N35 PolarHBondContact O-N 3.2Å; N35-T54 VanDerWaalsContact CA-OG1 3.3Å; N35-T54 WeakPolarHBondContact CA-OG1 3.3Å; N35-T54 WeakPolarHBondContact CB-O 3.35Å; N35-T54 WeakPolarHBondContact CB-OG1 3.33Å; N35-T54 PolarHBondContact ND2-O 3.33Å; N35-T54 PolarHBondContact O-N 3.4Å; N35-T54 PolarHBondContact O-OG1 3.27Å; N35-G56 WeakPolarHBondContact CA-O 3.28Å; N35-G56 WeakPolarHBondContact CB-O 3.25Å; N35-N634 HydrophobicContact CB-CB 3.99Å; N35-E710 PolarHBondContact OD1-OE1 2.68Å |
| 36 | K | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 164.8 | -179.4 | -66 | 169.8 | -173.7 | 69.1 | 0 | 110.5 | F7 L10 V33 G34 T49 E53 E710 | F7-K36 HydrophobicContact CE1-CD 4.31Å; F7-K36 HydrophobicContact CZ-CD 3.93Å; L10-K36 HydrophobicContact CD1-CD 3.84Å; V33-K36 PolarHBondContact N-O 2.76Å; V33-K36 PolarHBondContact O-N 3.08Å; G34-K36 VanDerWaalsContact C-N 3.34Å; K36-T49 HydrophobicContact CB-CG2 3.93Å; K36-T49 HydrophobicContact CD-CG2 4.28Å; K36-E53 WeakPolarHBondContact CE-OE1 3.48Å; K36-E53 HydrophobicContact CG-CG 4.16Å; K36-E53 IonicContact NZ-OE1 3.98Å; K36-E53 PolarHBondContact NZ-OE1 2.84Å; K36-E710 IonicContact NZ-OE2 3.91Å; K36-E710 PolarHBondContact NZ-OE2 3.38Å |
| 37 | V | 95.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.2 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | L30 S31 L50 V58 M61 L72 | L30-V37 HydrophobicContact CB-CG1 4.34Å; S31-V37 WeakPolarHBondContact O-CA 3.32Å; V37-L50 HydrophobicContact CB-CD1 4.21Å; V37-L50 HydrophobicContact CG1-CD1 4.31Å; V37-L50 PolarHBondContact O-N 3.11Å; V37-V58 HydrophobicContact CG2-CG2 4.33Å; V37-M61 HydrophobicContact CB-SD 4.24Å; V37-M61 HydrophobicContact CG1-CE 4.5Å; V37-M61 HydrophobicContact CG1-SD 3.6Å; V37-M61 VanDerWaalsContact CG1-SD 3.6Å; V37-M61 HydrophobicContact CG2-SD 3.55Å; V37-M61 VanDerWaalsContact CG2-SD 3.55Å; V37-L72 HydrophobicContact CG2-CD1 3.65Å; V37-L72 HydrophobicContact CG2-CD2 3.78Å; V37-L72 HydrophobicContact CG2-CG 4.38Å |
| 38 | T | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.9 | 174.7 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | L30 S31 V33 Y40 E48 T49 | L30-T38 WeakPolarHBondContact CA-O 3.14Å; S31-T38 PolarHBondContact N-O 3Å; S31-T38 PolarHBondContact O-N 2.82Å; S31-T38 PolarHBondContact O-OG1 3.28Å; S31-T38 PolarHBondContact OG-OG1 3.45Å; V33-T38 HydrophobicContact CB-CG2 4.26Å; V33-T38 HydrophobicContact CG2-CG2 3.6Å; V33-T38 WeakPolarHBondContact CG2-OG1 3.35Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.32Å; T38-Y40 PolarHBondContact OG1-OH 2.85Å; T38-E48 CarbonylContact C-O 3.48Å; T38-E48 WeakPolarHBondContact CA-O 3.36Å; T38-T49 HydrophobicContact CG2-CG2 4.03Å; T38-T49 WeakPolarHBondContact CG2-OG1 3.48Å |
| 39 | T | 94 | Very high | 92.3 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.1 | 174.5 | 73.6 | 0 | 0 | 0 | 0 | 108.2 | V29 L30 S47 E48 L50 | V29-T39 CarbonylContact O-C 3.02Å; V29-T39 WeakPolarHBondContact O-CA 3.3Å; L30-T39 HydrophobicContact CD2-CG2 3.27Å; T39-S47 WeakPolarHBondContact O-CA 3.12Å; T39-E48 PolarHBondContact N-O 3.49Å; T39-E48 PolarHBondContact O-N 2.87Å; T39-E48 PolarHBondContact OG1-O 3.37Å; T39-L50 HydrophobicContact CG2-CD2 4.2Å; T39-L50 HydrophobicContact CG2-CG 4.23Å |
| 40 | Y | 93.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 105.9 | 176.4 | -66.1 | -67.6 | 0 | 0 | 0 | 109.9 | V14 C28 V29 S31 T38 L42 S47 L341 M353 F392 | V14-Y40 WeakPolarHBondContact CA-OH 3.4Å; V14-Y40 HydrophobicContact CG1-CE1 4.4Å; V14-Y40 HydrophobicContact CG1-CE2 3.82Å; V14-Y40 WeakPolarHBondContact CG1-OH 3.5Å; C28-Y40 CarbonylContact C-O 3.54Å; C28-Y40 VanDerWaalsContact CA-O 3.28Å; C28-Y40 WeakPolarHBondContact CA-O 3.37Å; V29-Y40 PolarHBondContact N-O 2.98Å; V29-Y40 PolarHBondContact O-N 2.92Å; S31-Y40 VanDerWaalsContact OG-CE2 3.28Å; S31-Y40 WeakPolarHBondContact OG-CE2 3.3Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.32Å; T38-Y40 PolarHBondContact OG1-OH 2.85Å; Y40-L42 PolarHBondContact O-N 2.98Å; Y40-S47 VanDerWaalsContact CD1-CB 3.44Å; Y40-L341 HydrophobicContact CD2-CD2 3.52Å; Y40-L341 HydrophobicContact CE2-CD2 3.5Å; Y40-M353 HydrophobicContact CG-SD 4.41Å; Y40-F392 AromaticContact CD1-CE1 3.39Å; Y40-F392 HydrophobicContact CD1-CE1 3.39Å; Y40-F392 AromaticContact CD1-CZ 3.7Å; Y40-F392 HydrophobicContact CD1-CZ 3.7Å; Y40-F392 AromaticContact CE1-CE1 3.76Å; Y40-F392 HydrophobicContact CE1-CE1 3.76Å; Y40-F392 HydrophobicContact CE1-CZ 4.44Å; Y40-F392 HydrophobicContact CG-CE1 4.36Å |
| 41 | D | 92 | Very high | 91.9 | Very high | 35 Ų | 35 | 37 Ų | 37 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 106.3 | 170.5 | -178.9 | -11.9 | 0 | 0 | 0 | 108.8 | R43 N44 H45 R46 | D41-R43 VanDerWaalsContact C-N 3.31Å; D41-R43 WeakPolarHBondContact OD1-CB 3.33Å; D41-R43 PolarHBondContact OD1-N 2.99Å; D41-N44 PolarHBondContact OD1-N 2.86Å; D41-N44 VanDerWaalsContact OD1-N 3.08Å; D41-N44 WeakPolarHBondContact OD2-CB 3.36Å; D41-N44 PolarHBondContact OD2-ND2 3.39Å; D41-H45 VanDerWaalsContact O-CA 3.25Å; D41-H45 WeakPolarHBondContact O-CA 3.25Å; D41-H45 PolarHBondContact O-N 3.19Å; D41-R46 PolarHBondContact N-O 3.31Å; D41-R46 PolarHBondContact O-N 3.06Å; D41-R46 VanDerWaalsContact O-N 3.08Å |
| 42 | L | 90.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -25.4 | -177.2 | -55.5 | 179.5 | 0 | 0 | 0 | 112.1 | F22 N27 V29 Y40 H45 W330 V343 M353 | F22-L42 HydrophobicContact CE1-CD1 4.01Å; N27-L42 VanDerWaalsContact O-CB 3.25Å; N27-L42 WeakPolarHBondContact O-CB 3.47Å; N27-L42 VanDerWaalsContact O-CG 3.32Å; N27-L42 WeakPolarHBondContact O-CG 3.36Å; N27-L42 PolarHBondContact O-N 3.11Å; V29-L42 HydrophobicContact CG2-CD1 3.89Å; V29-L42 HydrophobicContact CG2-CD2 4.48Å; V29-L42 HydrophobicContact CG2-CG 4.37Å; Y40-L42 PolarHBondContact O-N 2.98Å; L42-H45 PolarHBondContact O-CE1 2.86Å; L42-H45 PolarHBondContact O-ND1 2.83Å; L42-W330 HydrophobicContact CB-CH2 4.25Å; L42-W330 HydrophobicContact CB-CZ3 3.81Å; L42-W330 HydrophobicContact CD1-CD2 4.47Å; L42-W330 HydrophobicContact CD1-CE3 3.43Å; L42-W330 VanDerWaalsContact CD1-CE3 3.43Å; L42-W330 HydrophobicContact CD1-CH2 4.48Å; L42-W330 HydrophobicContact CD1-CZ3 3.43Å; L42-W330 VanDerWaalsContact CD1-CZ3 3.43Å; L42-W330 HydrophobicContact CG-CZ3 4.24Å; L42-V343 HydrophobicContact CD1-CB 4.4Å; L42-V343 HydrophobicContact CD1-CG1 3.9Å; L42-V343 HydrophobicContact CD1-CG2 4.12Å; L42-V343 HydrophobicContact CD2-CG2 4.09Å; L42-M353 HydrophobicContact CD2-CB 4.3Å; L42-M353 HydrophobicContact CD2-CE 3.24Å; L42-M353 HydrophobicContact CD2-SD 4Å |
| 43 | R | 88.2 | Confident | 91.3 | Very high | 184 Ų | 184 | 40 Ų | 40 | 69% | 0.694 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -46 | -178.1 | -179.1 | 177.6 | 177.8 | 173.1 | 0.8 | 111.6 | N27 D41 H45 | N27-R43 HydrophobicContact CB-CB 4.39Å; D41-R43 VanDerWaalsContact C-N 3.31Å; D41-R43 WeakPolarHBondContact OD1-CB 3.33Å; D41-R43 PolarHBondContact OD1-N 2.99Å; R43-H45 VanDerWaalsContact C-N 3.33Å |
| 44 | N | 84.5 | Confident | 91.3 | Very high | 102 Ų | 102 | 40 Ų | 40 | 55% | 0.545 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4 | 179 | -65.3 | -47 | 0 | 0 | 0 | 113.1 | D41 R46 | D41-N44 PolarHBondContact OD1-N 2.86Å; D41-N44 VanDerWaalsContact OD1-N 3.08Å; D41-N44 WeakPolarHBondContact OD2-CB 3.36Å; D41-N44 PolarHBondContact OD2-ND2 3.39Å; N44-R46 HydrophobicContact CB-CG 4.37Å |
| 45 | H | 85.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 41.3 Ų | 41.3 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 58.8 | -170.6 | -61.2 | -67 | 0 | 0 | 0 | 111.4 | D41 L42 R43 S390 F392 | D41-H45 VanDerWaalsContact O-CA 3.25Å; D41-H45 WeakPolarHBondContact O-CA 3.25Å; D41-H45 PolarHBondContact O-N 3.19Å; L42-H45 PolarHBondContact O-CE1 2.86Å; L42-H45 PolarHBondContact O-ND1 2.83Å; R43-H45 VanDerWaalsContact C-N 3.33Å; H45-S390 WeakPolarHBondContact O-CB 3.23Å; H45-F392 HydrophobicContact CB-CD2 4.41Å; H45-F392 HydrophobicContact CB-CE2 4.1Å; H45-F392 WeakPolarHBondContact O-CE2 3.39Å |
| 46 | R | 87.7 | Confident | 91.2 | Very high | 144 Ų | 144 | 41.3 Ų | 41.3 | 54% | 0.543 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 154.3 | 174.7 | -68.7 | -175.1 | 179.4 | -174 | -2.3 | 111.4 | D41 N44 S390 | D41-R46 PolarHBondContact N-O 3.31Å; D41-R46 PolarHBondContact O-N 3.06Å; D41-R46 VanDerWaalsContact O-N 3.08Å; N44-R46 HydrophobicContact CB-CG 4.37Å; R46-S390 CarbonylContact C-O 3.48Å |
| 47 | S | 91.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.7 | 171.1 | 62.6 | 0 | 0 | 0 | 0 | 109.2 | N9 T39 Y40 S390 G391 | N9-S47 PolarHBondContact ND2-O 2.88Å; N9-S47 PolarHBondContact ND2-OG 3.43Å; T39-S47 WeakPolarHBondContact O-CA 3.12Å; Y40-S47 VanDerWaalsContact CD1-CB 3.44Å; S47-S390 WeakPolarHBondContact CB-O 3.43Å; S47-S390 PolarHBondContact N-O 3.06Å; S47-S390 PolarHBondContact OG-O 3.33Å; S47-G391 WeakPolarHBondContact OG-CA 3.42Å |
| 48 | E | 90.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 35% | 0.346 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.5 | 174.1 | -64.3 | -172.6 | -172.3 | 0 | 0 | 108.5 | T38 T39 R87 | T38-E48 CarbonylContact C-O 3.48Å; T38-E48 WeakPolarHBondContact CA-O 3.36Å; T39-E48 PolarHBondContact N-O 3.49Å; T39-E48 PolarHBondContact O-N 2.87Å; T39-E48 PolarHBondContact OG1-O 3.37Å; E48-R87 IonicContact OE2-CZ 2.66Å; E48-R87 IonicContact OE2-NH1 2.77Å; E48-R87 PolarHBondContact OE2-NH1 3.49Å; E48-R87 IonicContact OE2-NH2 3.3Å; E48-R87 PolarHBondContact OE2-NH2 3.14Å |
| 49 | T | 93.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.3 | 173.9 | -49.8 | 0 | 0 | 0 | 0 | 109 | F7 N9 L10 K36 T38 | F7-T49 HydrophobicContact CE1-CG2 3.71Å; F7-T49 HydrophobicContact CZ-CG2 3.75Å; N9-T49 PolarHBondContact OD1-N 3.24Å; N9-T49 PolarHBondContact OD1-OG1 3.32Å; L10-T49 HydrophobicContact CB-CG2 4.27Å; L10-T49 PolarHBondContact N-OG1 2.79Å; K36-T49 HydrophobicContact CB-CG2 3.93Å; K36-T49 HydrophobicContact CD-CG2 4.28Å; T38-T49 HydrophobicContact CG2-CG2 4.03Å; T38-T49 WeakPolarHBondContact CG2-OG1 3.48Å |
| 50 | L | 91.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | trans | -63.3 | 136.3 | 173.6 | -63.4 | -179.8 | 0 | 0 | 0 | 109.2 | V37 T39 V52 L84 | V37-L50 HydrophobicContact CB-CD1 4.21Å; V37-L50 HydrophobicContact CG1-CD1 4.31Å; V37-L50 PolarHBondContact O-N 3.11Å; T39-L50 HydrophobicContact CG2-CD2 4.2Å; T39-L50 HydrophobicContact CG2-CG 4.23Å; L50-V52 PolarHBondContact O-N 3.34Å; L50-L84 HydrophobicContact CD1-CD2 4.05Å | ||
| 51 | P | 88.5 | Confident | 91.2 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.9 | 45.5 | -178.1 | 35.2 | -38.1 | 0 | 0 | 0 | 111.6 | R87 | P51-R87 HydrophobicContact CG-CB 3.92Š|
| 52 | V | 88.2 | Confident | 91.4 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.085 | 21% | 0.205 | C | C | . | . | trans | -134.2 | 137.2 | -176.2 | 176.1 | 0 | 0 | 0 | 0 | 109 | L50 L82 V89 | L50-V52 PolarHBondContact O-N 3.34Å; V52-L82 HydrophobicContact CB-CD2 4.12Å; V52-L82 HydrophobicContact CG1-CD1 4.28Å; V52-L82 HydrophobicContact CG1-CD2 3.87Å; V52-L82 HydrophobicContact CG2-CD2 3.59Å; V52-V89 HydrophobicContact CB-CG2 4.44Å; V52-V89 HydrophobicContact CG1-CG2 3.61Å; V52-V89 HydrophobicContact CG2-CG2 3.96Å | ||
| 53 | E | 91.8 | Very high | 91.5 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 23% | 0.229 | 21% | 0.212 | C | C | . | . | trans | -119.5 | 132.8 | 175.7 | -61.1 | -169.5 | 166 | 0 | 0 | 109.6 | K36 T633 | K36-E53 WeakPolarHBondContact CE-OE1 3.48Å; K36-E53 HydrophobicContact CG-CG 4.16Å; K36-E53 IonicContact NZ-OE1 3.98Å; K36-E53 PolarHBondContact NZ-OE1 2.84Å; E53-T633 WeakPolarHBondContact CB-OG1 3.46Å; E53-T633 PolarHBondContact OE2-N 3.4Å; E53-T633 PolarHBondContact OE2-OG1 3.36Å | ||
| 54 | T | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -89 | 167.5 | 168 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | N35 G56 V58 L72 F80 | N35-T54 VanDerWaalsContact CA-OG1 3.3Å; N35-T54 WeakPolarHBondContact CA-OG1 3.3Å; N35-T54 WeakPolarHBondContact CB-O 3.35Å; N35-T54 WeakPolarHBondContact CB-OG1 3.33Å; N35-T54 PolarHBondContact ND2-O 3.33Å; N35-T54 PolarHBondContact O-N 3.4Å; N35-T54 PolarHBondContact O-OG1 3.27Å; T54-G56 PolarHBondContact OG1-O 3.48Å; T54-V58 HydrophobicContact CG2-CG2 3.96Å; T54-V58 WeakPolarHBondContact OG1-CG2 3.36Å; T54-L72 HydrophobicContact CG2-CB 4.31Å; T54-L72 HydrophobicContact CG2-CD1 4.32Å; T54-F80 HydrophobicContact CG2-CD2 3.52Å; T54-F80 HydrophobicContact CG2-CE2 3.75Å; T54-F80 HydrophobicContact CG2-CG 4.01Å; T54-F80 HydrophobicContact CG2-CZ 4.39Å | ||
| 55 | T | 91.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.1 | -28.5 | -176 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | D74 D78 F80 N634 R635 | T55-D74 PolarHBondContact N-OD2 3.24Å; T55-D74 PolarHBondContact OG1-OD2 3.07Å; T55-D78 PolarHBondContact OG1-OD2 3.03Å; T55-F80 HydrophobicContact CG2-CZ 4.21Å; T55-N634 CarbonylContact O-C 3.56Å; T55-N634 WeakPolarHBondContact O-CA 3.29Å; T55-R635 PolarHBondContact O-N 3.4Å |
| 56 | G | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -124.6 | -170.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N35 T54 V58 D74 N634 | N35-G56 WeakPolarHBondContact CA-O 3.28Å; N35-G56 WeakPolarHBondContact CB-O 3.25Å; T54-G56 PolarHBondContact OG1-O 3.48Å; G56-V58 PolarHBondContact O-N 3.1Å; G56-D74 PolarHBondContact N-OD2 2.81Å; G56-N634 WeakPolarHBondContact CA-OD1 3.3Å |
| 57 | N | 93.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | trans | -65.3 | 135 | 172.1 | -61.8 | -44.9 | 0 | 0 | 0 | 111.3 | G34 Q59 D74 E75 N634 S636 | G34-N57 WeakPolarHBondContact CA-OD1 3.47Å; G34-N57 CarbonylContact O-C 3.54Å; G34-N57 WeakPolarHBondContact O-CA 3.36Å; N57-Q59 PolarHBondContact O-N 2.74Å; N57-D74 CarbonylContact O-C 3.53Å; N57-D74 VanDerWaalsContact O-CA 3.29Å; N57-D74 WeakPolarHBondContact O-CA 3.24Å; N57-E75 PolarHBondContact ND2-OE2 3.4Å; N57-E75 PolarHBondContact O-N 3.24Å; N57-N634 PolarHBondContact OD1-ND2 3.19Å; N57-S636 PolarHBondContact N-OG 3.46Å; N57-S636 VanDerWaalsContact ND2-CB 3.27Å; N57-S636 WeakPolarHBondContact ND2-CB 2.99Å; N57-S636 PolarHBondContact ND2-OG 3.04Å; N57-S636 VanDerWaalsContact ND2-OG 3.16Å | ||
| 58 | V | 95.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | P32 G34 V37 T54 G56 M61 L72 | P32-V58 HydrophobicContact CB-CB 4Å; P32-V58 HydrophobicContact CB-CG1 4.17Å; G34-V58 PolarHBondContact O-N 3.46Å; V37-V58 HydrophobicContact CG2-CG2 4.33Å; T54-V58 HydrophobicContact CG2-CG2 3.96Å; T54-V58 WeakPolarHBondContact OG1-CG2 3.36Å; G56-V58 PolarHBondContact O-N 3.1Å; V58-M61 HydrophobicContact CG1-CG 3.71Å; V58-M61 HydrophobicContact CG1-SD 4.41Å; V58-L72 HydrophobicContact CG1-CD2 4.48Å |
| 59 | Q | 93.2 | Very high | 91.6 | Very high | 55 Ų | 55 | 26.5 Ų | 26.5 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -39.8 | 176.1 | -69.9 | -158.8 | -1.7 | 0 | 0 | 112.2 | G18 N19 N57 I73 E75 | G18-Q59 CarbonylContact C-O 3.51Å; G18-Q59 WeakPolarHBondContact CA-O 3.41Å; N19-Q59 PolarHBondContact N-O 3.12Å; N19-Q59 VanDerWaalsContact N-O 3.14Å; N19-Q59 PolarHBondContact OD1-O 2.84Å; N57-Q59 PolarHBondContact O-N 2.74Å; Q59-I73 PolarHBondContact N-O 3.19Å; Q59-E75 HydrophobicContact CG-CB 4Å; Q59-E75 VanDerWaalsContact NE2-CB 3.29Å |
| 60 | V | 95 | Very high | 91.6 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.9 | -175 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | N19 L72 I73 V99 R100 A102 | N19-V60 VanDerWaalsContact OD1-CA 3.32Å; N19-V60 WeakPolarHBondContact OD1-CA 3.24Å; V60-L72 CarbonylContact O-C 3.5Å; V60-L72 WeakPolarHBondContact O-CA 3.46Å; V60-I73 HydrophobicContact CB-CB 4.25Å; V60-I73 PolarHBondContact N-O 2.99Å; V60-I73 VanDerWaalsContact N-O 3.08Å; V60-I73 PolarHBondContact O-N 2.96Å; V60-V99 HydrophobicContact CG2-CG1 4.46Å; V60-V99 WeakPolarHBondContact CG2-O 3.37Å; V60-R100 WeakPolarHBondContact CG2-O 3.37Å; V60-A102 HydrophobicContact CG1-CB 3.79Å |
| 61 | M | 95.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.8 | 167.7 | -56.9 | -162.5 | -68.5 | 0 | 0 | 108.7 | N19 L21 L30 P32 V37 V58 I70 L71 L72 | N19-M61 PolarHBondContact ND2-O 3.27Å; N19-M61 WeakPolarHBondContact O-CE 3.38Å; N19-M61 PolarHBondContact OD1-N 2.99Å; L21-M61 HydrophobicContact CD1-CB 3.64Å; L21-M61 WeakPolarHBondContact CD1-O 3.17Å; L21-M61 HydrophobicContact CG-CB 4.24Å; L30-M61 HydrophobicContact CB-CE 4.04Å; L30-M61 WeakPolarHBondContact O-CE 3.5Å; P32-M61 HydrophobicContact CG-CE 4.36Å; V37-M61 HydrophobicContact CB-SD 4.24Å; V37-M61 HydrophobicContact CG1-CE 4.5Å; V37-M61 HydrophobicContact CG1-SD 3.6Å; V37-M61 VanDerWaalsContact CG1-SD 3.6Å; V37-M61 HydrophobicContact CG2-SD 3.55Å; V37-M61 VanDerWaalsContact CG2-SD 3.55Å; V58-M61 HydrophobicContact CG1-CG 3.71Å; V58-M61 HydrophobicContact CG1-SD 4.41Å; M61-I70 HydrophobicContact CB-CD1 4.39Å; M61-L71 CarbonylContact C-O 3.52Å; M61-L71 WeakPolarHBondContact CA-O 3.42Å; M61-L72 HydrophobicContact CB-CD2 4.09Å; M61-L72 HydrophobicContact CG-CD2 3.56Å; M61-L72 HydrophobicContact SD-CD2 3.78Å |
| 62 | A | 94.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 5% | 0.05 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 122.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I70 L71 A102 F104 | A62-I70 WeakPolarHBondContact O-CA 3.42Å; A62-I70 WeakPolarHBondContact O-CG1 3.38Å; A62-L71 HydrophobicContact CB-CB 4.42Å; A62-L71 PolarHBondContact N-O 2.69Å; A62-L71 PolarHBondContact O-N 2.88Å; A62-A102 HydrophobicContact CB-CB 4.43Å; A62-F104 HydrophobicContact CB-CD2 3.74Å; A62-F104 HydrophobicContact CB-CE2 3.71Å; A62-F104 VanDerWaalsContact O-CE2 3.28Å; A62-F104 WeakPolarHBondContact O-CE2 3.42Å |
| 63 | L | 93.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 16% | 0.162 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139 | 177 | -87.8 | 163.9 | 0 | 0 | 0 | 110.5 | L21 L30 I70 L84 F104 | L21-L63 HydrophobicContact CB-CD1 4.02Å; L21-L63 HydrophobicContact CD1-CB 4.21Å; L21-L63 HydrophobicContact CD1-CD1 3.92Å; L21-L63 HydrophobicContact CD1-CG 3.8Å; L30-L63 HydrophobicContact CD1-CD1 3.68Å; L30-L63 HydrophobicContact CD1-CD2 4Å; L30-L63 HydrophobicContact CD1-CG 3.96Å; L63-I70 HydrophobicContact CD2-CB 4.13Å; L63-I70 HydrophobicContact CD2-CD1 4.14Å; L63-I70 HydrophobicContact CD2-CG1 4.21Å; L63-I70 HydrophobicContact CG-CD1 4.16Å; L63-I70 HydrophobicContact CG-CG1 4.3Å; L63-L84 HydrophobicContact CD2-CD1 3.48Å; L63-L84 VanDerWaalsContact CD2-CD1 3.48Å; L63-F104 WeakPolarHBondContact O-CD2 2.93Å |
| 64 | D | 91.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 19.8 Ų | 19.8 | 9% | 0.086 | 11% | 0.114 | C | C | . | . | trans | -68.9 | 141.6 | 167.5 | -178.4 | 71.7 | 0 | 0 | 0 | 110.2 | S66 E67 A69 F104 | D64-S66 PolarHBondContact O-N 2.83Å; D64-S66 VanDerWaalsContact O-N 3.08Å; D64-S66 VanDerWaalsContact OD2-CB 3.23Å; D64-S66 WeakPolarHBondContact OD2-CB 3.45Å; D64-S66 PolarHBondContact OD2-N 3.03Å; D64-S66 PolarHBondContact OD2-OG 2.78Å; D64-E67 WeakPolarHBondContact O-CA 3.23Å; D64-E67 PolarHBondContact O-N 2.67Å; D64-A69 HydrophobicContact CB-CB 4.35Å; D64-A69 WeakPolarHBondContact CB-O 3.44Å; D64-A69 PolarHBondContact N-O 3.29Å; D64-F104 HydrophobicContact CB-CD1 4.38Å; D64-F104 HydrophobicContact CB-CE1 4.29Å | ||
| 65 | P | 89.1 | Confident | 92.5 | Very high | 63 Ų | 63 | 22.3 Ų | 22.3 | 41% | 0.409 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.1 | -179.7 | -26.1 | 35 | 0 | 0 | 0 | 114.8 | E67 F104 S105 | P65-E67 VanDerWaalsContact C-N 3.3Å; P65-F104 HydrophobicContact CG-CB 4.41Å; P65-S105 VanDerWaalsContact CG-O 3.27Å; P65-S105 WeakPolarHBondContact CG-O 3.35Å |
| 66 | S | 85.8 | Confident | 92.3 | Very high | 68 Ų | 68 | 24.5 Ų | 24.5 | 48% | 0.476 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.5 | 174.6 | 75.3 | 0 | 0 | 0 | 0 | 114.2 | D64 T68 | D64-S66 PolarHBondContact O-N 2.83Å; D64-S66 VanDerWaalsContact O-N 3.08Å; D64-S66 VanDerWaalsContact OD2-CB 3.23Å; D64-S66 WeakPolarHBondContact OD2-CB 3.45Å; D64-S66 PolarHBondContact OD2-N 3.03Å; D64-S66 PolarHBondContact OD2-OG 2.78Å; S66-T68 PolarHBondContact O-N 2.89Å; S66-T68 VanDerWaalsContact O-N 3.13Å; S66-T68 WeakPolarHBondContact OG-CG2 3.43Å; S66-T68 PolarHBondContact OG-OG1 2.83Å |
| 67 | E | 85.4 | Confident | 92.3 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 25% | 0.248 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 60.6 | 13.3 | -175.8 | -47.8 | -146 | 96 | 0 | 0 | 115.8 | A23 S24 G25 D64 P65 L84 | A23-E67 VanDerWaalsContact C-OE1 3.25Å; A23-E67 WeakPolarHBondContact CA-OE1 3.43Å; A23-E67 VanDerWaalsContact CB-OE1 3.27Å; A23-E67 WeakPolarHBondContact CB-OE1 3.46Å; S24-E67 WeakPolarHBondContact CB-OE1 3.13Å; S24-E67 WeakPolarHBondContact CB-OE2 3.33Å; S24-E67 PolarHBondContact N-OE1 3.23Å; S24-E67 PolarHBondContact N-OE2 3.23Å; S24-E67 WeakPolarHBondContact OG-CG 3.29Å; S24-E67 PolarHBondContact OG-OE2 2.54Å; G25-E67 PolarHBondContact N-OE2 3.12Å; D64-E67 WeakPolarHBondContact O-CA 3.23Å; D64-E67 PolarHBondContact O-N 2.67Å; P65-E67 VanDerWaalsContact C-N 3.3Å; E67-L84 WeakPolarHBondContact O-CD1 3.37Å |
| 68 | T | 88.9 | Confident | 92.3 | Very high | 31 Ų | 31 | 23.8 Ų | 23.8 | 19% | 0.19 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -82.1 | -28.2 | 178.9 | 57.8 | 0 | 0 | 0 | 0 | 112 | S66 N83 L84 L127 | S66-T68 PolarHBondContact O-N 2.89Å; S66-T68 VanDerWaalsContact O-N 3.13Å; S66-T68 WeakPolarHBondContact OG-CG2 3.43Å; S66-T68 PolarHBondContact OG-OG1 2.83Å; T68-N83 PolarHBondContact O-OD1 3.25Å; T68-L84 PolarHBondContact O-N 2.85Å; T68-L127 HydrophobicContact CG2-CD1 4.08Å; T68-L127 WeakPolarHBondContact OG1-CD1 3.48Å |
| 69 | A | 91.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D64 Y81 L82 L127 | D64-A69 HydrophobicContact CB-CB 4.35Å; D64-A69 WeakPolarHBondContact CB-O 3.44Å; D64-A69 PolarHBondContact N-O 3.29Å; A69-Y81 HydrophobicContact CB-CE1 4.25Å; A69-Y81 HydrophobicContact CB-CE2 3.71Å; A69-Y81 WeakPolarHBondContact CB-OH 3.31Å; A69-L82 CarbonylContact C-O 3.46Å; A69-L82 WeakPolarHBondContact CA-O 3.46Å; A69-L82 VanDerWaalsContact CB-O 3.24Å; A69-L82 WeakPolarHBondContact CB-O 3.5Å; A69-L127 HydrophobicContact CB-CD2 4.07Å |
| 70 | I | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.8 | 175 | -169.2 | 170.8 | 0 | 0 | 0 | 109.8 | L21 L30 M61 A62 L63 L72 L82 L84 | L21-I70 HydrophobicContact CD1-CD1 4.47Å; L30-I70 HydrophobicContact CD1-CD1 3.56Å; M61-I70 HydrophobicContact CB-CD1 4.39Å; A62-I70 WeakPolarHBondContact O-CA 3.42Å; A62-I70 WeakPolarHBondContact O-CG1 3.38Å; L63-I70 HydrophobicContact CD2-CB 4.13Å; L63-I70 HydrophobicContact CD2-CD1 4.14Å; L63-I70 HydrophobicContact CD2-CG1 4.21Å; L63-I70 HydrophobicContact CG-CD1 4.16Å; L63-I70 HydrophobicContact CG-CG1 4.3Å; I70-L72 HydrophobicContact CD1-CD2 3.88Å; I70-L72 HydrophobicContact CG1-CD2 4.02Å; I70-L82 HydrophobicContact CG2-CB 3.56Å; I70-L82 HydrophobicContact CG2-CD1 3.91Å; I70-L82 HydrophobicContact CG2-CG 4.34Å; I70-L82 PolarHBondContact N-O 3.33Å; I70-L82 PolarHBondContact O-N 2.98Å; I70-L84 HydrophobicContact CB-CD1 4.26Å; I70-L84 HydrophobicContact CB-CD2 4.27Å; I70-L84 HydrophobicContact CB-CG 4.28Å; I70-L84 HydrophobicContact CG2-CD1 4.48Å; I70-L84 HydrophobicContact CG2-CD2 3.65Å; I70-L84 HydrophobicContact CG2-CG 4Å |
| 71 | L | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.9 | 170.8 | -175.1 | 69.9 | 0 | 0 | 0 | 108.6 | M61 A62 I73 A79 Y81 F104 F111 F135 | M61-L71 CarbonylContact C-O 3.52Å; M61-L71 WeakPolarHBondContact CA-O 3.42Å; A62-L71 HydrophobicContact CB-CB 4.42Å; A62-L71 PolarHBondContact N-O 2.69Å; A62-L71 PolarHBondContact O-N 2.88Å; L71-I73 HydrophobicContact CD2-CD1 4.07Å; L71-I73 HydrophobicContact CD2-CG1 4.4Å; L71-I73 HydrophobicContact CG-CD1 4.4Å; L71-I73 HydrophobicContact CG-CG1 4.19Å; L71-A79 HydrophobicContact CD1-CB 4.19Å; L71-Y81 HydrophobicContact CD1-CD2 4.33Å; L71-F104 HydrophobicContact CB-CE2 3.89Å; L71-F104 HydrophobicContact CB-CZ 4.04Å; L71-F111 HydrophobicContact CD2-CD2 3.84Å; L71-F111 HydrophobicContact CD2-CE2 3.88Å; L71-F135 HydrophobicContact CD1-CE2 4.4Å; L71-F135 HydrophobicContact CD1-CZ 3.91Å |
| 72 | L | 95.8 | Very high | 92 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.8 | 171.5 | -53.4 | -177.9 | 0 | 0 | 0 | 109.2 | V37 T54 V58 V60 M61 I70 A79 F80 L82 | V37-L72 HydrophobicContact CG2-CD1 3.65Å; V37-L72 HydrophobicContact CG2-CD2 3.78Å; V37-L72 HydrophobicContact CG2-CG 4.38Å; T54-L72 HydrophobicContact CG2-CB 4.31Å; T54-L72 HydrophobicContact CG2-CD1 4.32Å; V58-L72 HydrophobicContact CG1-CD2 4.48Å; V60-L72 CarbonylContact O-C 3.5Å; V60-L72 WeakPolarHBondContact O-CA 3.46Å; M61-L72 HydrophobicContact CB-CD2 4.09Å; M61-L72 HydrophobicContact CG-CD2 3.56Å; M61-L72 HydrophobicContact SD-CD2 3.78Å; I70-L72 HydrophobicContact CD1-CD2 3.88Å; I70-L72 HydrophobicContact CG1-CD2 4.02Å; L72-A79 CarbonylContact O-C 3.49Å; L72-A79 VanDerWaalsContact O-CA 3.22Å; L72-A79 WeakPolarHBondContact O-CA 3.43Å; L72-F80 HydrophobicContact CB-CB 4.39Å; L72-F80 PolarHBondContact N-O 2.84Å; L72-F80 PolarHBondContact O-N 2.83Å; L72-L82 HydrophobicContact CD1-CD1 3.28Å; L72-L82 HydrophobicContact CG-CD1 3.67Å |
| 73 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.8 | 175.8 | -48.1 | 172.3 | 0 | 0 | 0 | 108.4 | Q59 V60 L71 D78 A79 F95 V99 A102 V113 | Q59-I73 PolarHBondContact N-O 3.19Å; V60-I73 HydrophobicContact CB-CB 4.25Å; V60-I73 PolarHBondContact N-O 2.99Å; V60-I73 VanDerWaalsContact N-O 3.08Å; V60-I73 PolarHBondContact O-N 2.96Å; L71-I73 HydrophobicContact CD2-CD1 4.07Å; L71-I73 HydrophobicContact CD2-CG1 4.4Å; L71-I73 HydrophobicContact CG-CD1 4.4Å; L71-I73 HydrophobicContact CG-CG1 4.19Å; I73-D78 WeakPolarHBondContact CA-O 3.44Å; I73-A79 HydrophobicContact CG1-CB 3.96Å; I73-F95 HydrophobicContact CD1-CE2 3.9Å; I73-F95 HydrophobicContact CG1-CE2 4.39Å; I73-F95 HydrophobicContact CG2-CD2 4.37Å; I73-V99 HydrophobicContact CD1-CB 4.19Å; I73-V99 HydrophobicContact CD1-CG1 3.72Å; I73-V99 HydrophobicContact CD1-CG2 4.38Å; I73-V99 HydrophobicContact CG2-CB 3.86Å; I73-V99 HydrophobicContact CG2-CG2 4.02Å; I73-A102 HydrophobicContact CD1-CB 3.89Å; I73-V113 HydrophobicContact CD1-CG1 4.36Å |
| 74 | D | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 175.1 | 178.8 | 70.8 | 17.6 | 0 | 0 | 0 | 113.2 | T55 G56 N57 Y76 G77 D78 | T55-D74 PolarHBondContact N-OD2 3.24Å; T55-D74 PolarHBondContact OG1-OD2 3.07Å; G56-D74 PolarHBondContact N-OD2 2.81Å; N57-D74 CarbonylContact O-C 3.53Å; N57-D74 VanDerWaalsContact O-CA 3.29Å; N57-D74 WeakPolarHBondContact O-CA 3.24Å; D74-Y76 PolarHBondContact O-N 2.81Å; D74-Y76 PolarHBondContact OD1-N 2.92Å; D74-G77 PolarHBondContact O-N 2.89Å; D74-G77 PolarHBondContact OD1-N 2.72Å; D74-G77 VanDerWaalsContact OD1-N 3.16Å; D74-D78 PolarHBondContact N-O 3.13Å; D74-D78 WeakPolarHBondContact OD1-CB 3.21Å; D74-D78 PolarHBondContact OD1-N 3Å |
| 75 | E | 90.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 28.9 Ų | 28.9 | 25% | 0.248 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.5 | 179.7 | 66.4 | -175.7 | -161.3 | 0 | 0 | 114.6 | N57 Q59 S636 | N57-E75 PolarHBondContact ND2-OE2 3.4Å; N57-E75 PolarHBondContact O-N 3.24Å; Q59-E75 HydrophobicContact CG-CB 4Å; Q59-E75 VanDerWaalsContact NE2-CB 3.29Å; E75-S636 WeakPolarHBondContact OE1-CB 3.39Å; E75-S636 PolarHBondContact OE1-OG 3.34Å; E75-S636 PolarHBondContact OE2-OG 2.95Å |
| 76 | Y | 89.3 | Confident | 91.3 | Very high | 76 Ų | 76 | 28.8 Ų | 28.8 | 30% | 0.298 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6 | 178.2 | -57.7 | -67.5 | 0 | 0 | 0 | 112.6 | D74 R635 | D74-Y76 PolarHBondContact O-N 2.81Å; D74-Y76 PolarHBondContact OD1-N 2.92Å; Y76-R635 HydrophobicContact CE2-CB 3.99Å; Y76-R635 PolarHBondContact OH-O 3.02Å |
| 77 | G | 91.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | 83.7 | 17 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D74 F95 | D74-G77 PolarHBondContact O-N 2.89Å; D74-G77 PolarHBondContact OD1-N 2.72Å; D74-G77 VanDerWaalsContact OD1-N 3.16Å; G77-F95 WeakPolarHBondContact O-CB 3.41Å; G77-F95 WeakPolarHBondContact O-CD2 3.22Å; G77-F95 PolarHBondContact O-N 2.98Å | ||
| 78 | D | 93.8 | Very high | 91.5 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 17% | 0.171 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.5 | 169 | -75.9 | -40.8 | 0 | 0 | 0 | 110.2 | T55 I73 D74 F80 H94 | T55-D78 PolarHBondContact OG1-OD2 3.03Å; I73-D78 WeakPolarHBondContact CA-O 3.44Å; D74-D78 PolarHBondContact N-O 3.13Å; D74-D78 WeakPolarHBondContact OD1-CB 3.21Å; D74-D78 PolarHBondContact OD1-N 3Å; D78-F80 HydrophobicContact CB-CE2 3.85Å; D78-F80 HydrophobicContact CB-CZ 4.48Å; D78-H94 WeakPolarHBondContact OD1-CB 3.44Å; D78-H94 IonicContact OD1-CE1 3.6Å; D78-H94 IonicContact OD1-CG 3.27Å; D78-H94 VanDerWaalsContact OD1-CG 3.3Å; D78-H94 IonicContact OD1-ND1 3.73Å; D78-H94 PolarHBondContact OD1-ND1 2.9Å |
| 79 | A | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L71 L72 I73 R92 Y93 F95 | L71-A79 HydrophobicContact CD1-CB 4.19Å; L72-A79 CarbonylContact O-C 3.49Å; L72-A79 VanDerWaalsContact O-CA 3.22Å; L72-A79 WeakPolarHBondContact O-CA 3.43Å; I73-A79 HydrophobicContact CG1-CB 3.96Å; A79-R92 CarbonylContact O-C 3.49Å; A79-R92 VanDerWaalsContact O-CA 3.27Å; A79-R92 WeakPolarHBondContact O-CA 3.23Å; A79-Y93 WeakPolarHBondContact CA-O 3.31Å; A79-Y93 WeakPolarHBondContact CB-O 3.48Å; A79-Y93 PolarHBondContact N-O 2.89Å; A79-Y93 PolarHBondContact O-N 2.96Å; A79-F95 HydrophobicContact CB-CD2 3.97Å; A79-F95 HydrophobicContact CB-CE2 3.43Å; A79-F95 VanDerWaalsContact CB-CE2 3.43Å; A79-F95 HydrophobicContact CB-CZ 4.29Å |
| 80 | F | 93.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.5 | -179.1 | -63.4 | -103.9 | 0 | 0 | 0 | 108.6 | T54 T55 L72 D78 V89 R92 | T54-F80 HydrophobicContact CG2-CD2 3.52Å; T54-F80 HydrophobicContact CG2-CE2 3.75Å; T54-F80 HydrophobicContact CG2-CG 4.01Å; T54-F80 HydrophobicContact CG2-CZ 4.39Å; T55-F80 HydrophobicContact CG2-CZ 4.21Å; L72-F80 HydrophobicContact CB-CB 4.39Å; L72-F80 PolarHBondContact N-O 2.84Å; L72-F80 PolarHBondContact O-N 2.83Å; D78-F80 HydrophobicContact CB-CE2 3.85Å; D78-F80 HydrophobicContact CB-CZ 4.48Å; F80-V89 HydrophobicContact CD1-CG1 4.26Å; F80-R92 HydrophobicContact CD1-CG 3.84Å; F80-R92 HydrophobicContact CE1-CG 4Å |
| 81 | Y | 93.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.1 | 174.2 | -168.1 | -119.9 | 0 | 0 | 0 | 109.8 | A69 L71 L90 H91 F104 P125 F135 | A69-Y81 HydrophobicContact CB-CE1 4.25Å; A69-Y81 HydrophobicContact CB-CE2 3.71Å; A69-Y81 WeakPolarHBondContact CB-OH 3.31Å; L71-Y81 HydrophobicContact CD1-CD2 4.33Å; Y81-L90 HydrophobicContact CD1-CB 3.96Å; Y81-L90 HydrophobicContact CD1-CD1 3.9Å; Y81-L90 HydrophobicContact CD1-CG 4.47Å; Y81-L90 HydrophobicContact CE1-CD1 3.79Å; Y81-L90 PolarHBondContact O-N 3.09Å; Y81-H91 PolarHBondContact N-O 3.37Å; Y81-H91 PolarHBondContact O-N 2.78Å; Y81-F104 HydrophobicContact CE2-CZ 4.21Å; Y81-P125 HydrophobicContact CD1-CG 3.91Å; Y81-P125 HydrophobicContact CE1-CG 3.51Å; Y81-F135 HydrophobicContact CD2-CE1 4.4Å; Y81-F135 HydrophobicContact CD2-CZ 4.36Å; Y81-F135 HydrophobicContact CG-CE1 4.18Å; Y81-F135 HydrophobicContact CG-CZ 4.11Å |
| 82 | L | 92.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.8 | -168.8 | -73.8 | 168.5 | 0 | 0 | 0 | 111.3 | V52 A69 I70 L72 T88 V89 | V52-L82 HydrophobicContact CB-CD2 4.12Å; V52-L82 HydrophobicContact CG1-CD1 4.28Å; V52-L82 HydrophobicContact CG1-CD2 3.87Å; V52-L82 HydrophobicContact CG2-CD2 3.59Å; A69-L82 CarbonylContact C-O 3.46Å; A69-L82 WeakPolarHBondContact CA-O 3.46Å; A69-L82 VanDerWaalsContact CB-O 3.24Å; A69-L82 WeakPolarHBondContact CB-O 3.5Å; I70-L82 HydrophobicContact CG2-CB 3.56Å; I70-L82 HydrophobicContact CG2-CD1 3.91Å; I70-L82 HydrophobicContact CG2-CG 4.34Å; I70-L82 PolarHBondContact N-O 3.33Å; I70-L82 PolarHBondContact O-N 2.98Å; L72-L82 HydrophobicContact CD1-CD1 3.28Å; L72-L82 HydrophobicContact CG-CD1 3.67Å; L82-T88 WeakPolarHBondContact CA-O 3.4Å; L82-V89 HydrophobicContact CD2-CB 4.12Å; L82-V89 HydrophobicContact CD2-CG2 3.63Å |
| 83 | N | 90.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.4 | 165.1 | 179 | -17.1 | 0 | 0 | 0 | 109.1 | T68 L85 S86 R87 T88 L90 | T68-N83 PolarHBondContact O-OD1 3.25Å; N83-L85 WeakPolarHBondContact OD1-CB 3.49Å; N83-L85 PolarHBondContact OD1-N 2.81Å; N83-S86 WeakPolarHBondContact CB-OG 3.36Å; N83-S86 PolarHBondContact ND2-OG 2.99Å; N83-S86 PolarHBondContact OD1-N 3.1Å; N83-R87 VanDerWaalsContact O-CA 3.23Å; N83-R87 WeakPolarHBondContact O-CA 3.33Å; N83-R87 PolarHBondContact O-N 2.81Å; N83-T88 PolarHBondContact N-O 3.44Å; N83-T88 PolarHBondContact O-N 3.21Å; N83-L90 HydrophobicContact CB-CD1 3.97Å; N83-L90 HydrophobicContact CB-CD2 4.09Å; N83-L90 HydrophobicContact CB-CG 3.98Å |
| 84 | L | 88.1 | Confident | 90.8 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -31 | -176.8 | -72.4 | 173.3 | 0 | 0 | 0 | 113 | L50 L63 E67 T68 I70 R87 | L50-L84 HydrophobicContact CD1-CD2 4.05Å; L63-L84 HydrophobicContact CD2-CD1 3.48Å; L63-L84 VanDerWaalsContact CD2-CD1 3.48Å; E67-L84 WeakPolarHBondContact O-CD1 3.37Å; T68-L84 PolarHBondContact O-N 2.85Å; I70-L84 HydrophobicContact CB-CD1 4.26Å; I70-L84 HydrophobicContact CB-CD2 4.27Å; I70-L84 HydrophobicContact CB-CG 4.28Å; I70-L84 HydrophobicContact CG2-CD1 4.48Å; I70-L84 HydrophobicContact CG2-CD2 3.65Å; I70-L84 HydrophobicContact CG2-CG 4Å; L84-R87 WeakPolarHBondContact O-CG 3.47Å |
| 85 | L | 87.4 | Confident | 90.6 | Very high | 145 Ų | 145 | 51.2 Ų | 51.2 | 76% | 0.759 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -48.4 | 179.9 | -66.7 | 170.4 | 0 | 0 | 0 | 111.8 | N83 | N83-L85 WeakPolarHBondContact OD1-CB 3.49Å; N83-L85 PolarHBondContact OD1-N 2.81Å |
| 86 | S | 86.3 | Confident | 90.4 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 42% | 0.42 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -13.7 | 178.4 | 62 | 0 | 0 | 0 | 0 | 113.2 | N83 T88 | N83-S86 WeakPolarHBondContact CB-OG 3.36Å; N83-S86 PolarHBondContact ND2-OG 2.99Å; N83-S86 PolarHBondContact OD1-N 3.1Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 WeakPolarHBondContact O-CG2 3.43Å; S86-T88 PolarHBondContact O-N 2.66Å; S86-T88 PolarHBondContact OG-OG1 2.98Å |
| 87 | R | 87.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.6 | -176.1 | -52.4 | 179.2 | -174.5 | -160.8 | -4.1 | 112.4 | E48 P51 N83 L84 | E48-R87 IonicContact OE2-CZ 2.66Å; E48-R87 IonicContact OE2-NH1 2.77Å; E48-R87 PolarHBondContact OE2-NH1 3.49Å; E48-R87 IonicContact OE2-NH2 3.3Å; E48-R87 PolarHBondContact OE2-NH2 3.14Å; P51-R87 HydrophobicContact CG-CB 3.92Å; N83-R87 VanDerWaalsContact O-CA 3.23Å; N83-R87 WeakPolarHBondContact O-CA 3.33Å; N83-R87 PolarHBondContact O-N 2.81Å; L84-R87 WeakPolarHBondContact O-CG 3.47Å |
| 88 | T | 88 | Confident | 90.1 | Very high | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.3 | -177.1 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | L82 N83 S86 L90 | L82-T88 WeakPolarHBondContact CA-O 3.4Å; N83-T88 PolarHBondContact N-O 3.44Å; N83-T88 PolarHBondContact O-N 3.21Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 WeakPolarHBondContact O-CG2 3.43Å; S86-T88 PolarHBondContact O-N 2.66Å; S86-T88 PolarHBondContact OG-OG1 2.98Å; T88-L90 PolarHBondContact O-N 2.88Å |
| 89 | V | 89.7 | Confident | 90 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.5 | 171.1 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | V52 F80 L82 H91 R92 | V52-V89 HydrophobicContact CB-CG2 4.44Å; V52-V89 HydrophobicContact CG1-CG2 3.61Å; V52-V89 HydrophobicContact CG2-CG2 3.96Å; F80-V89 HydrophobicContact CD1-CG1 4.26Å; L82-V89 HydrophobicContact CD2-CB 4.12Å; L82-V89 HydrophobicContact CD2-CG2 3.63Å; V89-H91 WeakPolarHBondContact CG1-O 3.48Å; V89-R92 HydrophobicContact CG1-CG 3.91Å |
| 90 | L | 89.3 | Confident | 89.8 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -43.6 | 175 | -61.5 | -176.5 | 0 | 0 | 0 | 111.5 | Y81 N83 T88 L127 | Y81-L90 HydrophobicContact CD1-CB 3.96Å; Y81-L90 HydrophobicContact CD1-CD1 3.9Å; Y81-L90 HydrophobicContact CD1-CG 4.47Å; Y81-L90 HydrophobicContact CE1-CD1 3.79Å; Y81-L90 PolarHBondContact O-N 3.09Å; N83-L90 HydrophobicContact CB-CD1 3.97Å; N83-L90 HydrophobicContact CB-CD2 4.09Å; N83-L90 HydrophobicContact CB-CG 3.98Å; T88-L90 PolarHBondContact O-N 2.88Å; L90-L127 HydrophobicContact CD1-CD2 4.1Å |
| 91 | H | 89.6 | Confident | 89.7 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.5 | -177.4 | -165.2 | -96.7 | 0 | 0 | 0 | 112.6 | Y81 V89 Y132 P134 F135 | Y81-H91 PolarHBondContact N-O 3.37Å; Y81-H91 PolarHBondContact O-N 2.78Å; V89-H91 WeakPolarHBondContact CG1-O 3.48Å; H91-Y132 PolarHBondContact NE2-O 2.79Å; H91-P134 HydrophobicContact CB-CG 3.8Å; H91-P134 WeakPolarHBondContact CD2-CD 3.47Å; H91-P134 WeakPolarHBondContact CD2-CG 3.41Å; H91-P134 WeakPolarHBondContact NE2-CD 3.45Å; H91-F135 AromaticContact ND1-CD2 3.88Å; H91-F135 AromaticContact ND1-CE2 3.94Å |
| 92 | R | 91.7 | Very high | 89.8 | Confident | 159 Ų | 159 | 61.9 Ų | 61.9 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.8 | 175.1 | -63.4 | -176.4 | -177 | -174.8 | -4.6 | 109.9 | A79 F80 V89 | A79-R92 CarbonylContact O-C 3.49Å; A79-R92 VanDerWaalsContact O-CA 3.27Å; A79-R92 WeakPolarHBondContact O-CA 3.23Å; F80-R92 HydrophobicContact CD1-CG 3.84Å; F80-R92 HydrophobicContact CE1-CG 4Å; V89-R92 HydrophobicContact CG1-CG 3.91Å |
| 93 | Y | 92.3 | Very high | 89.9 | Confident | 79 Ų | 79 | 65.5 Ų | 65.5 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 137.9 | -177.7 | -174.6 | -91 | 0 | 0 | 0 | 111.2 | A79 F95 F122 F135 | A79-Y93 WeakPolarHBondContact CA-O 3.31Å; A79-Y93 WeakPolarHBondContact CB-O 3.48Å; A79-Y93 PolarHBondContact N-O 2.89Å; A79-Y93 PolarHBondContact O-N 2.96Å; Y93-F95 AromaticContact CD1-CD1 3.78Å; Y93-F95 HydrophobicContact CD1-CD1 3.78Å; Y93-F95 HydrophobicContact CD1-CD2 4.34Å; Y93-F95 AromaticContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE2 4.23Å; Y93-F95 HydrophobicContact CD1-CG 4.13Å; Y93-F95 AromaticContact CD1-CZ 3.84Å; Y93-F95 HydrophobicContact CD1-CZ 3.84Å; Y93-F95 AromaticContact CE1-CD1 3.42Å; Y93-F95 HydrophobicContact CE1-CD1 3.42Å; Y93-F95 VanDerWaalsContact CE1-CD1 3.42Å; Y93-F95 AromaticContact CE1-CE1 3.42Å; Y93-F95 HydrophobicContact CE1-CE1 3.42Å; Y93-F95 VanDerWaalsContact CE1-CE1 3.42Å; Y93-F95 HydrophobicContact CE1-CG 4.1Å; Y93-F95 HydrophobicContact CE1-CZ 4.15Å; Y93-F122 HydrophobicContact CE1-CZ 4.35Å; Y93-F135 VanDerWaalsContact CB-CD2 3.49Å; Y93-F135 HydrophobicContact CD1-CD2 4.43Å; Y93-F135 HydrophobicContact CD2-CB 4.47Å; Y93-F135 AromaticContact CD2-CD2 3.96Å; Y93-F135 HydrophobicContact CD2-CD2 3.96Å; Y93-F135 AromaticContact CG-CD2 3.71Å; Y93-F135 HydrophobicContact CG-CD2 3.71Å; Y93-F135 HydrophobicContact CG-CE2 4.28Å |
| 94 | H | 93.2 | Very high | 90.1 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | -179.5 | -177.2 | 64.4 | 0 | 0 | 0 | 110.8 | D78 N96 | D78-H94 WeakPolarHBondContact OD1-CB 3.44Å; D78-H94 IonicContact OD1-CE1 3.6Å; D78-H94 IonicContact OD1-CG 3.27Å; D78-H94 VanDerWaalsContact OD1-CG 3.3Å; D78-H94 IonicContact OD1-ND1 3.73Å; D78-H94 PolarHBondContact OD1-ND1 2.9Å; H94-N96 PolarHBondContact CD2-OD1 3.37Å; H94-N96 WeakPolarHBondContact NE2-CA 3.44Å; H94-N96 PolarHBondContact NE2-OD1 3.39Å |
| 95 | F | 89.6 | Confident | 90.4 | Very high | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | trans | -84.9 | -6 | -176.1 | -75 | -64.9 | 0 | 0 | 0 | 115 | I73 G77 A79 Y93 K97 V99 V113 R115 F122 | I73-F95 HydrophobicContact CD1-CE2 3.9Å; I73-F95 HydrophobicContact CG1-CE2 4.39Å; I73-F95 HydrophobicContact CG2-CD2 4.37Å; G77-F95 WeakPolarHBondContact O-CB 3.41Å; G77-F95 WeakPolarHBondContact O-CD2 3.22Å; G77-F95 PolarHBondContact O-N 2.98Å; A79-F95 HydrophobicContact CB-CD2 3.97Å; A79-F95 HydrophobicContact CB-CE2 3.43Å; A79-F95 VanDerWaalsContact CB-CE2 3.43Å; A79-F95 HydrophobicContact CB-CZ 4.29Å; Y93-F95 AromaticContact CD1-CD1 3.78Å; Y93-F95 HydrophobicContact CD1-CD1 3.78Å; Y93-F95 HydrophobicContact CD1-CD2 4.34Å; Y93-F95 AromaticContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE2 4.23Å; Y93-F95 HydrophobicContact CD1-CG 4.13Å; Y93-F95 AromaticContact CD1-CZ 3.84Å; Y93-F95 HydrophobicContact CD1-CZ 3.84Å; Y93-F95 AromaticContact CE1-CD1 3.42Å; Y93-F95 HydrophobicContact CE1-CD1 3.42Å; Y93-F95 VanDerWaalsContact CE1-CD1 3.42Å; Y93-F95 AromaticContact CE1-CE1 3.42Å; Y93-F95 HydrophobicContact CE1-CE1 3.42Å; Y93-F95 VanDerWaalsContact CE1-CE1 3.42Å; Y93-F95 HydrophobicContact CE1-CG 4.1Å; Y93-F95 HydrophobicContact CE1-CZ 4.15Å; F95-K97 PolarHBondContact O-N 3.48Å; F95-V99 HydrophobicContact CB-CG2 4.05Å; F95-V99 HydrophobicContact CD2-CG2 3.66Å; F95-V99 HydrophobicContact CE2-CG2 4.32Å; F95-V99 HydrophobicContact CG-CG2 3.96Å; F95-V113 HydrophobicContact CD1-CG1 4.39Å; F95-V113 HydrophobicContact CD2-CG1 4.4Å; F95-V113 HydrophobicContact CE1-CB 4.39Å; F95-V113 HydrophobicContact CE1-CG1 4.04Å; F95-V113 HydrophobicContact CE1-CG2 4.36Å; F95-V113 HydrophobicContact CE2-CG1 3.99Å; F95-V113 HydrophobicContact CZ-CB 4.27Å; F95-V113 HydrophobicContact CZ-CG1 3.84Å; F95-V113 HydrophobicContact CZ-CG2 3.87Å; F95-R115 HydrophobicContact CB-CG 4.42Å; F95-R115 HydrophobicContact CD1-CG 4.49Å; F95-F122 AromaticContact CE1-CE2 3.6Å; F95-F122 HydrophobicContact CE1-CE2 3.6Å; F95-F122 AromaticContact CE1-CZ 3.67Å; F95-F122 HydrophobicContact CE1-CZ 3.67Å; F95-F122 HydrophobicContact CZ-CE2 4.25Å | ||
| 96 | N | 86.4 | Confident | 90.6 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 60.5 | -7.2 | -174.8 | -56.4 | -55.5 | 0 | 0 | 0 | 116.2 | H94 | H94-N96 PolarHBondContact CD2-OD1 3.37Å; H94-N96 WeakPolarHBondContact NE2-CA 3.44Å; H94-N96 PolarHBondContact NE2-OD1 3.39Å |
| 97 | K | 87.7 | Confident | 90.7 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -138.9 | 151.2 | -178.5 | -74.4 | -178.3 | 164.5 | -158.3 | 0 | 109.3 | F95 V99 R115 D116 | F95-K97 PolarHBondContact O-N 3.48Å; K97-V99 PolarHBondContact O-N 3.28Å; K97-R115 HydrophobicContact CB-CB 4.42Å; K97-D116 WeakPolarHBondContact CD-OD2 3.35Å; K97-D116 IonicContact NZ-OD2 3.34Å; K97-D116 PolarHBondContact NZ-OD2 3.01Å |
| 98 | P | 87.6 | Confident | 90.9 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | trans | -63.6 | 136.9 | 176.3 | 28.1 | -34.2 | 0 | 0 | 0 | 110.2 | ||||
| 99 | V | 92 | Very high | 91 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.7 | 177.1 | 177 | 0 | 0 | 0 | 0 | 108.5 | V60 I73 F95 K97 C101 V113 C114 R115 | V60-V99 HydrophobicContact CG2-CG1 4.46Å; V60-V99 WeakPolarHBondContact CG2-O 3.37Å; I73-V99 HydrophobicContact CD1-CB 4.19Å; I73-V99 HydrophobicContact CD1-CG1 3.72Å; I73-V99 HydrophobicContact CD1-CG2 4.38Å; I73-V99 HydrophobicContact CG2-CB 3.86Å; I73-V99 HydrophobicContact CG2-CG2 4.02Å; F95-V99 HydrophobicContact CB-CG2 4.05Å; F95-V99 HydrophobicContact CD2-CG2 3.66Å; F95-V99 HydrophobicContact CE2-CG2 4.32Å; F95-V99 HydrophobicContact CG-CG2 3.96Å; K97-V99 PolarHBondContact O-N 3.28Å; V99-C101 VanDerWaalsContact CG1-O 3.31Å; V99-C101 WeakPolarHBondContact CG1-O 3.43Å; V99-V113 HydrophobicContact CB-CG1 4.3Å; V99-V113 HydrophobicContact CG1-CG1 3.54Å; V99-V113 HydrophobicContact CG2-CG1 3.71Å; V99-C114 WeakPolarHBondContact CA-O 3.23Å; V99-R115 HydrophobicContact CG2-CG 4.14Å |
| 100 | R | 88.5 | Confident | 91.1 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -33.6 | 177.9 | -66 | -64.2 | -172.7 | 167.4 | 2.6 | 113 | V60 V147 | V60-R100 WeakPolarHBondContact CG2-O 3.37Å; R100-V147 HydrophobicContact CG-CG1 4.02Å |
| 101 | C | 92.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 146.9 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | V99 C114 I151 | V99-C101 VanDerWaalsContact CG1-O 3.31Å; V99-C101 WeakPolarHBondContact CG1-O 3.43Å; C101-C114 HydrophobicContact CB-CB 4.17Å; C101-C114 WeakPolarHBondContact CB-SG 3.32Å; C101-C114 WeakPolarHBondContact O-CB 3.44Å; C101-C114 PolarHBondContact O-N 3.36Å; C101-C114 PolarHBondContact O-SG 3.2Å; C101-C114 WeakPolarHBondContact SG-CB 3.31Å; C101-C114 CovalentContact SG-SG 2.06Å; C101-C114 PolarHBondContact SG-SG 3.13Å; C101-I151 HydrophobicContact CB-CG2 3.9Å |
| 102 | A | 94.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 141.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V60 A62 I73 A112 V113 | V60-A102 HydrophobicContact CG1-CB 3.79Å; A62-A102 HydrophobicContact CB-CB 4.43Å; I73-A102 HydrophobicContact CD1-CB 3.89Å; A102-A112 CarbonylContact C-O 3.56Å; A102-A112 WeakPolarHBondContact CA-O 3.4Å; A102-V113 HydrophobicContact CB-CG2 4.21Å |
| 103 | K | 94.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 46 Ų | 46 | 35% | 0.352 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 133.7 | 179.7 | -160.2 | 172.5 | -176.2 | 172.5 | 0 | 111.3 | F111 A112 I151 D152 W153 | K103-F111 WeakPolarHBondContact O-CA 3.23Å; K103-A112 PolarHBondContact N-O 2.8Å; K103-A112 PolarHBondContact O-N 3.43Å; K103-I151 HydrophobicContact CB-CG2 4.02Å; K103-D152 IonicContact NZ-OD1 3.09Å; K103-D152 PolarHBondContact NZ-OD1 2.91Å; K103-W153 PolarHBondContact O-NE1 2.82Å |
| 104 | F | 94.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 146 | 170.8 | -73.6 | -97.8 | 0 | 0 | 0 | 110.6 | A62 L63 D64 P65 L71 Y81 Y110 F111 T124 W153 | A62-F104 HydrophobicContact CB-CD2 3.74Å; A62-F104 HydrophobicContact CB-CE2 3.71Å; A62-F104 VanDerWaalsContact O-CE2 3.28Å; A62-F104 WeakPolarHBondContact O-CE2 3.42Å; L63-F104 WeakPolarHBondContact O-CD2 2.93Å; D64-F104 HydrophobicContact CB-CD1 4.38Å; D64-F104 HydrophobicContact CB-CE1 4.29Å; P65-F104 HydrophobicContact CG-CB 4.41Å; L71-F104 HydrophobicContact CB-CE2 3.89Å; L71-F104 HydrophobicContact CB-CZ 4.04Å; Y81-F104 HydrophobicContact CE2-CZ 4.21Å; F104-Y110 WeakPolarHBondContact CA-O 3.2Å; F104-F111 HydrophobicContact CD1-CB 3.75Å; F104-F111 HydrophobicContact CD2-CB 4.39Å; F104-F111 HydrophobicContact CE1-CB 3.92Å; F104-F111 HydrophobicContact CE1-CD1 4.24Å; F104-F111 HydrophobicContact CE1-CG 4.28Å; F104-F111 HydrophobicContact CG-CB 4Å; F104-F111 HydrophobicContact CZ-CB 4.28Å; F104-T124 HydrophobicContact CD1-CG2 3.58Å; F104-T124 HydrophobicContact CE1-CG2 3.59Å; F104-W153 PolarHBondContact O-NE1 2.86Å |
| 105 | S | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -66.1 | 146.4 | 168.9 | 58.2 | 0 | 0 | 0 | 0 | 109.6 | P65 D107 G108 Q109 Y110 | P65-S105 VanDerWaalsContact CG-O 3.27Å; P65-S105 WeakPolarHBondContact CG-O 3.35Å; S105-D107 VanDerWaalsContact CB-OD1 3.28Å; S105-D107 WeakPolarHBondContact CB-OD1 3.47Å; S105-D107 PolarHBondContact O-N 2.74Å; S105-D107 VanDerWaalsContact O-N 3.11Å; S105-D107 PolarHBondContact OG-OD1 3.26Å; S105-G108 WeakPolarHBondContact O-CA 3.48Å; S105-G108 PolarHBondContact O-N 3.29Å; S105-Q109 PolarHBondContact OG-N 3.06Å; S105-Y110 PolarHBondContact N-O 3.28Å; S105-Y110 PolarHBondContact OG-N 3.38Å; S105-Y110 PolarHBondContact OG-O 2.93Å | ||
| 106 | P | 91.7 | Very high | 91.6 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.5 | 179.7 | -31 | 36 | 0 | 0 | 0 | 115.2 | G108 W153 S157 | P106-G108 VanDerWaalsContact C-N 3.33Å; P106-W153 VanDerWaalsContact CD-CB 3.5Å; P106-W153 HydrophobicContact CG-CB 4.05Å; P106-S157 VanDerWaalsContact CD-OG 3.28Å; P106-S157 WeakPolarHBondContact CD-OG 3.47Å |
| 107 | D | 89.5 | Confident | 91.8 | Very high | 75 Ų | 75 | 38 Ų | 38 | 40% | 0.401 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7 | 174.8 | 68.2 | -2 | 0 | 0 | 0 | 114.3 | S105 Q109 S157 | S105-D107 VanDerWaalsContact CB-OD1 3.28Å; S105-D107 WeakPolarHBondContact CB-OD1 3.47Å; S105-D107 PolarHBondContact O-N 2.74Å; S105-D107 VanDerWaalsContact O-N 3.11Å; S105-D107 PolarHBondContact OG-OD1 3.26Å; D107-Q109 HydrophobicContact CB-CG 4.49Å; D107-Q109 PolarHBondContact O-N 3.46Å; D107-Q109 PolarHBondContact OD1-N 3.4Å; D107-S157 VanDerWaalsContact CG-OG 3.3Å; D107-S157 PolarHBondContact N-OG 3.19Å; D107-S157 VanDerWaalsContact N-OG 3.1Å; D107-S157 PolarHBondContact OD1-OG 2.84Å |
| 108 | G | 90.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 68.9 | 11.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S105 P106 T124 | S105-G108 WeakPolarHBondContact O-CA 3.48Å; S105-G108 PolarHBondContact O-N 3.29Å; P106-G108 VanDerWaalsContact C-N 3.33Å; G108-T124 VanDerWaalsContact O-CB 3.32Å; G108-T124 WeakPolarHBondContact O-CB 3.43Å; G108-T124 WeakPolarHBondContact O-CG2 3.49Å; G108-T124 PolarHBondContact O-OG1 3.14Å |
| 109 | Q | 90.3 | Very high | 92.3 | Very high | 112 Ų | 112 | 33.5 Ų | 33.5 | 52% | 0.523 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -83.6 | -27.5 | 179.3 | -67.1 | -168.6 | 2.7 | 0 | 0 | 113.4 | S105 D107 R123 T124 | S105-Q109 PolarHBondContact OG-N 3.06Å; D107-Q109 HydrophobicContact CB-CG 4.49Å; D107-Q109 PolarHBondContact O-N 3.46Å; D107-Q109 PolarHBondContact OD1-N 3.4Å; Q109-R123 WeakPolarHBondContact O-CA 3.34Å; Q109-T124 VanDerWaalsContact C-OG1 3.3Å; Q109-T124 WeakPolarHBondContact CA-OG1 3.21Å; Q109-T124 PolarHBondContact O-N 3.36Å; Q109-T124 PolarHBondContact O-OG1 2.94Å; Q109-T124 VanDerWaalsContact O-OG1 3.09Å |
| 110 | Y | 93.1 | Very high | 92.4 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 18% | 0.184 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.1 | -177.5 | -57 | -86.6 | 0 | 0 | 0 | 111.3 | F104 S105 L121 F122 R123 D138 | F104-Y110 WeakPolarHBondContact CA-O 3.2Å; S105-Y110 PolarHBondContact N-O 3.28Å; S105-Y110 PolarHBondContact OG-N 3.38Å; S105-Y110 PolarHBondContact OG-O 2.93Å; Y110-L121 HydrophobicContact CD1-CD1 4.36Å; Y110-L121 HydrophobicContact CD1-CD2 4.01Å; Y110-L121 HydrophobicContact CD1-CG 4.01Å; Y110-L121 HydrophobicContact CE1-CD2 4.43Å; Y110-L121 HydrophobicContact CG-CD1 4.27Å; Y110-L121 HydrophobicContact CG-CD2 4.43Å; Y110-L121 HydrophobicContact CG-CG 4.4Å; Y110-F122 CarbonylContact C-O 3.54Å; Y110-F122 WeakPolarHBondContact CA-O 3.47Å; Y110-F122 WeakPolarHBondContact CB-O 3.43Å; Y110-R123 HydrophobicContact CD1-CG 3.96Å; Y110-R123 HydrophobicContact CE1-CG 3.7Å; Y110-D138 HydrophobicContact CE1-CB 4.35Å |
| 111 | F | 94.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.7 | 162.3 | 65.6 | -83.5 | 0 | 0 | 0 | 109 | L71 K103 F104 V113 F122 T124 F135 | L71-F111 HydrophobicContact CD2-CD2 3.84Å; L71-F111 HydrophobicContact CD2-CE2 3.88Å; K103-F111 WeakPolarHBondContact O-CA 3.23Å; F104-F111 HydrophobicContact CD1-CB 3.75Å; F104-F111 HydrophobicContact CD2-CB 4.39Å; F104-F111 HydrophobicContact CE1-CB 3.92Å; F104-F111 HydrophobicContact CE1-CD1 4.24Å; F104-F111 HydrophobicContact CE1-CG 4.28Å; F104-F111 HydrophobicContact CG-CB 4Å; F104-F111 HydrophobicContact CZ-CB 4.28Å; F111-V113 HydrophobicContact CD2-CG2 3.63Å; F111-V113 HydrophobicContact CE2-CG2 3.75Å; F111-F122 HydrophobicContact CD1-CB 3.75Å; F111-F122 HydrophobicContact CD2-CB 4.07Å; F111-F122 HydrophobicContact CD2-CD2 4.31Å; F111-F122 HydrophobicContact CE1-CB 3.27Å; F111-F122 HydrophobicContact CE1-CG 4.18Å; F111-F122 HydrophobicContact CE2-CB 3.61Å; F111-F122 AromaticContact CE2-CD2 3.7Å; F111-F122 HydrophobicContact CE2-CD2 3.7Å; F111-F122 AromaticContact CE2-CG 3.78Å; F111-F122 HydrophobicContact CE2-CG 3.78Å; F111-F122 HydrophobicContact CG-CB 4.15Å; F111-F122 HydrophobicContact CZ-CB 3.19Å; F111-F122 HydrophobicContact CZ-CD1 4.25Å; F111-F122 HydrophobicContact CZ-CD2 4.03Å; F111-F122 AromaticContact CZ-CG 3.59Å; F111-F122 HydrophobicContact CZ-CG 3.59Å; F111-F122 PolarHBondContact N-O 3.07Å; F111-F122 PolarHBondContact O-N 3.35Å; F111-T124 HydrophobicContact CD1-CG2 3.87Å; F111-F135 HydrophobicContact CE1-CD1 4.07Å; F111-F135 HydrophobicContact CE1-CE1 4.03Å; F111-F135 AromaticContact CZ-CD1 3.8Å; F111-F135 HydrophobicContact CZ-CD1 3.8Å; F111-F135 HydrophobicContact CZ-CD2 4.5Å; F111-F135 AromaticContact CZ-CE1 3.75Å; F111-F135 HydrophobicContact CZ-CE1 3.75Å; F111-F135 HydrophobicContact CZ-CE2 4.48Å; F111-F135 HydrophobicContact CZ-CG 4.17Å; F111-F135 HydrophobicContact CZ-CZ 4.08Å |
| 112 | A | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 138.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A102 K103 V119 D120 L121 I151 W153 | A102-A112 CarbonylContact C-O 3.56Å; A102-A112 WeakPolarHBondContact CA-O 3.4Å; K103-A112 PolarHBondContact N-O 2.8Å; K103-A112 PolarHBondContact O-N 3.43Å; A112-V119 HydrophobicContact CB-CG1 3.95Å; A112-D120 CarbonylContact C-O 3.57Å; A112-D120 WeakPolarHBondContact CA-O 3.37Å; A112-L121 HydrophobicContact CB-CD1 4.24Å; A112-I151 HydrophobicContact CB-CD1 3.48Å; A112-I151 VanDerWaalsContact CB-CD1 3.48Å; A112-W153 HydrophobicContact CB-CZ2 3.63Å |
| 113 | V | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.1 | -179.3 | -177.5 | 0 | 0 | 0 | 0 | 109 | I73 F95 V99 A102 F111 R115 V119 D120 F122 | I73-V113 HydrophobicContact CD1-CG1 4.36Å; F95-V113 HydrophobicContact CD1-CG1 4.39Å; F95-V113 HydrophobicContact CD2-CG1 4.4Å; F95-V113 HydrophobicContact CE1-CB 4.39Å; F95-V113 HydrophobicContact CE1-CG1 4.04Å; F95-V113 HydrophobicContact CE1-CG2 4.36Å; F95-V113 HydrophobicContact CE2-CG1 3.99Å; F95-V113 HydrophobicContact CZ-CB 4.27Å; F95-V113 HydrophobicContact CZ-CG1 3.84Å; F95-V113 HydrophobicContact CZ-CG2 3.87Å; V99-V113 HydrophobicContact CB-CG1 4.3Å; V99-V113 HydrophobicContact CG1-CG1 3.54Å; V99-V113 HydrophobicContact CG2-CG1 3.71Å; A102-V113 HydrophobicContact CB-CG2 4.21Å; F111-V113 HydrophobicContact CD2-CG2 3.63Å; F111-V113 HydrophobicContact CE2-CG2 3.75Å; V113-R115 HydrophobicContact CG1-CG 4.36Å; V113-V119 WeakPolarHBondContact O-CA 3.38Å; V113-D120 PolarHBondContact N-O 3.46Å; V113-D120 PolarHBondContact O-N 3.34Å; V113-F122 HydrophobicContact CB-CE2 4.48Å; V113-F122 HydrophobicContact CG2-CD2 4.17Å; V113-F122 HydrophobicContact CG2-CE2 4.32Å |
| 114 | C | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109.3 | -179.4 | -40.7 | 0 | 0 | 0 | 0 | 110.2 | V99 C101 I148 | V99-C114 WeakPolarHBondContact CA-O 3.23Å; C101-C114 HydrophobicContact CB-CB 4.17Å; C101-C114 WeakPolarHBondContact CB-SG 3.32Å; C101-C114 WeakPolarHBondContact O-CB 3.44Å; C101-C114 PolarHBondContact O-N 3.36Å; C101-C114 PolarHBondContact O-SG 3.2Å; C101-C114 WeakPolarHBondContact SG-CB 3.31Å; C101-C114 CovalentContact SG-SG 2.06Å; C101-C114 PolarHBondContact SG-SG 3.13Å; C114-I148 HydrophobicContact CB-CB 4.12Å; C114-I148 HydrophobicContact CB-CG2 3.76Å |
| 115 | R | 89.8 | Confident | 91.9 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 100.2 | 176.4 | -67.1 | -170.4 | -59.9 | 118.9 | 10.1 | 110 | F95 K97 V99 V113 T117 D118 D120 | F95-R115 HydrophobicContact CB-CG 4.42Å; F95-R115 HydrophobicContact CD1-CG 4.49Å; K97-R115 HydrophobicContact CB-CB 4.42Å; V99-R115 HydrophobicContact CG2-CG 4.14Å; V113-R115 HydrophobicContact CG1-CG 4.36Å; R115-T117 PolarHBondContact O-N 2.98Å; R115-D118 PolarHBondContact N-O 2.85Å; R115-D118 PolarHBondContact O-N 3.21Å; R115-D120 IonicContact CZ-OD1 3.75Å; R115-D120 IonicContact CZ-OD2 2.86Å; R115-D120 VanDerWaalsContact NE-CG 3.35Å; R115-D120 IonicContact NE-OD1 3.96Å; R115-D120 IonicContact NE-OD2 3.75Å; R115-D120 PolarHBondContact NE-OD2 3.1Å; R115-D120 VanDerWaalsContact NH2-CG 3.3Å; R115-D120 IonicContact NH2-OD1 3.76Å; R115-D120 PolarHBondContact NH2-OD1 2.9Å; R115-D120 IonicContact NH2-OD2 2.77Å; R115-D120 PolarHBondContact NH2-OD2 3.1Å |
| 116 | D | 87.7 | Confident | 91.2 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -96 | -171.9 | -57.9 | -31.6 | 0 | 0 | 0 | 112.2 | K97 V147 I148 | K97-D116 WeakPolarHBondContact CD-OD2 3.35Å; K97-D116 IonicContact NZ-OD2 3.34Å; K97-D116 PolarHBondContact NZ-OD2 3.01Å; D116-V147 CarbonylContact O-C 3.53Å; D116-V147 WeakPolarHBondContact O-CA 3.36Å; D116-I148 WeakPolarHBondContact O-CB 3.33Å; D116-I148 WeakPolarHBondContact O-CG1 3.22Å; D116-I148 PolarHBondContact O-N 3.22Å |
| 117 | T | 91.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -15.4 | -175.9 | 53 | 0 | 0 | 0 | 0 | 114.7 | R115 A144 I148 | R115-T117 PolarHBondContact O-N 2.98Å; T117-A144 PolarHBondContact O-N 3.06Å; T117-I148 WeakPolarHBondContact O-CD1 3.33Å |
| 118 | D | 92.4 | Very high | 89.2 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.6 | -168 | -50.2 | -19.1 | 0 | 0 | 0 | 110.2 | R115 V140 F141 N142 | R115-D118 PolarHBondContact N-O 2.85Å; R115-D118 PolarHBondContact O-N 3.21Å; D118-V140 HydrophobicContact CB-CG1 4.33Å; D118-F141 WeakPolarHBondContact CA-O 3.44Å; D118-N142 VanDerWaalsContact CG-OD1 3.28Å; D118-N142 PolarHBondContact OD1-OD1 3.01Å |
| 119 | V | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | A112 V113 F141 I148 I151 F160 V162 | A112-V119 HydrophobicContact CB-CG1 3.95Å; V113-V119 WeakPolarHBondContact O-CA 3.38Å; V119-F141 HydrophobicContact CB-CB 4.41Å; V119-F141 PolarHBondContact N-O 2.76Å; V119-F141 PolarHBondContact O-N 2.75Å; V119-I148 HydrophobicContact CG2-CD1 3.54Å; V119-I151 HydrophobicContact CG1-CD1 3.87Å; V119-F160 HydrophobicContact CB-CE2 4.21Å; V119-F160 HydrophobicContact CG1-CE2 3.88Å; V119-F160 HydrophobicContact CG1-CZ 4.17Å; V119-F160 HydrophobicContact CG2-CE2 4.29Å; V119-V162 HydrophobicContact CG2-CG1 4.39Å; V119-V162 HydrophobicContact CG2-CG2 3.84Å |
| 120 | D | 93.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.6 | 172.7 | -68.8 | -3.7 | 0 | 0 | 0 | 109.9 | A112 V113 R115 F122 V140 | A112-D120 CarbonylContact C-O 3.57Å; A112-D120 WeakPolarHBondContact CA-O 3.37Å; V113-D120 PolarHBondContact N-O 3.46Å; V113-D120 PolarHBondContact O-N 3.34Å; R115-D120 IonicContact CZ-OD1 3.75Å; R115-D120 IonicContact CZ-OD2 2.86Å; R115-D120 VanDerWaalsContact NE-CG 3.35Å; R115-D120 IonicContact NE-OD1 3.96Å; R115-D120 IonicContact NE-OD2 3.75Å; R115-D120 PolarHBondContact NE-OD2 3.1Å; R115-D120 VanDerWaalsContact NH2-CG 3.3Å; R115-D120 IonicContact NH2-OD1 3.76Å; R115-D120 PolarHBondContact NH2-OD1 2.9Å; R115-D120 IonicContact NH2-OD2 2.77Å; R115-D120 PolarHBondContact NH2-OD2 3.1Å; D120-F122 HydrophobicContact CB-CD2 4.06Å; D120-F122 HydrophobicContact CB-CE2 3.39Å; D120-F122 HydrophobicContact CB-CZ 4.14Å; D120-V140 WeakPolarHBondContact OD1-CG1 3.43Å; D120-V140 WeakPolarHBondContact OD1-CG2 3.41Å |
| 121 | L | 94 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.9 | 174.3 | -173.1 | 71.3 | 0 | 0 | 0 | 110.1 | Y110 A112 D138 R139 F141 W153 L174 | Y110-L121 HydrophobicContact CD1-CD1 4.36Å; Y110-L121 HydrophobicContact CD1-CD2 4.01Å; Y110-L121 HydrophobicContact CD1-CG 4.01Å; Y110-L121 HydrophobicContact CE1-CD2 4.43Å; Y110-L121 HydrophobicContact CG-CD1 4.27Å; Y110-L121 HydrophobicContact CG-CD2 4.43Å; Y110-L121 HydrophobicContact CG-CG 4.4Å; A112-L121 HydrophobicContact CB-CD1 4.24Å; L121-D138 PolarHBondContact O-N 2.92Å; L121-R139 HydrophobicContact CB-CB 4.45Å; L121-R139 PolarHBondContact N-O 3.1Å; L121-R139 PolarHBondContact O-N 3.25Å; L121-F141 HydrophobicContact CB-CE2 4.44Å; L121-W153 HydrophobicContact CD1-CH2 3.45Å; L121-W153 VanDerWaalsContact CD1-CH2 3.45Å; L121-W153 HydrophobicContact CD1-CZ2 3.64Å; L121-L174 HydrophobicContact CD2-CD1 4Å; L121-L174 HydrophobicContact CD2-CD2 3.63Å |
| 122 | F | 93.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 149.9 | 176.9 | -69 | -92 | 0 | 0 | 0 | 111.2 | Y93 F95 Y110 F111 V113 D120 F135 Y136 T137 | Y93-F122 HydrophobicContact CE1-CZ 4.35Å; F95-F122 AromaticContact CE1-CE2 3.6Å; F95-F122 HydrophobicContact CE1-CE2 3.6Å; F95-F122 AromaticContact CE1-CZ 3.67Å; F95-F122 HydrophobicContact CE1-CZ 3.67Å; F95-F122 HydrophobicContact CZ-CE2 4.25Å; Y110-F122 CarbonylContact C-O 3.54Å; Y110-F122 WeakPolarHBondContact CA-O 3.47Å; Y110-F122 WeakPolarHBondContact CB-O 3.43Å; F111-F122 HydrophobicContact CD1-CB 3.75Å; F111-F122 HydrophobicContact CD2-CB 4.07Å; F111-F122 HydrophobicContact CD2-CD2 4.31Å; F111-F122 HydrophobicContact CE1-CB 3.27Å; F111-F122 HydrophobicContact CE1-CG 4.18Å; F111-F122 HydrophobicContact CE2-CB 3.61Å; F111-F122 AromaticContact CE2-CD2 3.7Å; F111-F122 HydrophobicContact CE2-CD2 3.7Å; F111-F122 AromaticContact CE2-CG 3.78Å; F111-F122 HydrophobicContact CE2-CG 3.78Å; F111-F122 HydrophobicContact CG-CB 4.15Å; F111-F122 HydrophobicContact CZ-CB 3.19Å; F111-F122 HydrophobicContact CZ-CD1 4.25Å; F111-F122 HydrophobicContact CZ-CD2 4.03Å; F111-F122 AromaticContact CZ-CG 3.59Å; F111-F122 HydrophobicContact CZ-CG 3.59Å; F111-F122 PolarHBondContact N-O 3.07Å; F111-F122 PolarHBondContact O-N 3.35Å; V113-F122 HydrophobicContact CB-CE2 4.48Å; V113-F122 HydrophobicContact CG2-CD2 4.17Å; V113-F122 HydrophobicContact CG2-CE2 4.32Å; D120-F122 HydrophobicContact CB-CD2 4.06Å; D120-F122 HydrophobicContact CB-CE2 3.39Å; D120-F122 HydrophobicContact CB-CZ 4.14Å; F122-F135 HydrophobicContact CD1-CB 4.01Å; F122-F135 HydrophobicContact CE1-CB 4.3Å; F122-Y136 WeakPolarHBondContact CA-O 3.06Å; F122-T137 HydrophobicContact CE1-CG2 4.44Å; F122-T137 WeakPolarHBondContact CE1-OG1 3.46Å; F122-T137 HydrophobicContact CZ-CG2 4.5Å |
| 123 | R | 91.1 | Very high | 85.1 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.2 | 165.2 | -66.7 | -174.6 | -172.6 | -165.4 | 0.4 | 110 | Q109 Y110 Y136 D138 | Q109-R123 WeakPolarHBondContact O-CA 3.34Å; Y110-R123 HydrophobicContact CD1-CG 3.96Å; Y110-R123 HydrophobicContact CE1-CG 3.7Å; R123-Y136 PolarHBondContact N-O 2.97Å; R123-D138 HydrophobicContact CG-CB 4.36Å; R123-D138 IonicContact CZ-OD1 2.77Å; R123-D138 IonicContact NE-OD1 3.56Å; R123-D138 PolarHBondContact NE-OD1 3.35Å; R123-D138 IonicContact NH2-OD1 2.66Å; R123-D138 PolarHBondContact NH2-OD1 3.2Å |
| 124 | T | 90.6 | Very high | 84.7 | Confident | 34 Ų | 34 | 64 Ų | 64 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 131.5 | 175.7 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | F104 G108 Q109 F111 | F104-T124 HydrophobicContact CD1-CG2 3.58Å; F104-T124 HydrophobicContact CE1-CG2 3.59Å; G108-T124 VanDerWaalsContact O-CB 3.32Å; G108-T124 WeakPolarHBondContact O-CB 3.43Å; G108-T124 WeakPolarHBondContact O-CG2 3.49Å; G108-T124 PolarHBondContact O-OG1 3.14Å; Q109-T124 VanDerWaalsContact C-OG1 3.3Å; Q109-T124 WeakPolarHBondContact CA-OG1 3.21Å; Q109-T124 PolarHBondContact O-N 3.36Å; Q109-T124 PolarHBondContact O-OG1 2.94Å; Q109-T124 VanDerWaalsContact O-OG1 3.09Å; F111-T124 HydrophobicContact CD1-CG2 3.87Å |
| 125 | P | 86.4 | Confident | 84.3 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 143.7 | 178.6 | 33.1 | -35.8 | 0 | 0 | 0 | 111.4 | Y81 P134 F135 | Y81-P125 HydrophobicContact CD1-CG 3.91Å; Y81-P125 HydrophobicContact CE1-CG 3.51Å; P125-P134 HydrophobicContact CB-CB 3.66Å; P125-P134 HydrophobicContact CG-CB 4.41Å; P125-F135 HydrophobicContact CG-CD1 3.96Å; P125-F135 HydrophobicContact CG-CE1 3.74Å |
| 126 | G | 78 | Confident | 84.2 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 139.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H128 T129 | G126-H128 PolarHBondContact O-N 3.47Å; G126-T129 PolarHBondContact O-N 2.65Å; G126-T129 PolarHBondContact O-OG1 3.12Å; G126-T129 VanDerWaalsContact O-OG1 3.13Å |
| 127 | L | 70.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28.3 | -177 | -65.1 | 167.6 | 0 | 0 | 0 | 114.1 | T68 A69 L90 | T68-L127 HydrophobicContact CG2-CD1 4.08Å; T68-L127 WeakPolarHBondContact OG1-CD1 3.48Å; A69-L127 HydrophobicContact CB-CD2 4.07Å; L90-L127 HydrophobicContact CD1-CD2 4.1Å |
| 128 | H | 69 | Low | 84 | Confident | 184 Ų | 184 | 70.1 Ų | 70.1 | 85% | 0.852 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -9.6 | -173.5 | -62.3 | -58.4 | 0 | 0 | 0 | 114 | G126 | G126-H128 PolarHBondContact O-N 3.47Š|
| 129 | T | 64.1 | Low | 83.9 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | trans | -100.9 | 92.7 | -175.8 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | G126 S131 | G126-T129 PolarHBondContact O-N 2.65Å; G126-T129 PolarHBondContact O-OG1 3.12Å; G126-T129 VanDerWaalsContact O-OG1 3.13Å; T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 3.23Å | ||
| 130 | L | 69.9 | Low | 83.8 | Confident | 154 Ų | 154 | 76 Ų | 76 | 81% | 0.806 | 37% | 0.371 | S | S | * | . | trans | -72 | 86.7 | 166.3 | -69 | 171.1 | 0 | 0 | 0 | 109 | ||||
| 131 | S | 79.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 76 Ų | 76 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | trans | -100.2 | 155 | 169.7 | 70.1 | 0 | 0 | 0 | 0 | 110.3 | T129 R133 P134 | T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 3.23Å; S131-R133 VanDerWaalsContact C-N 3.27Å; S131-R133 PolarHBondContact O-N 2.79Å; S131-P134 VanDerWaalsContact OG-CA 3.24Å; S131-P134 WeakPolarHBondContact OG-CA 3.17Å; S131-P134 WeakPolarHBondContact OG-CB 3.49Å | ||
| 132 | Y | 81.4 | Confident | 83.4 | Confident | 202 Ų | 202 | 81.5 Ų | 81.5 | 79% | 0.792 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -63.2 | -34.2 | 179.6 | -178.9 | -109.9 | 0 | 0 | 0 | 112.7 | H91 | H91-Y132 PolarHBondContact NE2-O 2.79Š|
| 133 | R | 83.3 | Confident | 83 | Confident | 201 Ų | 201 | 81.9 Ų | 81.9 | 76% | 0.758 | 40% | 0.403 | S | S | * | . | trans | -132.5 | 80.6 | 177.8 | -71.3 | -178.1 | 178.9 | -175.9 | -1 | 110.3 | S131 | S131-R133 VanDerWaalsContact C-N 3.27Å; S131-R133 PolarHBondContact O-N 2.79Å | ||
| 134 | P | 84.6 | Confident | 82.9 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 14% | 0.143 | 39% | 0.385 | C | S | . | . | trans | -75.9 | -27.5 | -178.3 | 31.4 | -32.2 | 0 | 0 | 0 | 112.2 | H91 P125 S131 Y136 | H91-P134 HydrophobicContact CB-CG 3.8Å; H91-P134 WeakPolarHBondContact CD2-CD 3.47Å; H91-P134 WeakPolarHBondContact CD2-CG 3.41Å; H91-P134 WeakPolarHBondContact NE2-CD 3.45Å; P125-P134 HydrophobicContact CB-CB 3.66Å; P125-P134 HydrophobicContact CG-CB 4.41Å; S131-P134 VanDerWaalsContact OG-CA 3.24Å; S131-P134 WeakPolarHBondContact OG-CA 3.17Å; S131-P134 WeakPolarHBondContact OG-CB 3.49Å; P134-Y136 PolarHBondContact O-N 2.96Å | ||
| 135 | F | 86.8 | Confident | 82.9 | Confident | 16 Ų | 16 | 82.8 Ų | 82.8 | 7% | 0.07 | 41% | 0.411 | C | S | . | . | trans | -78.5 | 103.4 | 174.9 | -66.8 | -19.4 | 0 | 0 | 0 | 111 | L71 Y81 H91 Y93 F111 F122 P125 | L71-F135 HydrophobicContact CD1-CE2 4.4Å; L71-F135 HydrophobicContact CD1-CZ 3.91Å; Y81-F135 HydrophobicContact CD2-CE1 4.4Å; Y81-F135 HydrophobicContact CD2-CZ 4.36Å; Y81-F135 HydrophobicContact CG-CE1 4.18Å; Y81-F135 HydrophobicContact CG-CZ 4.11Å; H91-F135 AromaticContact ND1-CD2 3.88Å; H91-F135 AromaticContact ND1-CE2 3.94Å; Y93-F135 VanDerWaalsContact CB-CD2 3.49Å; Y93-F135 HydrophobicContact CD1-CD2 4.43Å; Y93-F135 HydrophobicContact CD2-CB 4.47Å; Y93-F135 AromaticContact CD2-CD2 3.96Å; Y93-F135 HydrophobicContact CD2-CD2 3.96Å; Y93-F135 AromaticContact CG-CD2 3.71Å; Y93-F135 HydrophobicContact CG-CD2 3.71Å; Y93-F135 HydrophobicContact CG-CE2 4.28Å; F111-F135 HydrophobicContact CE1-CD1 4.07Å; F111-F135 HydrophobicContact CE1-CE1 4.03Å; F111-F135 AromaticContact CZ-CD1 3.8Å; F111-F135 HydrophobicContact CZ-CD1 3.8Å; F111-F135 HydrophobicContact CZ-CD2 4.5Å; F111-F135 AromaticContact CZ-CE1 3.75Å; F111-F135 HydrophobicContact CZ-CE1 3.75Å; F111-F135 HydrophobicContact CZ-CE2 4.48Å; F111-F135 HydrophobicContact CZ-CG 4.17Å; F111-F135 HydrophobicContact CZ-CZ 4.08Å; F122-F135 HydrophobicContact CD1-CB 4.01Å; F122-F135 HydrophobicContact CE1-CB 4.3Å; P125-F135 HydrophobicContact CG-CD1 3.96Å; P125-F135 HydrophobicContact CG-CE1 3.74Å | ||
| 136 | Y | 86 | Confident | 83.1 | Confident | 149 Ų | 149 | 85.3 Ų | 85.3 | 58% | 0.584 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.9 | 172.1 | -175.7 | -92.5 | 0 | 0 | 0 | 109.4 | F122 R123 P134 D138 | F122-Y136 WeakPolarHBondContact CA-O 3.06Å; R123-Y136 PolarHBondContact N-O 2.97Å; P134-Y136 PolarHBondContact O-N 2.96Å; Y136-D138 PolarHBondContact O-N 2.84Å |
| 137 | T | 89.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 84.7 Ų | 84.7 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 115.4 | 171.2 | -46.8 | 0 | 0 | 0 | 0 | 108.5 | F122 V140 | F122-T137 HydrophobicContact CE1-CG2 4.44Å; F122-T137 WeakPolarHBondContact CE1-OG1 3.46Å; F122-T137 HydrophobicContact CZ-CG2 4.5Å; T137-V140 HydrophobicContact CG2-CG2 3.81Å |
| 138 | D | 87.3 | Confident | 84.8 | Confident | 40 Ų | 40 | 82.2 Ų | 82.2 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -48.7 | 175.8 | -163.4 | 70.6 | 0 | 0 | 0 | 110 | Y110 L121 R123 Y136 | Y110-D138 HydrophobicContact CE1-CB 4.35Å; L121-D138 PolarHBondContact O-N 2.92Å; R123-D138 HydrophobicContact CG-CB 4.36Å; R123-D138 IonicContact CZ-OD1 2.77Å; R123-D138 IonicContact NE-OD1 3.56Å; R123-D138 PolarHBondContact NE-OD1 3.35Å; R123-D138 IonicContact NH2-OD1 2.66Å; R123-D138 PolarHBondContact NH2-OD1 3.2Å; Y136-D138 PolarHBondContact O-N 2.84Å |
| 139 | R | 89.2 | Confident | 85.9 | Confident | 78 Ų | 78 | 75.5 Ų | 75.5 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 155.7 | -176.3 | -57.7 | -175.4 | -167.9 | -155.8 | 0.5 | 111.5 | L121 F141 E178 | L121-R139 HydrophobicContact CB-CB 4.45Å; L121-R139 PolarHBondContact N-O 3.1Å; L121-R139 PolarHBondContact O-N 3.25Å; R139-F141 HydrophobicContact CB-CD2 4.38Å; R139-F141 HydrophobicContact CB-CE2 3.78Å; R139-F141 HydrophobicContact CB-CZ 4.18Å; R139-E178 WeakPolarHBondContact CD-OE1 3.35Å; R139-E178 IonicContact CZ-OE1 3.42Å; R139-E178 IonicContact NE-OE1 3.62Å; R139-E178 IonicContact NH1-OE1 3.6Å; R139-E178 PolarHBondContact NH1-OE1 3.02Å |
| 140 | V | 90.6 | Very high | 87.3 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.8 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | D118 D120 T137 | D118-V140 HydrophobicContact CB-CG1 4.33Å; D120-V140 WeakPolarHBondContact OD1-CG1 3.43Å; D120-V140 WeakPolarHBondContact OD1-CG2 3.41Å; T137-V140 HydrophobicContact CG2-CG2 3.81Å |
| 141 | F | 89.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.8 | 179.1 | -63.2 | -91 | 0 | 0 | 0 | 109.9 | D118 V119 L121 R139 V143 F160 L174 E178 | D118-F141 WeakPolarHBondContact CA-O 3.44Å; V119-F141 HydrophobicContact CB-CB 4.41Å; V119-F141 PolarHBondContact N-O 2.76Å; V119-F141 PolarHBondContact O-N 2.75Å; L121-F141 HydrophobicContact CB-CE2 4.44Å; R139-F141 HydrophobicContact CB-CD2 4.38Å; R139-F141 HydrophobicContact CB-CE2 3.78Å; R139-F141 HydrophobicContact CB-CZ 4.18Å; F141-V143 HydrophobicContact CB-CG2 3.41Å; F141-V143 VanDerWaalsContact CB-CG2 3.41Å; F141-V143 HydrophobicContact CG-CG2 4.49Å; F141-V143 PolarHBondContact O-N 3.13Å; F141-F160 HydrophobicContact CB-CZ 4.41Å; F141-F160 HydrophobicContact CD1-CZ 4.47Å; F141-F160 HydrophobicContact CD2-CE1 4.03Å; F141-F160 AromaticContact CD2-CZ 3.59Å; F141-F160 HydrophobicContact CD2-CZ 3.59Å; F141-F160 AromaticContact CE2-CE1 3.8Å; F141-F160 HydrophobicContact CE2-CE1 3.8Å; F141-F160 AromaticContact CE2-CZ 3.86Å; F141-F160 HydrophobicContact CE2-CZ 3.86Å; F141-F160 AromaticContact CG-CZ 3.92Å; F141-F160 HydrophobicContact CG-CZ 3.92Å; F141-F160 HydrophobicContact CZ-CE1 4.23Å; F141-F160 HydrophobicContact CZ-CZ 4.42Å; F141-L174 HydrophobicContact CE2-CD2 3.88Å; F141-L174 HydrophobicContact CZ-CD2 3.69Å; F141-E178 HydrophobicContact CE1-CG 4.31Å |
| 142 | N | 89.4 | Confident | 89.2 | Confident | 117 Ų | 117 | 63.4 Ų | 63.4 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 88.1 | 172.4 | -62.8 | -9.8 | 0 | 0 | 0 | 108.1 | D118 | D118-N142 VanDerWaalsContact CG-OD1 3.28Å; D118-N142 PolarHBondContact OD1-OD1 3.01Å |
| 143 | V | 86.5 | Confident | 89.8 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -100.5 | -42.4 | -165.6 | -178.8 | 0 | 0 | 0 | 0 | 111 | F141 V162 R170 I180 | F141-V143 HydrophobicContact CB-CG2 3.41Å; F141-V143 VanDerWaalsContact CB-CG2 3.41Å; F141-V143 HydrophobicContact CG-CG2 4.49Å; F141-V143 PolarHBondContact O-N 3.13Å; V143-V162 HydrophobicContact CG1-CB 4.49Å; V143-R170 HydrophobicContact CG1-CB 3.35Å; V143-R170 HydrophobicContact CG1-CG 3.97Å; V143-R170 WeakPolarHBondContact O-CD 3.48Å; V143-R170 PolarHBondContact O-NE 2.87Å; V143-R170 PolarHBondContact O-NH1 2.98Å; V143-I180 HydrophobicContact CG1-CG2 4.46Å | ||
| 144 | A | 88.7 | Confident | 90.3 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | trans | -106.7 | 161.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T117 D146 I148 | T117-A144 PolarHBondContact O-N 3.06Å; A144-D146 VanDerWaalsContact CB-O 3.3Å; A144-D146 WeakPolarHBondContact CB-O 3.36Å; A144-I148 HydrophobicContact CB-CD1 4.29Å; A144-I148 HydrophobicContact CB-CG1 3.78Å | ||
| 145 | H | 89.8 | Confident | 90.5 | Very high | 162 Ų | 162 | 47.4 Ų | 47.4 | 75% | 0.75 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -99 | -14.3 | 173.2 | -63.2 | -52.8 | 0 | 0 | 0 | 113.1 | D166 R170 | H145-D166 HydrophobicContact CB-CB 4.41Å; H145-D166 PolarHBondContact N-OD2 3.05Å; H145-R170 PolarHBondContact CD2-NH2 3.03Å |
| 146 | D | 90.8 | Very high | 90.6 | Very high | 70 Ų | 70 | 48.4 Ų | 48.4 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -138.7 | 175.3 | 176.2 | -162 | -2.4 | 0 | 0 | 0 | 109.2 | A144 I148 S164 K165 D166 | A144-D146 VanDerWaalsContact CB-O 3.3Å; A144-D146 WeakPolarHBondContact CB-O 3.36Å; D146-I148 PolarHBondContact O-N 2.99Å; D146-S164 VanDerWaalsContact C-OG 3.31Å; D146-S164 PolarHBondContact O-OG 3.4Å; D146-K165 HydrophobicContact CB-CB 4.2Å; D146-K165 VanDerWaalsContact OD2-CB 3.3Å; D146-K165 WeakPolarHBondContact OD2-CB 3.18Å; D146-D166 HydrophobicContact CB-CB 3.8Å |
| 147 | V | 91.7 | Very high | 90.8 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | trans | -53 | 126.6 | -174 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | R100 D116 S164 K165 | R100-V147 HydrophobicContact CG-CG1 4.02Å; D116-V147 CarbonylContact O-C 3.53Å; D116-V147 WeakPolarHBondContact O-CA 3.36Å; V147-S164 WeakPolarHBondContact O-CA 3.39Å; V147-S164 PolarHBondContact O-OG 3.48Å; V147-K165 HydrophobicContact CB-CD 4.28Å; V147-K165 HydrophobicContact CB-CG 4.43Å; V147-K165 PolarHBondContact O-N 3.42Å | ||
| 148 | I | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126 | 171.8 | -65.2 | 170 | 0 | 0 | 0 | 108.7 | C114 D116 T117 V119 A144 D146 V162 G163 | C114-I148 HydrophobicContact CB-CB 4.12Å; C114-I148 HydrophobicContact CB-CG2 3.76Å; D116-I148 WeakPolarHBondContact O-CB 3.33Å; D116-I148 WeakPolarHBondContact O-CG1 3.22Å; D116-I148 PolarHBondContact O-N 3.22Å; T117-I148 WeakPolarHBondContact O-CD1 3.33Å; V119-I148 HydrophobicContact CG2-CD1 3.54Å; A144-I148 HydrophobicContact CB-CD1 4.29Å; A144-I148 HydrophobicContact CB-CG1 3.78Å; D146-I148 PolarHBondContact O-N 2.99Å; I148-V162 HydrophobicContact CB-CG1 4.09Å; I148-V162 HydrophobicContact CD1-CG1 3.69Å; I148-V162 HydrophobicContact CG1-CG1 3.62Å; I148-V162 HydrophobicContact CG2-CG1 3.37Å; I148-G163 WeakPolarHBondContact CA-O 3.4Å |
| 149 | T | 91.9 | Very high | 91 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -37.3 | -176.8 | 52 | 0 | 0 | 0 | 0 | 112.3 | G163 K165 I190 | T149-G163 PolarHBondContact N-O 3.46Å; T149-G163 PolarHBondContact OG1-O 3.13Å; T149-K165 HydrophobicContact CG2-CG 3.66Å; T149-I190 VanDerWaalsContact CB-O 3.31Å; T149-I190 WeakPolarHBondContact CB-O 3.48Å; T149-I190 PolarHBondContact OG1-O 2.85Å |
| 150 | C | 93.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 10% | 0.101 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 155.4 | -176.8 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | G163 V191 | C150-G163 PolarHBondContact N-O 3.22Å; C150-G163 PolarHBondContact O-N 3.2Å; C150-V191 WeakPolarHBondContact CB-O 3.44Å; C150-V191 PolarHBondContact SG-O 3.25Å; C150-V191 VanDerWaalsContact SG-O 3.39Å |
| 151 | I | 94.8 | Very high | 91.4 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.9 | 178.4 | -170.2 | 168.9 | 0 | 0 | 0 | 110 | C101 K103 A112 V119 F160 I161 | C101-I151 HydrophobicContact CB-CG2 3.9Å; K103-I151 HydrophobicContact CB-CG2 4.02Å; A112-I151 HydrophobicContact CB-CD1 3.48Å; A112-I151 VanDerWaalsContact CB-CD1 3.48Å; V119-I151 HydrophobicContact CG1-CD1 3.87Å; I151-F160 HydrophobicContact CD1-CD2 4.1Å; I151-F160 HydrophobicContact CG1-CD2 4.41Å; I151-I161 WeakPolarHBondContact CA-O 3.49Å |
| 152 | D | 94.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154.5 | 173.2 | -169 | 29.7 | 0 | 0 | 0 | 111.7 | K103 F160 I161 C193 G194 F195 | K103-D152 IonicContact NZ-OD1 3.09Å; K103-D152 PolarHBondContact NZ-OD1 2.91Å; D152-F160 CarbonylContact O-C 3.59Å; D152-F160 WeakPolarHBondContact O-CA 3.48Å; D152-F160 WeakPolarHBondContact O-CB 3.32Å; D152-I161 HydrophobicContact CB-CG2 3.88Å; D152-I161 PolarHBondContact N-O 3.12Å; D152-I161 PolarHBondContact O-N 2.97Å; D152-C193 WeakPolarHBondContact CB-O 3.3Å; D152-G194 WeakPolarHBondContact OD2-CA 3.19Å; D152-F195 PolarHBondContact OD2-N 3.1Å |
| 153 | W | 94.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 146.1 | -175.9 | -78.4 | 101.8 | 0 | 0 | 0 | 111.1 | K103 F104 P106 A112 L121 F160 L174 | K103-W153 PolarHBondContact O-NE1 2.82Å; F104-W153 PolarHBondContact O-NE1 2.86Å; P106-W153 VanDerWaalsContact CD-CB 3.5Å; P106-W153 HydrophobicContact CG-CB 4.05Å; A112-W153 HydrophobicContact CB-CZ2 3.63Å; L121-W153 HydrophobicContact CD1-CH2 3.45Å; L121-W153 VanDerWaalsContact CD1-CH2 3.45Å; L121-W153 HydrophobicContact CD1-CZ2 3.64Å; W153-F160 HydrophobicContact CD2-CB 4.02Å; W153-F160 HydrophobicContact CE3-CB 3.88Å; W153-F160 HydrophobicContact CH2-CD1 4.21Å; W153-F160 HydrophobicContact CZ3-CB 4.18Å; W153-F160 HydrophobicContact CZ3-CD1 4.14Å; W153-L174 HydrophobicContact CH2-CD1 3.68Å; W153-L174 HydrophobicContact CZ3-CD1 3.47Å; W153-L174 VanDerWaalsContact CZ3-CD1 3.47Å; W153-L174 HydrophobicContact CZ3-CG 4.45Å |
| 154 | S | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -70.3 | 150.9 | 167.3 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | D156 S157 K158 S159 | S154-D156 WeakPolarHBondContact CB-OD1 3.39Å; S154-D156 PolarHBondContact O-N 2.96Å; S154-D156 PolarHBondContact OG-OD1 2.84Å; S154-S157 PolarHBondContact O-N 2.91Å; S154-K158 PolarHBondContact OG-N 2.52Å; S154-S159 WeakPolarHBondContact CB-O 3.49Å; S154-S159 WeakPolarHBondContact CB-OG 3.37Å; S154-S159 PolarHBondContact N-O 3.14Å; S154-S159 PolarHBondContact OG-N 2.89Å; S154-S159 PolarHBondContact OG-O 2.9Å; S154-S159 PolarHBondContact OG-OG 3.09Å | ||
| 155 | H | 89 | Confident | 92.4 | Very high | 81 Ų | 81 | 32.9 Ų | 32.9 | 38% | 0.375 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.9 | -179.3 | 66.7 | -85.7 | 0 | 0 | 0 | 114.2 | P198 | H155-P198 PolarHBondContact CE1-O 2.95Å; H155-P198 PolarHBondContact ND1-O 2.87Å |
| 156 | D | 88.9 | Confident | 92.6 | Very high | 38 Ų | 38 | 26.7 Ų | 26.7 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.2 | 179.7 | 72.9 | -24.3 | 0 | 0 | 0 | 114.1 | S154 K158 Y200 | S154-D156 WeakPolarHBondContact CB-OD1 3.39Å; S154-D156 PolarHBondContact O-N 2.96Å; S154-D156 PolarHBondContact OG-OD1 2.84Å; D156-K158 PolarHBondContact O-N 3.39Å; D156-K158 PolarHBondContact OD1-N 3.47Å; D156-K158 WeakPolarHBondContact OD2-CB 3.48Å; D156-K158 WeakPolarHBondContact OD2-CD 3.21Å; D156-K158 WeakPolarHBondContact OD2-CG 3.43Å; D156-K158 IonicContact OD2-NZ 3.32Å; D156-K158 PolarHBondContact OD2-NZ 2.87Å; D156-Y200 PolarHBondContact OD2-OH 3.19Å |
| 157 | S | 90.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 58.7 | 13.8 | -178.6 | -51.5 | 0 | 0 | 0 | 0 | 115.1 | P106 D107 S154 | P106-S157 VanDerWaalsContact CD-OG 3.28Å; P106-S157 WeakPolarHBondContact CD-OG 3.47Å; D107-S157 VanDerWaalsContact CG-OG 3.3Å; D107-S157 PolarHBondContact N-OG 3.19Å; D107-S157 VanDerWaalsContact N-OG 3.1Å; D107-S157 PolarHBondContact OD1-OG 2.84Å; S154-S157 PolarHBondContact O-N 2.91Å |
| 158 | K | 89.6 | Confident | 92.7 | Very high | 109 Ų | 109 | 28 Ų | 28 | 47% | 0.474 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -94.1 | -9.7 | 180 | -63.1 | -174.5 | -161.5 | 140.2 | 0 | 113.9 | S154 D156 R173 L174 | S154-K158 PolarHBondContact OG-N 2.52Å; D156-K158 PolarHBondContact O-N 3.39Å; D156-K158 PolarHBondContact OD1-N 3.47Å; D156-K158 WeakPolarHBondContact OD2-CB 3.48Å; D156-K158 WeakPolarHBondContact OD2-CD 3.21Å; D156-K158 WeakPolarHBondContact OD2-CG 3.43Å; D156-K158 IonicContact OD2-NZ 3.32Å; D156-K158 PolarHBondContact OD2-NZ 2.87Å; K158-R173 CarbonylContact O-C 3.57Å; K158-L174 WeakPolarHBondContact O-CA 3.34Å; K158-L174 WeakPolarHBondContact O-CB 3.12Å; K158-L174 PolarHBondContact O-N 3.15Å |
| 159 | S | 90.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.3 | 176.8 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | S154 C172 | S154-S159 WeakPolarHBondContact CB-O 3.49Å; S154-S159 WeakPolarHBondContact CB-OG 3.37Å; S154-S159 PolarHBondContact N-O 3.14Å; S154-S159 PolarHBondContact OG-N 2.89Å; S154-S159 PolarHBondContact OG-O 2.9Å; S154-S159 PolarHBondContact OG-OG 3.09Å; S159-C172 CarbonylContact C-O 3.57Å; S159-C172 WeakPolarHBondContact CA-O 3.46Å; S159-C172 VanDerWaalsContact CB-O 3.32Å; S159-C172 WeakPolarHBondContact CB-O 3.44Å |
| 160 | F | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154 | 172 | 62.9 | -90.4 | 0 | 0 | 0 | 109.2 | V119 F141 I151 D152 W153 V162 I171 C172 L174 | V119-F160 HydrophobicContact CB-CE2 4.21Å; V119-F160 HydrophobicContact CG1-CE2 3.88Å; V119-F160 HydrophobicContact CG1-CZ 4.17Å; V119-F160 HydrophobicContact CG2-CE2 4.29Å; F141-F160 HydrophobicContact CB-CZ 4.41Å; F141-F160 HydrophobicContact CD1-CZ 4.47Å; F141-F160 HydrophobicContact CD2-CE1 4.03Å; F141-F160 AromaticContact CD2-CZ 3.59Å; F141-F160 HydrophobicContact CD2-CZ 3.59Å; F141-F160 AromaticContact CE2-CE1 3.8Å; F141-F160 HydrophobicContact CE2-CE1 3.8Å; F141-F160 AromaticContact CE2-CZ 3.86Å; F141-F160 HydrophobicContact CE2-CZ 3.86Å; F141-F160 AromaticContact CG-CZ 3.92Å; F141-F160 HydrophobicContact CG-CZ 3.92Å; F141-F160 HydrophobicContact CZ-CE1 4.23Å; F141-F160 HydrophobicContact CZ-CZ 4.42Å; I151-F160 HydrophobicContact CD1-CD2 4.1Å; I151-F160 HydrophobicContact CG1-CD2 4.41Å; D152-F160 CarbonylContact O-C 3.59Å; D152-F160 WeakPolarHBondContact O-CA 3.48Å; D152-F160 WeakPolarHBondContact O-CB 3.32Å; W153-F160 HydrophobicContact CD2-CB 4.02Å; W153-F160 HydrophobicContact CE3-CB 3.88Å; W153-F160 HydrophobicContact CH2-CD1 4.21Å; W153-F160 HydrophobicContact CZ3-CB 4.18Å; W153-F160 HydrophobicContact CZ3-CD1 4.14Å; F160-V162 HydrophobicContact CD2-CG2 3.69Å; F160-V162 HydrophobicContact CE2-CG2 3.69Å; F160-I171 WeakPolarHBondContact O-CA 3.37Å; F160-C172 HydrophobicContact CD1-CB 4.12Å; F160-C172 HydrophobicContact CD2-CB 4.09Å; F160-C172 HydrophobicContact CE1-CB 3.58Å; F160-C172 HydrophobicContact CE2-CB 3.57Å; F160-C172 HydrophobicContact CG-CB 4.35Å; F160-C172 HydrophobicContact CZ-CB 3.29Å; F160-C172 PolarHBondContact N-O 2.86Å; F160-C172 PolarHBondContact O-N 2.86Å; F160-L174 HydrophobicContact CD1-CD2 4.29Å; F160-L174 HydrophobicContact CD1-CG 4.33Å; F160-L174 HydrophobicContact CE1-CD2 3.87Å; F160-L174 HydrophobicContact CE1-CG 4.38Å |
| 161 | I | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.8 | 176.7 | -171.6 | 172 | 0 | 0 | 0 | 109.7 | I151 D152 R170 I171 C193 F195 V202 | I151-I161 WeakPolarHBondContact CA-O 3.49Å; D152-I161 HydrophobicContact CB-CG2 3.88Å; D152-I161 PolarHBondContact N-O 3.12Å; D152-I161 PolarHBondContact O-N 2.97Å; I161-R170 WeakPolarHBondContact CA-O 3.49Å; I161-I171 HydrophobicContact CB-CG1 4.15Å; I161-I171 HydrophobicContact CD1-CD1 4.23Å; I161-I171 HydrophobicContact CD1-CG1 3.68Å; I161-I171 HydrophobicContact CG1-CG1 3.72Å; I161-C193 HydrophobicContact CD1-CB 4.16Å; I161-C193 HydrophobicContact CG1-CB 4.34Å; I161-C193 HydrophobicContact CG2-CB 4.48Å; I161-F195 HydrophobicContact CB-CE2 3.9Å; I161-F195 HydrophobicContact CB-CZ 4.02Å; I161-F195 HydrophobicContact CG2-CD2 4.07Å; I161-F195 HydrophobicContact CG2-CE2 3.72Å; I161-F195 HydrophobicContact CG2-CZ 4.29Å; I161-V202 HydrophobicContact CD1-CB 4.29Å; I161-V202 HydrophobicContact CD1-CG1 3.22Å; I161-V202 HydrophobicContact CD1-CG2 4.05Å |
| 162 | V | 95.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.5 | -175.5 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | V119 V143 I148 F160 T169 R170 | V119-V162 HydrophobicContact CG2-CG1 4.39Å; V119-V162 HydrophobicContact CG2-CG2 3.84Å; V143-V162 HydrophobicContact CG1-CB 4.49Å; I148-V162 HydrophobicContact CB-CG1 4.09Å; I148-V162 HydrophobicContact CD1-CG1 3.69Å; I148-V162 HydrophobicContact CG1-CG1 3.62Å; I148-V162 HydrophobicContact CG2-CG1 3.37Å; F160-V162 HydrophobicContact CD2-CG2 3.69Å; F160-V162 HydrophobicContact CE2-CG2 3.69Å; V162-T169 CarbonylContact O-C 3.55Å; V162-T169 WeakPolarHBondContact O-CA 3.43Å; V162-T169 WeakPolarHBondContact O-CB 3.18Å; V162-R170 PolarHBondContact N-O 3.14Å; V162-R170 PolarHBondContact O-N 2.81Å |
| 163 | G | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I148 T149 C150 C193 | I148-G163 WeakPolarHBondContact CA-O 3.4Å; T149-G163 PolarHBondContact N-O 3.46Å; T149-G163 PolarHBondContact OG1-O 3.13Å; C150-G163 PolarHBondContact N-O 3.22Å; C150-G163 PolarHBondContact O-N 3.2Å; G163-C193 PolarHBondContact N-SG 3.46Å; G163-C193 VanDerWaalsContact N-SG 3.4Å |
| 164 | S | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 161 | -177.9 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | D146 V147 D166 L167 Q168 I190 | D146-S164 VanDerWaalsContact C-OG 3.31Å; D146-S164 PolarHBondContact O-OG 3.4Å; V147-S164 WeakPolarHBondContact O-CA 3.39Å; V147-S164 PolarHBondContact O-OG 3.48Å; S164-D166 VanDerWaalsContact CB-OD1 3.24Å; S164-D166 WeakPolarHBondContact CB-OD1 3.3Å; S164-D166 PolarHBondContact O-N 2.75Å; S164-D166 VanDerWaalsContact OG-CG 3.26Å; S164-D166 PolarHBondContact OG-N 3.15Å; S164-D166 VanDerWaalsContact OG-N 3.15Å; S164-D166 PolarHBondContact OG-OD1 3.24Å; S164-L167 PolarHBondContact O-N 3.23Å; S164-Q168 PolarHBondContact N-O 2.81Å; S164-I190 PolarHBondContact O-N 3.05Å |
| 165 | K | 92.3 | Very high | 90.9 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 35% | 0.348 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.2 | 168.1 | -69.3 | -165.1 | 176.9 | -171.8 | 0 | 113 | D146 V147 T149 L167 P189 | D146-K165 HydrophobicContact CB-CB 4.2Å; D146-K165 VanDerWaalsContact OD2-CB 3.3Å; D146-K165 WeakPolarHBondContact OD2-CB 3.18Å; V147-K165 HydrophobicContact CB-CD 4.28Å; V147-K165 HydrophobicContact CB-CG 4.43Å; V147-K165 PolarHBondContact O-N 3.42Å; T149-K165 HydrophobicContact CG2-CG 3.66Å; K165-L167 PolarHBondContact O-N 3.27Å; K165-P189 HydrophobicContact CB-CB 4.5Å; K165-P189 HydrophobicContact CG-CB 4.3Å |
| 166 | D | 92.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 11 | 175 | 73 | 7.6 | 0 | 0 | 0 | 114.9 | H145 D146 S164 Q168 R170 | H145-D166 HydrophobicContact CB-CB 4.41Å; H145-D166 PolarHBondContact N-OD2 3.05Å; D146-D166 HydrophobicContact CB-CB 3.8Å; S164-D166 VanDerWaalsContact CB-OD1 3.24Å; S164-D166 WeakPolarHBondContact CB-OD1 3.3Å; S164-D166 PolarHBondContact O-N 2.75Å; S164-D166 VanDerWaalsContact OG-CG 3.26Å; S164-D166 PolarHBondContact OG-N 3.15Å; S164-D166 VanDerWaalsContact OG-N 3.15Å; S164-D166 PolarHBondContact OG-OD1 3.24Å; D166-Q168 PolarHBondContact O-N 2.71Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.24Å; D166-Q168 PolarHBondContact OD1-N 3.45Å; D166-R170 IonicContact OD1-NH1 2.96Å; D166-R170 PolarHBondContact OD1-NH1 3.31Å; D166-R170 IonicContact OD2-CZ 3.8Å; D166-R170 VanDerWaalsContact OD2-CZ 3.25Å; D166-R170 IonicContact OD2-NH1 2.64Å; D166-R170 PolarHBondContact OD2-NH1 3.47Å; D166-R170 IonicContact OD2-NH2 3.39Å; D166-R170 PolarHBondContact OD2-NH2 3.11Å |
| 167 | L | 93.2 | Very high | 88.8 | Confident | 61 Ų | 61 | 40.4 Ų | 40.4 | 32% | 0.319 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 69.5 | 5.1 | 178.3 | -41.1 | 177.9 | 0 | 0 | 0 | 114.9 | S164 K165 Y188 | S164-L167 PolarHBondContact O-N 3.23Å; K165-L167 PolarHBondContact O-N 3.27Å; L167-Y188 WeakPolarHBondContact CD2-O 3.41Å |
| 168 | Q | 92.7 | Very high | 87.9 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.6 | -179.3 | -59.1 | -173.8 | -1.3 | 0 | 0 | 112.3 | S164 D166 I190 | S164-Q168 PolarHBondContact N-O 2.81Å; D166-Q168 PolarHBondContact O-N 2.71Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.24Å; D166-Q168 PolarHBondContact OD1-N 3.45Å; Q168-I190 WeakPolarHBondContact O-CD1 3.38Å |
| 169 | T | 93.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.6 | 164 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | V162 L183 I190 C193 T204 | V162-T169 CarbonylContact O-C 3.55Å; V162-T169 WeakPolarHBondContact O-CA 3.43Å; V162-T169 WeakPolarHBondContact O-CB 3.18Å; T169-L183 PolarHBondContact N-O 3.07Å; T169-L183 PolarHBondContact O-N 3.48Å; T169-L183 WeakPolarHBondContact OG1-CB 3.49Å; T169-I190 HydrophobicContact CG2-CD1 3.41Å; T169-I190 VanDerWaalsContact CG2-CD1 3.41Å; T169-I190 HydrophobicContact CG2-CG1 4.03Å; T169-I190 HydrophobicContact CG2-CG2 3.94Å; T169-C193 HydrophobicContact CG2-CB 3.89Å; T169-T204 HydrophobicContact CG2-CG2 3.56Å |
| 170 | R | 93.6 | Very high | 87.2 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 6% | 0.06 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.1 | -177.8 | -66.2 | 179.3 | -172.1 | 93.8 | -19.9 | 110.5 | V143 H145 I161 V162 D166 I180 Y181 | V143-R170 HydrophobicContact CG1-CB 3.35Å; V143-R170 HydrophobicContact CG1-CG 3.97Å; V143-R170 WeakPolarHBondContact O-CD 3.48Å; V143-R170 PolarHBondContact O-NE 2.87Å; V143-R170 PolarHBondContact O-NH1 2.98Å; H145-R170 PolarHBondContact CD2-NH2 3.03Å; I161-R170 WeakPolarHBondContact CA-O 3.49Å; V162-R170 PolarHBondContact N-O 3.14Å; V162-R170 PolarHBondContact O-N 2.81Å; D166-R170 IonicContact OD1-NH1 2.96Å; D166-R170 PolarHBondContact OD1-NH1 3.31Å; D166-R170 IonicContact OD2-CZ 3.8Å; D166-R170 VanDerWaalsContact OD2-CZ 3.25Å; D166-R170 IonicContact OD2-NH1 2.64Å; D166-R170 PolarHBondContact OD2-NH1 3.47Å; D166-R170 IonicContact OD2-NH2 3.39Å; D166-R170 PolarHBondContact OD2-NH2 3.11Å; R170-I180 HydrophobicContact CB-CG2 4.1Å; R170-Y181 CarbonylContact C-O 3.59Å; R170-Y181 VanDerWaalsContact CA-O 3.27Å; R170-Y181 WeakPolarHBondContact CA-O 3.25Å |
| 171 | I | 93.1 | Very high | 86.9 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.9 | -179 | -58.7 | 165.8 | 0 | 0 | 0 | 108.5 | F160 I161 I180 Y181 L183 F195 V202 Y258 | F160-I171 WeakPolarHBondContact O-CA 3.37Å; I161-I171 HydrophobicContact CB-CG1 4.15Å; I161-I171 HydrophobicContact CD1-CD1 4.23Å; I161-I171 HydrophobicContact CD1-CG1 3.68Å; I161-I171 HydrophobicContact CG1-CG1 3.72Å; I171-I180 CarbonylContact O-C 3.54Å; I171-I180 VanDerWaalsContact O-CA 3.31Å; I171-I180 WeakPolarHBondContact O-CA 3.49Å; I171-Y181 HydrophobicContact CB-CD2 4.45Å; I171-Y181 HydrophobicContact CG2-CD2 4.5Å; I171-Y181 PolarHBondContact N-O 2.76Å; I171-Y181 PolarHBondContact O-N 3.27Å; I171-L183 HydrophobicContact CD1-CD1 3.96Å; I171-L183 HydrophobicContact CD1-CG 4.42Å; I171-F195 HydrophobicContact CG2-CE1 4.24Å; I171-F195 HydrophobicContact CG2-CZ 3.97Å; I171-V202 HydrophobicContact CD1-CG2 3.78Å; I171-Y258 HydrophobicContact CD1-CD1 4.04Å; I171-Y258 HydrophobicContact CD1-CD2 3.93Å; I171-Y258 HydrophobicContact CD1-CE1 3.57Å; I171-Y258 HydrophobicContact CD1-CE2 3.47Å; I171-Y258 VanDerWaalsContact CD1-CE2 3.47Å; I171-Y258 HydrophobicContact CD1-CG 4.2Å |
| 172 | C | 91.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.6 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | S159 F160 | S159-C172 CarbonylContact C-O 3.57Å; S159-C172 WeakPolarHBondContact CA-O 3.46Å; S159-C172 VanDerWaalsContact CB-O 3.32Å; S159-C172 WeakPolarHBondContact CB-O 3.44Å; F160-C172 HydrophobicContact CD1-CB 4.12Å; F160-C172 HydrophobicContact CD2-CB 4.09Å; F160-C172 HydrophobicContact CE1-CB 3.58Å; F160-C172 HydrophobicContact CE2-CB 3.57Å; F160-C172 HydrophobicContact CG-CB 4.35Å; F160-C172 HydrophobicContact CZ-CB 3.29Å; F160-C172 PolarHBondContact N-O 2.86Å; F160-C172 PolarHBondContact O-N 2.86Å |
| 173 | R | 88.2 | Confident | 86.5 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.3 | 175.8 | -169.7 | 172.2 | -178.7 | 160 | -0.3 | 111 | K158 G175 R179 | K158-R173 CarbonylContact O-C 3.57Å; R173-G175 PolarHBondContact O-N 2.61Å; R173-G175 VanDerWaalsContact O-N 3.14Å; R173-R179 PolarHBondContact N-O 2.99Å; R173-R179 VanDerWaalsContact N-O 3.11Å |
| 174 | L | 81.7 | Confident | 86.2 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | trans | -74.9 | 93.4 | 169.8 | -59.5 | -178.1 | 0 | 0 | 0 | 109.4 | L121 F141 W153 K158 F160 | L121-L174 HydrophobicContact CD2-CD1 4Å; L121-L174 HydrophobicContact CD2-CD2 3.63Å; F141-L174 HydrophobicContact CE2-CD2 3.88Å; F141-L174 HydrophobicContact CZ-CD2 3.69Å; W153-L174 HydrophobicContact CH2-CD1 3.68Å; W153-L174 HydrophobicContact CZ3-CD1 3.47Å; W153-L174 VanDerWaalsContact CZ3-CD1 3.47Å; W153-L174 HydrophobicContact CZ3-CG 4.45Å; K158-L174 WeakPolarHBondContact O-CA 3.34Å; K158-L174 WeakPolarHBondContact O-CB 3.12Å; K158-L174 PolarHBondContact O-N 3.15Å; F160-L174 HydrophobicContact CD1-CD2 4.29Å; F160-L174 HydrophobicContact CD1-CG 4.33Å; F160-L174 HydrophobicContact CE1-CD2 3.87Å; F160-L174 HydrophobicContact CE1-CG 4.38Å | ||
| 175 | G | 74.3 | Confident | 85.6 | Confident | 29 Ų | 29 | 57 Ų | 57 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 178 | 157.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R173 P177 E178 | R173-G175 PolarHBondContact O-N 2.61Å; R173-G175 VanDerWaalsContact O-N 3.14Å; G175-P177 CarbonylContact O-C 3.54Å; G175-E178 WeakPolarHBondContact O-CA 3.32Å; G175-E178 PolarHBondContact O-N 3.01Å |
| 176 | Y | 67.2 | Low | 85.6 | Confident | 226 Ų | 226 | 54.1 Ų | 54.1 | 89% | 0.886 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -95.1 | 126.4 | 173.2 | -169.8 | -95.3 | 0 | 0 | 0 | 109.6 | ||
| 177 | P | 68.1 | Low | 85.5 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | S | Bend | cis | -76.7 | 145.4 | -2.5 | 32.3 | -34.4 | 0 | 0 | 0 | 112.1 | G175 R179 | G175-P177 CarbonylContact O-C 3.54Å; P177-R179 PolarHBondContact O-N 2.87Å |
| 178 | E | 71.5 | Confident | 85.4 | Confident | 95 Ų | 95 | 57.4 Ų | 57.4 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.4 | 172.4 | -67.3 | 177.3 | -178.4 | 0 | 0 | 109.2 | R139 F141 G175 | R139-E178 WeakPolarHBondContact CD-OE1 3.35Å; R139-E178 IonicContact CZ-OE1 3.42Å; R139-E178 IonicContact NE-OE1 3.62Å; R139-E178 IonicContact NH1-OE1 3.6Å; R139-E178 PolarHBondContact NH1-OE1 3.02Å; F141-E178 HydrophobicContact CE1-CG 4.31Å; G175-E178 WeakPolarHBondContact O-CA 3.32Å; G175-E178 PolarHBondContact O-N 3.01Å |
| 179 | R | 79.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.8 | 177.1 | -66.7 | -173.6 | -176.6 | 171.4 | 5.2 | 108.9 | R173 P177 Y181 L254 | R173-R179 PolarHBondContact N-O 2.99Å; R173-R179 VanDerWaalsContact N-O 3.11Å; P177-R179 PolarHBondContact O-N 2.87Å; R179-Y181 HydrophobicContact CB-CE2 3.98Å; R179-Y181 WeakPolarHBondContact CD-OH 3.46Å; R179-L254 PolarHBondContact NH1-O 3.03Å |
| 180 | I | 85.2 | Confident | 85.4 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.1 | 175.3 | -54.9 | 176 | 0 | 0 | 0 | 106.8 | V143 R170 I171 | V143-I180 HydrophobicContact CG1-CG2 4.46Å; R170-I180 HydrophobicContact CB-CG2 4.1Å; I171-I180 CarbonylContact O-C 3.54Å; I171-I180 VanDerWaalsContact O-CA 3.31Å; I171-I180 WeakPolarHBondContact O-CA 3.49Å |
| 181 | Y | 87.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 57 Ų | 57 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.5 | 174.5 | -56.1 | -86.4 | 0 | 0 | 0 | 108.6 | R170 I171 R179 N256 Y258 | R170-Y181 CarbonylContact C-O 3.59Å; R170-Y181 VanDerWaalsContact CA-O 3.27Å; R170-Y181 WeakPolarHBondContact CA-O 3.25Å; I171-Y181 HydrophobicContact CB-CD2 4.45Å; I171-Y181 HydrophobicContact CG2-CD2 4.5Å; I171-Y181 PolarHBondContact N-O 2.76Å; I171-Y181 PolarHBondContact O-N 3.27Å; R179-Y181 HydrophobicContact CB-CE2 3.98Å; R179-Y181 WeakPolarHBondContact CD-OH 3.46Å; Y181-N256 WeakPolarHBondContact CE1-O 3.27Å; Y181-Y258 HydrophobicContact CD2-CE2 4.34Å; Y181-Y258 HydrophobicContact CG-CD2 4.47Å; Y181-Y258 HydrophobicContact CG-CE2 4.24Å |
| 182 | G | 90 | Very high | 85.4 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 183 | L | 90.9 | Very high | 85.5 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121 | 170.1 | -48.3 | 174.2 | 0 | 0 | 0 | 108.3 | T169 I171 V202 W214 Y258 | T169-L183 PolarHBondContact N-O 3.07Å; T169-L183 PolarHBondContact O-N 3.48Å; T169-L183 WeakPolarHBondContact OG1-CB 3.49Å; I171-L183 HydrophobicContact CD1-CD1 3.96Å; I171-L183 HydrophobicContact CD1-CG 4.42Å; L183-V202 HydrophobicContact CD1-CG1 3.88Å; L183-W214 HydrophobicContact CB-CH2 4.28Å; L183-W214 HydrophobicContact CB-CZ2 4.17Å; L183-W214 HydrophobicContact CB-CZ3 4.49Å; L183-W214 HydrophobicContact CD1-CD2 4.04Å; L183-W214 HydrophobicContact CD1-CG 4Å; L183-W214 HydrophobicContact CD2-CD2 4.37Å; L183-W214 HydrophobicContact CD2-CE3 4.11Å; L183-W214 HydrophobicContact CD2-CZ3 4.44Å; L183-Y258 HydrophobicContact CD2-CD2 4.29Å; L183-Y258 HydrophobicContact CD2-CG 3.85Å |
| 184 | S | 88.3 | Confident | 85.8 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.8 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 185 | G | 83.1 | Confident | 86.2 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | trans | 167 | 4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 186 | H | 91.3 | Very high | 86.9 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | trans | -100.6 | 155.3 | 177 | -68.5 | -69.8 | 0 | 0 | 0 | 111.2 | T204 D206 V210 | H186-T204 VanDerWaalsContact NE2-CB 3.33Å; H186-T204 WeakPolarHBondContact NE2-CB 3.48Å; H186-T204 PolarHBondContact NE2-OG1 2.85Å; H186-D206 HydrophobicContact CB-CB 4.13Å; H186-D206 IonicContact ND1-OD2 2.66Å; H186-V210 PolarHBondContact CE1-O 3.01Å | ||
| 187 | A | 90.5 | Very high | 87.5 | Confident | 72 Ų | 72 | 44.1 Ų | 44.1 | 60% | 0.595 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -104.4 | -13.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 188 | Y | 90.8 | Very high | 88.2 | Confident | 89 Ų | 89 | 45.8 Ų | 45.8 | 35% | 0.349 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -128.3 | 160.8 | -177.4 | -68.1 | -92.6 | 0 | 0 | 0 | 110.9 | L167 D206 S207 N208 | L167-Y188 WeakPolarHBondContact CD2-O 3.41Å; Y188-D206 WeakPolarHBondContact O-CB 3.36Å; Y188-S207 WeakPolarHBondContact CB-OG 3.45Å; Y188-N208 HydrophobicContact CD1-CB 4.23Å; Y188-N208 HydrophobicContact CD2-CB 3.35Å; Y188-N208 HydrophobicContact CE2-CB 3.73Å; Y188-N208 WeakPolarHBondContact CE2-ND2 3.47Å; Y188-N208 HydrophobicContact CG-CB 3.65Å |
| 189 | P | 92.4 | Very high | 88.9 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | trans | -51.9 | 139.8 | 179 | -31.1 | 37.8 | 0 | 0 | 0 | 112.9 | K165 D206 S207 | K165-P189 HydrophobicContact CB-CB 4.5Å; K165-P189 HydrophobicContact CG-CB 4.3Å; P189-D206 CarbonylContact O-C 3.54Å; P189-D206 WeakPolarHBondContact O-CA 3.49Å; P189-S207 PolarHBondContact O-N 2.88Å | ||
| 190 | I | 94.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.1 | 179 | -67.2 | 144.1 | 0 | 0 | 0 | 109.3 | T149 S164 Q168 T169 C193 | T149-I190 VanDerWaalsContact CB-O 3.31Å; T149-I190 WeakPolarHBondContact CB-O 3.48Å; T149-I190 PolarHBondContact OG1-O 2.85Å; S164-I190 PolarHBondContact O-N 3.05Å; Q168-I190 WeakPolarHBondContact O-CD1 3.38Å; T169-I190 HydrophobicContact CG2-CD1 3.41Å; T169-I190 VanDerWaalsContact CG2-CD1 3.41Å; T169-I190 HydrophobicContact CG2-CG1 4.03Å; T169-I190 HydrophobicContact CG2-CG2 3.94Å; I190-C193 HydrophobicContact CG2-CB 4.43Å |
| 191 | V | 92.8 | Very high | 89.4 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -39.4 | 177.3 | 177 | 0 | 0 | 0 | 0 | 110.9 | C150 L205 V277 A280 | C150-V191 WeakPolarHBondContact CB-O 3.44Å; C150-V191 PolarHBondContact SG-O 3.25Å; C150-V191 VanDerWaalsContact SG-O 3.39Å; V191-L205 PolarHBondContact N-O 2.71Å; V191-V277 HydrophobicContact CG1-CG1 4.21Å; V191-A280 HydrophobicContact CG1-CB 4.48Å |
| 192 | L | 94.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137.7 | -178 | 179.1 | 71.5 | 0 | 0 | 0 | 111 | Y203 T204 L205 A280 F282 L289 | L192-Y203 HydrophobicContact CD2-CE2 3.78Å; L192-Y203 HydrophobicContact CG-CE2 3.85Å; L192-T204 CarbonylContact O-C 3.59Å; L192-T204 WeakPolarHBondContact O-CA 3.4Å; L192-L205 HydrophobicContact CB-CB 4.19Å; L192-L205 HydrophobicContact CB-CD2 4.45Å; L192-L205 PolarHBondContact N-O 3.41Å; L192-L205 PolarHBondContact O-N 3.45Å; L192-A280 HydrophobicContact CB-CB 3.97Å; L192-A280 HydrophobicContact CD2-CB 3.79Å; L192-A280 HydrophobicContact CG-CB 4.45Å; L192-F282 HydrophobicContact CD2-CB 4.15Å; L192-L289 HydrophobicContact CD2-CD1 3.93Å |
| 193 | C | 94.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.9 | 169.5 | 65.6 | 0 | 0 | 0 | 0 | 110.2 | D152 I161 G163 T169 I190 Y203 T204 | D152-C193 WeakPolarHBondContact CB-O 3.3Å; I161-C193 HydrophobicContact CD1-CB 4.16Å; I161-C193 HydrophobicContact CG1-CB 4.34Å; I161-C193 HydrophobicContact CG2-CB 4.48Å; G163-C193 PolarHBondContact N-SG 3.46Å; G163-C193 VanDerWaalsContact N-SG 3.4Å; T169-C193 HydrophobicContact CG2-CB 3.89Å; I190-C193 HydrophobicContact CG2-CB 4.43Å; C193-Y203 VanDerWaalsContact CA-O 3.31Å; C193-Y203 WeakPolarHBondContact CA-O 3.46Å; C193-T204 HydrophobicContact CB-CG2 4.27Å |
| 194 | G | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | -178.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D152 V202 Y203 | D152-G194 WeakPolarHBondContact OD2-CA 3.19Å; G194-V202 VanDerWaalsContact O-CA 3.3Å; G194-V202 WeakPolarHBondContact O-CA 3.12Å; G194-Y203 VanDerWaalsContact CA-CE1 3.41Å; G194-Y203 VanDerWaalsContact CA-CZ 3.45Å; G194-Y203 PolarHBondContact N-O 3.24Å; G194-Y203 VanDerWaalsContact N-O 3.08Å; G194-Y203 VanDerWaalsContact O-CD1 3.24Å; G194-Y203 WeakPolarHBondContact O-CD1 3.24Å; G194-Y203 WeakPolarHBondContact O-CE1 3.19Å; G194-Y203 PolarHBondContact O-N 3.43Å |
| 195 | F | 91.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.2 | 177.5 | -62.1 | -85.9 | 0 | 0 | 0 | 111.6 | D152 I161 I171 S197 Y200 D201 V202 | D152-F195 PolarHBondContact OD2-N 3.1Å; I161-F195 HydrophobicContact CB-CE2 3.9Å; I161-F195 HydrophobicContact CB-CZ 4.02Å; I161-F195 HydrophobicContact CG2-CD2 4.07Å; I161-F195 HydrophobicContact CG2-CE2 3.72Å; I161-F195 HydrophobicContact CG2-CZ 4.29Å; I171-F195 HydrophobicContact CG2-CE1 4.24Å; I171-F195 HydrophobicContact CG2-CZ 3.97Å; F195-S197 VanDerWaalsContact C-N 3.32Å; F195-S197 PolarHBondContact O-N 2.98Å; F195-Y200 HydrophobicContact CE1-CD1 4.49Å; F195-D201 CarbonylContact C-O 3.55Å; F195-D201 WeakPolarHBondContact CA-O 3.29Å; F195-V202 HydrophobicContact CD1-CG2 3.61Å; F195-V202 HydrophobicContact CE1-CG2 3.74Å; F195-V202 HydrophobicContact CG-CG2 4.44Å |
| 196 | L | 87.9 | Confident | 90.8 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | trans | -78.4 | 81.9 | 169.4 | -67.8 | 171.8 | 0 | 0 | 0 | 109 | S199 D201 Y203 F282 | L196-S199 CarbonylContact O-C 3.51Å; L196-S199 WeakPolarHBondContact O-CA 2.71Å; L196-S199 PolarHBondContact O-N 3.4Å; L196-S199 VanDerWaalsContact O-O 3.11Å; L196-S199 PolarHBondContact O-OG 3.4Å; L196-D201 HydrophobicContact CB-CB 4.15Å; L196-D201 HydrophobicContact CD1-CB 3.83Å; L196-D201 HydrophobicContact CG-CB 4.42Å; L196-D201 PolarHBondContact N-O 3.01Å; L196-Y203 HydrophobicContact CD2-CD1 3.99Å; L196-Y203 HydrophobicContact CG-CD1 4.14Å; L196-F282 HydrophobicContact CD2-CE1 3.68Å; L196-F282 HydrophobicContact CD2-CZ 3.63Å | ||
| 197 | S | 81.4 | Confident | 90.8 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.8 | -179.6 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | F195 | F195-S197 VanDerWaalsContact C-N 3.32Å; F195-S197 PolarHBondContact O-N 2.98Å |
| 198 | P | 81.3 | Confident | 90.7 | Very high | 112 Ų | 112 | 29 Ų | 29 | 73% | 0.727 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.1 | 12.2 | 6.4 | 37.5 | -36.5 | 0 | 0 | 0 | 114.9 | H155 | H155-P198 PolarHBondContact CE1-O 2.95Å; H155-P198 PolarHBondContact ND1-O 2.87Å |
| 199 | S | 85.9 | Confident | 90.6 | Very high | 42 Ų | 42 | 24.8 Ų | 24.8 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -85.3 | 165.9 | 175.9 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | L196 D201 | L196-S199 CarbonylContact O-C 3.51Å; L196-S199 WeakPolarHBondContact O-CA 2.71Å; L196-S199 PolarHBondContact O-N 3.4Å; L196-S199 VanDerWaalsContact O-O 3.11Å; L196-S199 PolarHBondContact O-OG 3.4Å; S199-D201 VanDerWaalsContact OG-CB 3.29Å; S199-D201 WeakPolarHBondContact OG-CB 3.37Å; S199-D201 PolarHBondContact OG-N 3.11Å; S199-D201 PolarHBondContact OG-OD2 2.95Å |
| 200 | Y | 86.7 | Confident | 90.6 | Very high | 55 Ų | 55 | 23.2 Ų | 23.2 | 22% | 0.216 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -87.6 | 11.8 | 168.5 | -69.6 | -74.7 | 0 | 0 | 0 | 112.1 | D156 F195 Y258 | D156-Y200 PolarHBondContact OD2-OH 3.19Å; F195-Y200 HydrophobicContact CE1-CD1 4.49Å; Y200-Y258 VanDerWaalsContact O-CE1 3.28Å; Y200-Y258 WeakPolarHBondContact O-CE1 3.46Å |
| 201 | D | 90.3 | Very high | 90.5 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | trans | -66.3 | 149.3 | 171.7 | -60.9 | -28.8 | 0 | 0 | 0 | 109.1 | F195 L196 S199 W214 R215 S216 | F195-D201 CarbonylContact C-O 3.55Å; F195-D201 WeakPolarHBondContact CA-O 3.29Å; L196-D201 HydrophobicContact CB-CB 4.15Å; L196-D201 HydrophobicContact CD1-CB 3.83Å; L196-D201 HydrophobicContact CG-CB 4.42Å; L196-D201 PolarHBondContact N-O 3.01Å; S199-D201 VanDerWaalsContact OG-CB 3.29Å; S199-D201 WeakPolarHBondContact OG-CB 3.37Å; S199-D201 PolarHBondContact OG-N 3.11Å; S199-D201 PolarHBondContact OG-OD2 2.95Å; D201-W214 CarbonylContact C-O 3.58Å; D201-W214 VanDerWaalsContact CA-O 3.31Å; D201-W214 WeakPolarHBondContact CA-O 3.46Å; D201-W214 WeakPolarHBondContact CB-O 3.38Å; D201-R215 VanDerWaalsContact OD1-CA 3.29Å; D201-R215 WeakPolarHBondContact OD1-CA 3.29Å; D201-S216 PolarHBondContact OD1-N 3.09Å | ||
| 202 | V | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.6 | -169.5 | 163.3 | 0 | 0 | 0 | 0 | 110.2 | I161 I171 L183 G194 F195 T204 S213 W214 Y258 | I161-V202 HydrophobicContact CD1-CB 4.29Å; I161-V202 HydrophobicContact CD1-CG1 3.22Å; I161-V202 HydrophobicContact CD1-CG2 4.05Å; I171-V202 HydrophobicContact CD1-CG2 3.78Å; L183-V202 HydrophobicContact CD1-CG1 3.88Å; G194-V202 VanDerWaalsContact O-CA 3.3Å; G194-V202 WeakPolarHBondContact O-CA 3.12Å; F195-V202 HydrophobicContact CD1-CG2 3.61Å; F195-V202 HydrophobicContact CE1-CG2 3.74Å; F195-V202 HydrophobicContact CG-CG2 4.44Å; V202-T204 HydrophobicContact CG1-CG2 4.08Å; V202-S213 CarbonylContact O-C 3.59Å; V202-W214 HydrophobicContact CB-CB 4.12Å; V202-W214 PolarHBondContact N-O 3.24Å; V202-W214 PolarHBondContact O-N 3.49Å; V202-Y258 HydrophobicContact CB-CE1 4.42Å; V202-Y258 HydrophobicContact CG2-CD1 4.48Å; V202-Y258 HydrophobicContact CG2-CE1 3.85Å |
| 203 | Y | 93.2 | Very high | 90.4 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.2 | 170.1 | 66.6 | -86.5 | 0 | 0 | 0 | 110.5 | L192 C193 G194 L196 Y211 V212 F282 | L192-Y203 HydrophobicContact CD2-CE2 3.78Å; L192-Y203 HydrophobicContact CG-CE2 3.85Å; C193-Y203 VanDerWaalsContact CA-O 3.31Å; C193-Y203 WeakPolarHBondContact CA-O 3.46Å; G194-Y203 VanDerWaalsContact CA-CE1 3.41Å; G194-Y203 VanDerWaalsContact CA-CZ 3.45Å; G194-Y203 PolarHBondContact N-O 3.24Å; G194-Y203 VanDerWaalsContact N-O 3.08Å; G194-Y203 VanDerWaalsContact O-CD1 3.24Å; G194-Y203 WeakPolarHBondContact O-CD1 3.24Å; G194-Y203 WeakPolarHBondContact O-CE1 3.19Å; G194-Y203 PolarHBondContact O-N 3.43Å; L196-Y203 HydrophobicContact CD2-CD1 3.99Å; L196-Y203 HydrophobicContact CG-CD1 4.14Å; Y203-Y211 WeakPolarHBondContact CB-OH 3.47Å; Y203-Y211 HydrophobicContact CD2-CE2 4.13Å; Y203-Y211 HydrophobicContact CG-CE2 4.23Å; Y203-V212 CarbonylContact C-O 3.59Å; Y203-V212 WeakPolarHBondContact CA-O 3.24Å; Y203-F282 AromaticContact CD1-CD1 3.99Å; Y203-F282 HydrophobicContact CD1-CD1 3.99Å; Y203-F282 HydrophobicContact CD1-CE1 4.22Å; Y203-F282 HydrophobicContact CE1-CB 4.36Å; Y203-F282 AromaticContact CE1-CD1 3.29Å; Y203-F282 HydrophobicContact CE1-CD1 3.29Å; Y203-F282 AromaticContact CE1-CE1 3.82Å; Y203-F282 HydrophobicContact CE1-CE1 3.82Å; Y203-F282 HydrophobicContact CE1-CG 4.06Å; Y203-F282 HydrophobicContact CE2-CB 3.65Å; Y203-F282 HydrophobicContact CE2-CD1 4.12Å; Y203-F282 HydrophobicContact CE2-CG 4.07Å; Y203-F282 AromaticContact CZ-CD1 3.39Å; Y203-F282 AromaticContact CZ-CG 3.78Å; Y203-F282 WeakPolarHBondContact OH-CB 3.46Å |
| 204 | T | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 138.1 | -177.7 | 57 | 0 | 0 | 0 | 0 | 110.1 | T169 H186 L192 C193 V202 Y211 V212 W214 | T169-T204 HydrophobicContact CG2-CG2 3.56Å; H186-T204 VanDerWaalsContact NE2-CB 3.33Å; H186-T204 WeakPolarHBondContact NE2-CB 3.48Å; H186-T204 PolarHBondContact NE2-OG1 2.85Å; L192-T204 CarbonylContact O-C 3.59Å; L192-T204 WeakPolarHBondContact O-CA 3.4Å; C193-T204 HydrophobicContact CB-CG2 4.27Å; V202-T204 HydrophobicContact CG1-CG2 4.08Å; T204-Y211 CarbonylContact O-C 3.58Å; T204-Y211 WeakPolarHBondContact O-CA 3.37Å; T204-V212 PolarHBondContact N-O 3.17Å; T204-V212 PolarHBondContact O-N 3.01Å; T204-V212 PolarHBondContact OG1-O 2.82Å; T204-W214 PolarHBondContact OG1-NE1 2.92Å |
| 205 | L | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.3 | -179.1 | -178.6 | 73.5 | 0 | 0 | 0 | 110.1 | V191 L192 V210 V266 V277 A280 T291 | V191-L205 PolarHBondContact N-O 2.71Å; L192-L205 HydrophobicContact CB-CB 4.19Å; L192-L205 HydrophobicContact CB-CD2 4.45Å; L192-L205 PolarHBondContact N-O 3.41Å; L192-L205 PolarHBondContact O-N 3.45Å; L205-V210 WeakPolarHBondContact CA-O 3.37Å; L205-V266 HydrophobicContact CD1-CG2 3.71Å; L205-V277 HydrophobicContact CD2-CG1 4.17Å; L205-A280 HydrophobicContact CD2-CB 3.41Å; L205-A280 VanDerWaalsContact CD2-CB 3.41Å; L205-T291 HydrophobicContact CD2-CG2 3.72Å |
| 206 | D | 93.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 169.2 | 174.9 | 76.4 | 10.6 | 0 | 0 | 0 | 113.6 | H186 Y188 P189 N208 G209 V210 | H186-D206 HydrophobicContact CB-CB 4.13Å; H186-D206 IonicContact ND1-OD2 2.66Å; Y188-D206 WeakPolarHBondContact O-CB 3.36Å; P189-D206 CarbonylContact O-C 3.54Å; P189-D206 WeakPolarHBondContact O-CA 3.49Å; D206-N208 PolarHBondContact O-N 2.77Å; D206-N208 PolarHBondContact OD1-N 3.3Å; D206-N208 VanDerWaalsContact OD1-N 3.13Å; D206-G209 PolarHBondContact O-N 2.83Å; D206-G209 PolarHBondContact OD1-N 3.35Å; D206-G209 VanDerWaalsContact OD1-N 3.09Å; D206-V210 PolarHBondContact N-O 3.2Å; D206-V210 VanDerWaalsContact N-O 3.12Å; D206-V210 WeakPolarHBondContact OD1-CA 3.49Å; D206-V210 VanDerWaalsContact OD1-CB 3.29Å; D206-V210 WeakPolarHBondContact OD1-CB 3.32Å; D206-V210 PolarHBondContact OD1-N 3.35Å; D206-V210 WeakPolarHBondContact OD2-CB 3.46Å |
| 207 | S | 91.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 12% | 0.119 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.3 | -179 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | Y188 P189 G209 Y276 V277 | Y188-S207 WeakPolarHBondContact CB-OG 3.45Å; P189-S207 PolarHBondContact O-N 2.88Å; S207-G209 PolarHBondContact O-N 3.31Å; S207-Y276 CarbonylContact O-C 3.54Å; S207-Y276 WeakPolarHBondContact O-CA 3.18Å; S207-Y276 VanDerWaalsContact O-CB 3.3Å; S207-Y276 WeakPolarHBondContact O-CB 3.35Å; S207-V277 PolarHBondContact O-N 2.91Å |
| 208 | N | 89.5 | Confident | 89.4 | Confident | 55 Ų | 55 | 33.8 Ų | 33.8 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.6 | 173.2 | -168.8 | 20.1 | 0 | 0 | 0 | 112.5 | Y188 D206 | Y188-N208 HydrophobicContact CD1-CB 4.23Å; Y188-N208 HydrophobicContact CD2-CB 3.35Å; Y188-N208 HydrophobicContact CE2-CB 3.73Å; Y188-N208 WeakPolarHBondContact CE2-ND2 3.47Å; Y188-N208 HydrophobicContact CG-CB 3.65Å; D206-N208 PolarHBondContact O-N 2.77Å; D206-N208 PolarHBondContact OD1-N 3.3Å; D206-N208 VanDerWaalsContact OD1-N 3.13Å |
| 209 | G | 88.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | trans | 79.4 | 26.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D206 S207 K265 V266 | D206-G209 PolarHBondContact O-N 2.83Å; D206-G209 PolarHBondContact OD1-N 3.35Å; D206-G209 VanDerWaalsContact OD1-N 3.09Å; S207-G209 PolarHBondContact O-N 3.31Å; G209-K265 CarbonylContact O-C 3.54Å; G209-K265 WeakPolarHBondContact O-CA 3.33Å; G209-V266 VanDerWaalsContact O-CG2 3.31Å; G209-V266 WeakPolarHBondContact O-CG2 3.45Å; G209-V266 PolarHBondContact O-N 3.45Å | ||
| 210 | V | 92 | Very high | 86.8 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 9% | 0.085 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 113.6 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | H186 L205 D206 V212 K263 H264 | H186-V210 PolarHBondContact CE1-O 3.01Å; L205-V210 WeakPolarHBondContact CA-O 3.37Å; D206-V210 PolarHBondContact N-O 3.2Å; D206-V210 VanDerWaalsContact N-O 3.12Å; D206-V210 WeakPolarHBondContact OD1-CA 3.49Å; D206-V210 VanDerWaalsContact OD1-CB 3.29Å; D206-V210 WeakPolarHBondContact OD1-CB 3.32Å; D206-V210 PolarHBondContact OD1-N 3.35Å; D206-V210 WeakPolarHBondContact OD2-CB 3.46Å; V210-V212 HydrophobicContact CG1-CG2 4.06Å; V210-K263 HydrophobicContact CG1-CD 4.14Å; V210-K263 HydrophobicContact CG1-CG 3.81Å; V210-H264 CarbonylContact C-O 3.59Å; V210-H264 WeakPolarHBondContact CA-O 3.46Å |
| 211 | Y | 92.7 | Very high | 85.1 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.7 | 172.6 | 176.4 | -96 | 0 | 0 | 0 | 110.7 | Y203 T204 K263 H264 L289 L303 F306 | Y203-Y211 WeakPolarHBondContact CB-OH 3.47Å; Y203-Y211 HydrophobicContact CD2-CE2 4.13Å; Y203-Y211 HydrophobicContact CG-CE2 4.23Å; T204-Y211 CarbonylContact O-C 3.58Å; T204-Y211 WeakPolarHBondContact O-CA 3.37Å; Y211-K263 CarbonylContact O-C 3.48Å; Y211-K263 WeakPolarHBondContact O-CA 3.48Å; Y211-H264 HydrophobicContact CD1-CB 4.46Å; Y211-H264 PolarHBondContact N-O 2.98Å; Y211-H264 PolarHBondContact O-N 2.97Å; Y211-L289 HydrophobicContact CD2-CD2 3.82Å; Y211-L289 HydrophobicContact CE2-CD2 4.13Å; Y211-L289 HydrophobicContact CG-CD2 4.45Å; Y211-L303 HydrophobicContact CD1-CD2 4.49Å; Y211-L303 HydrophobicContact CE1-CD2 3.73Å; Y211-L303 HydrophobicContact CE2-CD1 3.9Å; Y211-L303 HydrophobicContact CE2-CD2 4.42Å; Y211-L303 VanDerWaalsContact OH-CD1 3.31Å; Y211-L303 WeakPolarHBondContact OH-CD1 3.39Å; Y211-F306 AromaticContact CD1-CD2 3.66Å; Y211-F306 HydrophobicContact CD1-CD2 3.66Å; Y211-F306 AromaticContact CD1-CE2 3.61Å; Y211-F306 HydrophobicContact CD1-CE2 3.61Å; Y211-F306 HydrophobicContact CD2-CE2 4.36Å; Y211-F306 HydrophobicContact CE1-CD2 4.13Å; Y211-F306 HydrophobicContact CE1-CE2 4.41Å; Y211-F306 HydrophobicContact CG-CD2 4.13Å; Y211-F306 AromaticContact CG-CE2 3.59Å; Y211-F306 HydrophobicContact CG-CE2 3.59Å |
| 212 | V | 93.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.2 | 177 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | Y203 T204 V210 W214 K260 S262 K263 | Y203-V212 CarbonylContact C-O 3.59Å; Y203-V212 WeakPolarHBondContact CA-O 3.24Å; T204-V212 PolarHBondContact N-O 3.17Å; T204-V212 PolarHBondContact O-N 3.01Å; T204-V212 PolarHBondContact OG1-O 2.82Å; V210-V212 HydrophobicContact CG1-CG2 4.06Å; V212-W214 HydrophobicContact CB-CZ2 4.5Å; V212-W214 HydrophobicContact CG1-CD2 4.21Å; V212-W214 HydrophobicContact CG1-CH2 4.5Å; V212-W214 HydrophobicContact CG1-CZ2 3.7Å; V212-K260 HydrophobicContact CG1-CD 3.89Å; V212-K260 HydrophobicContact CG1-CG 3.7Å; V212-S262 WeakPolarHBondContact CA-O 3.48Å; V212-K263 HydrophobicContact CG2-CB 4.31Å; V212-K263 HydrophobicContact CG2-CG 4.05Å |
| 213 | S | 91.9 | Very high | 80 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.9 | 173.1 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | V202 I261 S262 | V202-S213 CarbonylContact O-C 3.59Å; S213-I261 PolarHBondContact O-N 2.87Å; S213-S262 PolarHBondContact N-O 3.36Å; S213-S262 VanDerWaalsContact N-O 3.07Å; S213-S262 PolarHBondContact OG-N 3.01Å; S213-S262 PolarHBondContact OG-OG 2.96Å |
| 214 | W | 92.5 | Very high | 77.6 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.9 | -174 | -54.3 | 87.6 | 0 | 0 | 0 | 109.8 | L183 D201 V202 T204 V212 Y258 K259 K260 | L183-W214 HydrophobicContact CB-CH2 4.28Å; L183-W214 HydrophobicContact CB-CZ2 4.17Å; L183-W214 HydrophobicContact CB-CZ3 4.49Å; L183-W214 HydrophobicContact CD1-CD2 4.04Å; L183-W214 HydrophobicContact CD1-CG 4Å; L183-W214 HydrophobicContact CD2-CD2 4.37Å; L183-W214 HydrophobicContact CD2-CE3 4.11Å; L183-W214 HydrophobicContact CD2-CZ3 4.44Å; D201-W214 CarbonylContact C-O 3.58Å; D201-W214 VanDerWaalsContact CA-O 3.31Å; D201-W214 WeakPolarHBondContact CA-O 3.46Å; D201-W214 WeakPolarHBondContact CB-O 3.38Å; V202-W214 HydrophobicContact CB-CB 4.12Å; V202-W214 PolarHBondContact N-O 3.24Å; V202-W214 PolarHBondContact O-N 3.49Å; T204-W214 PolarHBondContact OG1-NE1 2.92Å; V212-W214 HydrophobicContact CB-CZ2 4.5Å; V212-W214 HydrophobicContact CG1-CD2 4.21Å; V212-W214 HydrophobicContact CG1-CH2 4.5Å; V212-W214 HydrophobicContact CG1-CZ2 3.7Å; W214-Y258 HydrophobicContact CB-CD1 4.38Å; W214-K259 CarbonylContact C-O 3.6Å; W214-K259 WeakPolarHBondContact CA-O 3.39Å; W214-K260 HydrophobicContact CE3-CB 3.89Å; W214-K260 HydrophobicContact CH2-CB 4.31Å; W214-K260 HydrophobicContact CH2-CD 4.38Å; W214-K260 HydrophobicContact CZ3-CB 3.73Å; W214-K260 HydrophobicContact CZ3-CG 4.47Å |
| 215 | R | 91 | Very high | 75.1 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.6 | 175.4 | -169.6 | 162.4 | -80 | 166.5 | -4.2 | 110.6 | D201 E217 Y258 K259 I261 | D201-R215 VanDerWaalsContact OD1-CA 3.29Å; D201-R215 WeakPolarHBondContact OD1-CA 3.29Å; R215-E217 HydrophobicContact CG-CG 4.49Å; R215-Y258 CarbonylContact O-C 3.54Å; R215-Y258 VanDerWaalsContact O-CA 3.28Å; R215-Y258 WeakPolarHBondContact O-CA 3.35Å; R215-K259 PolarHBondContact N-O 3.18Å; R215-K259 PolarHBondContact O-N 2.69Å; R215-I261 HydrophobicContact CB-CD1 3.56Å; R215-I261 HydrophobicContact CB-CG1 3.66Å; R215-I261 HydrophobicContact CG-CD1 4.43Å |
| 216 | S | 87.3 | Confident | 72.6 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.8 | 167.5 | 176.1 | 0 | 0 | 0 | 0 | 110 | D201 | D201-S216 PolarHBondContact OD1-N 3.09Å |
| 217 | E | 83.8 | Confident | 70 | Confident | 64 Ų | 64 | 71.7 Ų | 71.7 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.6 | 170 | -71.6 | -179.3 | -172 | 0 | 0 | 110 | R215 N256 L257 K259 | R215-E217 HydrophobicContact CG-CG 4.49Å; E217-N256 CarbonylContact O-C 3.54Å; E217-N256 WeakPolarHBondContact O-CA 2.9Å; E217-L257 PolarHBondContact N-O 3.18Å; E217-L257 PolarHBondContact O-N 3.27Å; E217-K259 IonicContact OE1-NZ 3.21Å; E217-K259 PolarHBondContact OE1-NZ 3.45Å; E217-K259 VanDerWaalsContact OE2-CE 3.23Å; E217-K259 WeakPolarHBondContact OE2-CE 3.48Å; E217-K259 IonicContact OE2-NZ 2.83Å; E217-K259 PolarHBondContact OE2-NZ 3.49Å |
| 218 | E | 70.6 | Confident | 67.6 | Low | 124 Ų | 124 | 78.7 Ų | 78.7 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.2 | 171.8 | -59.8 | -167 | 161.4 | 0 | 0 | 109.8 | ||
| 219 | Q | 61.6 | Low | 65.3 | Low | 92 Ų | 92 | 85.6 Ų | 85.6 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.6 | 168.8 | -81.6 | -172.1 | -9.6 | 0 | 0 | 110.3 | V221 R255 L257 | Q219-V221 PolarHBondContact O-N 3.14Å; Q219-R255 PolarHBondContact N-O 3.09Å; Q219-R255 PolarHBondContact O-N 3.18Å; Q219-L257 HydrophobicContact CB-CD1 4.22Å; Q219-L257 HydrophobicContact CG-CD1 4.17Å |
| 220 | T | 51.6 | Low | 62.9 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 64% | 0.638 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 106.6 | 165.8 | 43.2 | 0 | 0 | 0 | 0 | 108.5 | L254 | T220-L254 HydrophobicContact CG2-CD2 3.74Å; T220-L254 HydrophobicContact CG2-CG 4.49Å |
| 221 | V | 51.9 | Low | 60.2 | Low | 57 Ų | 57 | 103 Ų | 103 | 35% | 0.345 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.5 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | Q219 A223 R255 | Q219-V221 PolarHBondContact O-N 3.14Å; V221-A223 PolarHBondContact O-N 3.09Å; V221-R255 HydrophobicContact CG2-CB 4.46Å |
| 222 | A | 38.6 | Very low | 57.6 | Low | 89 Ų | 89 | 108.6 Ų | 108.6 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 223 | A | 37.1 | Very low | 55 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 137.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V221 E225 | V221-A223 PolarHBondContact O-N 3.09Å; A223-E225 PolarHBondContact O-N 3.1Å |
| 224 | P | 41.5 | Very low | 52.6 | Low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128.6 | 171.1 | -11.9 | 25 | 0 | 0 | 0 | 108.1 | E226 | P224-E226 PolarHBondContact O-N 3.38Š|
| 225 | E | 42.9 | Very low | 50 | Low | 184 Ų | 184 | 130.8 Ų | 130.8 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -65.2 | 3.6 | 179.6 | -73.7 | -176.5 | 149.2 | 0 | 0 | 113.9 | A223 | A223-E225 PolarHBondContact O-N 3.1Š|
| 226 | E | 41.8 | Very low | 47.7 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -93.4 | 9.8 | -169.9 | -68.4 | -174.6 | 155 | 0 | 0 | 115.6 | P224 | P224-E226 PolarHBondContact O-N 3.38Š|
| 227 | M | 39.9 | Very low | 45.4 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -114.9 | 15.8 | 176.6 | -72.8 | -167 | 72.1 | 0 | 0 | 115 | ||
| 228 | L | 40.7 | Very low | 43.2 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -108.2 | 21.8 | 178.2 | -76.8 | 168.1 | 0 | 0 | 0 | 113.8 | ||
| 229 | K | 41 | Very low | 41.7 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -127.6 | 6.9 | -174.8 | -80.2 | -174.2 | 177.7 | 174.7 | 0 | 117.2 | ||
| 230 | E | 37.6 | Very low | 40.4 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -127.9 | 68.2 | 179.7 | -67.8 | -175.5 | 170.7 | 0 | 0 | 110.6 | ||
| 231 | E | 36.1 | Very low | 39.7 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -175.5 | 79 | 164.7 | -106.7 | 170.2 | -148.3 | 0 | 0 | 108.5 | ||
| 232 | S | 36.9 | Very low | 38.9 | Very low | 124 Ų | 124 | 149 Ų | 149 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | 166.2 | 65.8 | 155.5 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 233 | Q | 38.5 | Very low | 38.9 | Very low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -115.4 | 109.7 | 146.7 | -83.8 | -178.7 | -23.5 | 0 | 0 | 105.1 | ||||
| 234 | D | 40.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 84% | 0.839 | S | S | * | * | S | Bend | trans | 148.9 | 127.8 | 143.8 | -70 | -15.7 | 0 | 0 | 0 | 111.5 | ||
| 235 | D | 38.9 | Very low | 38.4 | Very low | 158 Ų | 158 | 158.6 Ų | 158.6 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | 85.8 | 91.6 | 159.8 | -59.8 | -18.8 | 0 | 0 | 0 | 120.2 | S237 | D235-S237 PolarHBondContact O-N 3.3Š| ||
| 236 | D | 41.8 | Very low | 38.2 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | trans | -44.2 | 123 | 147.7 | -76.9 | -42.2 | 0 | 0 | 0 | 112.5 | ||||
| 237 | S | 39.9 | Very low | 37.8 | Very low | 116 Ų | 116 | 157.6 Ų | 157.6 | 81% | 0.811 | 85% | 0.845 | S | S | * | * | 174.4 | 134.3 | 117 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | D235 | D235-S237 PolarHBondContact O-N 3.3Š| |||
| 238 | S | 37.2 | Very low | 37.5 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | trans | -43.5 | 142.3 | 174.9 | 52.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 239 | V | 38.9 | Very low | 37.4 | Very low | 137 Ų | 137 | 156 Ų | 156 | 83% | 0.83 | 84% | 0.839 | S | S | * | * | -172.9 | 135.4 | 105.7 | 156.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 240 | S | 35.5 | Very low | 37.1 | Very low | 111 Ų | 111 | 154 Ų | 154 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | -65.7 | 135.4 | -175.4 | 53.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 241 | S | 36.7 | Very low | 37.1 | Very low | 115 Ų | 115 | 156 Ų | 156 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -153.7 | 110.9 | 141.7 | 61 | 0 | 0 | 0 | 0 | 112 | S243 | S241-S243 PolarHBondContact O-N 2.86Š| ||
| 242 | K | 34.2 | Very low | 37.2 | Very low | 221 Ų | 221 | 154.6 Ų | 154.6 | 96% | 0.961 | 83% | 0.831 | S | S | * | * | trans | -8.9 | 108.1 | 166.8 | -65 | 170.8 | 178.3 | 174.6 | 0 | 116.9 | ||||
| 243 | S | 37.9 | Very low | 37.8 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -114.8 | 126.4 | 158.8 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | S241 K245 | S241-S243 PolarHBondContact O-N 2.86Å; S243-K245 PolarHBondContact O-N 3.09Å | ||
| 244 | T | 36.4 | Very low | 38.5 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -55.7 | 117.4 | 174.1 | 25.4 | 0 | 0 | 0 | 0 | 111.5 | K246 | T244-K246 PolarHBondContact O-N 2.71Å; T244-K246 VanDerWaalsContact O-N 3.12Å | ||
| 245 | K | 33.6 | Very low | 39.4 | Very low | 202 Ų | 202 | 149.9 Ų | 149.9 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | -64.5 | 106.2 | 169 | -73.9 | -179.2 | 175.3 | -178.7 | 0 | 109.4 | S243 | S243-K245 PolarHBondContact O-N 3.09Š| ||
| 246 | K | 38.2 | Very low | 40.7 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 81% | 0.809 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -89 | 117.2 | 156.5 | -79.2 | -175.5 | 176.2 | 179.5 | 0 | 107.6 | T244 F248 | T244-K246 PolarHBondContact O-N 2.71Å; T244-K246 VanDerWaalsContact O-N 3.12Å; K246-F248 PolarHBondContact O-N 2.99Å |
| 247 | N | 33.6 | Very low | 42.5 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.3 | 172.6 | -72.6 | -20.7 | 0 | 0 | 0 | 110 | ||
| 248 | F | 33.9 | Very low | 44.6 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 122.8 | 162.5 | -80.1 | -87.3 | 0 | 0 | 0 | 107.9 | K246 | K246-F248 PolarHBondContact O-N 2.99Š|
| 249 | P | 38.2 | Very low | 47 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 148.1 | 171.5 | 32.1 | -29.7 | 0 | 0 | 0 | 111 | ||
| 250 | D | 34.2 | Very low | 49.4 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 66% | 0.656 | S | S | * | * | trans | -41.6 | 128.9 | -174.7 | -71.5 | -45.9 | 0 | 0 | 0 | 116.2 | Q252 | D250-Q252 PolarHBondContact O-N 3.4Š| ||
| 251 | R | 37.6 | Very low | 51.9 | Low | 229 Ų | 229 | 131.2 Ų | 131.2 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | trans | -85.9 | 82.9 | 172.4 | -78.7 | -177.3 | 169.3 | 179 | -2.2 | 111.3 | ||||
| 252 | Q | 39.2 | Very low | 54.4 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 77% | 0.771 | 61% | 0.612 | S | S | * | * | trans | -69.3 | 130.4 | 160.6 | -68.4 | 179 | -2.2 | 0 | 0 | 109.7 | D250 | D250-Q252 PolarHBondContact O-N 3.4Š| ||
| 253 | K | 49 | Very low | 57.1 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 53% | 0.53 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.5 | -177.7 | -71.3 | 178.6 | -178 | 172.6 | 0 | 110.5 | ||
| 254 | L | 51.9 | Low | 59.6 | Low | 94 Ų | 94 | 120.3 Ų | 120.3 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 136.8 | 169.2 | -73.9 | 147.6 | 0 | 0 | 0 | 110.8 | R179 T220 | R179-L254 PolarHBondContact NH1-O 3.03Å; T220-L254 HydrophobicContact CG2-CD2 3.74Å; T220-L254 HydrophobicContact CG2-CG 4.49Å |
| 255 | R | 59.8 | Low | 62.1 | Low | 142 Ų | 142 | 117.7 Ų | 117.7 | 54% | 0.536 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.7 | 172.3 | -80.3 | -175.4 | 169.5 | -176.5 | -2.2 | 109.9 | Q219 V221 | Q219-R255 PolarHBondContact N-O 3.09Å; Q219-R255 PolarHBondContact O-N 3.18Å; V221-R255 HydrophobicContact CG2-CB 4.46Å |
| 256 | N | 66.8 | Low | 64.4 | Low | 9 Ų | 9 | 108.6 Ų | 108.6 | 5% | 0.048 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.4 | 172.4 | -63 | 23.1 | 0 | 0 | 0 | 107.8 | Y181 E217 | Y181-N256 WeakPolarHBondContact CE1-O 3.27Å; E217-N256 CarbonylContact O-C 3.54Å; E217-N256 WeakPolarHBondContact O-CA 2.9Å |
| 257 | L | 79.3 | Confident | 66.1 | Low | 79 Ų | 79 | 100.9 Ų | 100.9 | 41% | 0.414 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.6 | 173.9 | -81 | 153.3 | 0 | 0 | 0 | 108.5 | E217 Q219 | E217-L257 PolarHBondContact N-O 3.18Å; E217-L257 PolarHBondContact O-N 3.27Å; Q219-L257 HydrophobicContact CB-CD1 4.22Å; Q219-L257 HydrophobicContact CG-CD1 4.17Å |
| 258 | Y | 85.3 | Confident | 67.4 | Low | 34 Ų | 34 | 100.1 Ų | 100.1 | 13% | 0.133 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.5 | 178.1 | -72.2 | -88 | 0 | 0 | 0 | 110.2 | I171 Y181 L183 Y200 V202 W214 R215 | I171-Y258 HydrophobicContact CD1-CD1 4.04Å; I171-Y258 HydrophobicContact CD1-CD2 3.93Å; I171-Y258 HydrophobicContact CD1-CE1 3.57Å; I171-Y258 HydrophobicContact CD1-CE2 3.47Å; I171-Y258 VanDerWaalsContact CD1-CE2 3.47Å; I171-Y258 HydrophobicContact CD1-CG 4.2Å; Y181-Y258 HydrophobicContact CD2-CE2 4.34Å; Y181-Y258 HydrophobicContact CG-CD2 4.47Å; Y181-Y258 HydrophobicContact CG-CE2 4.24Å; L183-Y258 HydrophobicContact CD2-CD2 4.29Å; L183-Y258 HydrophobicContact CD2-CG 3.85Å; Y200-Y258 VanDerWaalsContact O-CE1 3.28Å; Y200-Y258 WeakPolarHBondContact O-CE1 3.46Å; V202-Y258 HydrophobicContact CB-CE1 4.42Å; V202-Y258 HydrophobicContact CG2-CD1 4.48Å; V202-Y258 HydrophobicContact CG2-CE1 3.85Å; W214-Y258 HydrophobicContact CB-CD1 4.38Å; R215-Y258 CarbonylContact O-C 3.54Å; R215-Y258 VanDerWaalsContact O-CA 3.28Å; R215-Y258 WeakPolarHBondContact O-CA 3.35Å |
| 259 | K | 87.4 | Confident | 68.1 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.1 | 176.6 | -70.5 | -178.6 | -177.8 | 164.6 | 0 | 110.5 | W214 R215 E217 I261 | W214-K259 CarbonylContact C-O 3.6Å; W214-K259 WeakPolarHBondContact CA-O 3.39Å; R215-K259 PolarHBondContact N-O 3.18Å; R215-K259 PolarHBondContact O-N 2.69Å; E217-K259 IonicContact OE1-NZ 3.21Å; E217-K259 PolarHBondContact OE1-NZ 3.45Å; E217-K259 VanDerWaalsContact OE2-CE 3.23Å; E217-K259 WeakPolarHBondContact OE2-CE 3.48Å; E217-K259 IonicContact OE2-NZ 2.83Å; E217-K259 PolarHBondContact OE2-NZ 3.49Å; K259-I261 PolarHBondContact O-N 3.44Å |
| 260 | K | 89.4 | Confident | 68.6 | Low | 93 Ų | 93 | 94.3 Ų | 94.3 | 40% | 0.404 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 123.8 | 173.8 | -176.2 | 169.5 | 179.6 | 170.9 | 0 | 110.2 | V212 W214 | V212-K260 HydrophobicContact CG1-CD 3.89Å; V212-K260 HydrophobicContact CG1-CG 3.7Å; W214-K260 HydrophobicContact CE3-CB 3.89Å; W214-K260 HydrophobicContact CH2-CB 4.31Å; W214-K260 HydrophobicContact CH2-CD 4.38Å; W214-K260 HydrophobicContact CZ3-CB 3.73Å; W214-K260 HydrophobicContact CZ3-CG 4.47Å |
| 261 | I | 88 | Confident | 69.7 | Low | 87 Ų | 87 | 92.1 Ų | 92.1 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -58 | -179.7 | -48.2 | 171.2 | 0 | 0 | 0 | 110 | S213 R215 K259 | S213-I261 PolarHBondContact O-N 2.87Å; R215-I261 HydrophobicContact CB-CD1 3.56Å; R215-I261 HydrophobicContact CB-CG1 3.66Å; R215-I261 HydrophobicContact CG-CD1 4.43Å; K259-I261 PolarHBondContact O-N 3.44Å |
| 262 | S | 89.1 | Confident | 70.8 | Confident | 30 Ų | 30 | 87.8 Ų | 87.8 | 21% | 0.21 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.5 | -174.2 | 75.1 | 0 | 0 | 0 | 0 | 111.7 | V212 S213 H264 | V212-S262 WeakPolarHBondContact CA-O 3.48Å; S213-S262 PolarHBondContact N-O 3.36Å; S213-S262 VanDerWaalsContact N-O 3.07Å; S213-S262 PolarHBondContact OG-N 3.01Å; S213-S262 PolarHBondContact OG-OG 2.96Å; S262-H264 VanDerWaalsContact CB-NE2 3.28Å; S262-H264 WeakPolarHBondContact CB-NE2 3.25Å; S262-H264 PolarHBondContact OG-CD2 3.11Å; S262-H264 PolarHBondContact OG-NE2 3.16Å |
| 263 | K | 91 | Very high | 71.9 | Confident | 126 Ų | 126 | 86.6 Ų | 86.6 | 55% | 0.548 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.4 | 174.5 | 179.9 | -178.1 | -176.6 | 175.5 | 0 | 106.9 | V210 Y211 V212 | V210-K263 HydrophobicContact CG1-CD 4.14Å; V210-K263 HydrophobicContact CG1-CG 3.81Å; Y211-K263 CarbonylContact O-C 3.48Å; Y211-K263 WeakPolarHBondContact O-CA 3.48Å; V212-K263 HydrophobicContact CG2-CB 4.31Å; V212-K263 HydrophobicContact CG2-CG 4.05Å |
| 264 | H | 90.2 | Very high | 73.2 | Confident | 63 Ų | 63 | 83.8 Ų | 83.8 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 154.8 | 178.4 | -59.1 | -88.7 | 0 | 0 | 0 | 109.3 | V210 Y211 S262 F306 | V210-H264 CarbonylContact C-O 3.59Å; V210-H264 WeakPolarHBondContact CA-O 3.46Å; Y211-H264 HydrophobicContact CD1-CB 4.46Å; Y211-H264 PolarHBondContact N-O 2.98Å; Y211-H264 PolarHBondContact O-N 2.97Å; S262-H264 VanDerWaalsContact CB-NE2 3.28Å; S262-H264 WeakPolarHBondContact CB-NE2 3.25Å; S262-H264 PolarHBondContact OG-CD2 3.11Å; S262-H264 PolarHBondContact OG-NE2 3.16Å; H264-F306 HydrophobicContact CB-CB 4.4Å; H264-F306 HydrophobicContact CB-CD1 3.49Å; H264-F306 VanDerWaalsContact CB-CD1 3.49Å; H264-F306 HydrophobicContact CB-CD2 3.78Å; H264-F306 HydrophobicContact CB-CE1 3.56Å; H264-F306 HydrophobicContact CB-CE2 3.87Å; H264-F306 HydrophobicContact CB-CG 3.61Å; H264-F306 HydrophobicContact CB-CZ 3.75Å; H264-F306 AromaticContact CG-CD1 3.83Å; H264-F306 AromaticContact CG-CD2 3.99Å; H264-F306 AromaticContact CG-CG 3.61Å; H264-F306 AromaticContact ND1-CG 3.95Å |
| 265 | K | 87.7 | Confident | 74.7 | Confident | 83 Ų | 83 | 80.9 Ų | 80.9 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.7 | 172.3 | -159.1 | 179 | 173.1 | -163.5 | 0 | 107.6 | G209 F267 | G209-K265 CarbonylContact O-C 3.54Å; G209-K265 WeakPolarHBondContact O-CA 3.33Å; K265-F267 VanDerWaalsContact C-N 3.26Å; K265-F267 WeakPolarHBondContact CD-O 3.34Å; K265-F267 WeakPolarHBondContact CE-O 3.43Å; K265-F267 WeakPolarHBondContact CG-O 3.37Å; K265-F267 PolarHBondContact NZ-O 3.3Å; K265-F267 PolarHBondContact O-N 2.82Å |
| 266 | V | 83.1 | Confident | 76.1 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -65.5 | -34.2 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L205 G209 T291 V299 F306 | L205-V266 HydrophobicContact CD1-CG2 3.71Å; G209-V266 VanDerWaalsContact O-CG2 3.31Å; G209-V266 WeakPolarHBondContact O-CG2 3.45Å; G209-V266 PolarHBondContact O-N 3.45Å; V266-T291 HydrophobicContact CG1-CG2 4.14Å; V266-T291 VanDerWaalsContact CG1-OG1 3.28Å; V266-T291 WeakPolarHBondContact CG1-OG1 3.46Å; V266-T291 HydrophobicContact CG2-CG2 4.25Å; V266-V299 HydrophobicContact CG1-CB 4.42Å; V266-F306 HydrophobicContact CB-CZ 4.48Å; V266-F306 HydrophobicContact CG2-CZ 3.88Å |
| 267 | F | 72.9 | Confident | 77.3 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 11% | 0.105 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -123 | 128.2 | 177.9 | -86.4 | -100.1 | 0 | 0 | 0 | 111.6 | K265 E271 H293 V299 | K265-F267 VanDerWaalsContact C-N 3.26Å; K265-F267 WeakPolarHBondContact CD-O 3.34Å; K265-F267 WeakPolarHBondContact CE-O 3.43Å; K265-F267 WeakPolarHBondContact CG-O 3.37Å; K265-F267 PolarHBondContact NZ-O 3.3Å; K265-F267 PolarHBondContact O-N 2.82Å; F267-E271 VanDerWaalsContact CE1-OE2 3.27Å; F267-E271 WeakPolarHBondContact CE1-OE2 3.42Å; F267-H293 AromaticContact CD2-CE1 3.33Å; F267-H293 WeakPolarHBondContact CD2-CE1 3.49Å; F267-H293 AromaticContact CD2-ND1 3.83Å; F267-H293 AromaticContact CD2-NE2 3.9Å; F267-H293 AromaticContact CE2-CD2 3.6Å; F267-H293 AromaticContact CE2-CE1 2.99Å; F267-H293 WeakPolarHBondContact CE2-CE1 3.41Å; F267-H293 AromaticContact CE2-CG 3.86Å; F267-H293 AromaticContact CE2-ND1 3.49Å; F267-H293 WeakPolarHBondContact CE2-ND1 3.34Å; F267-H293 AromaticContact CE2-NE2 3.11Å; F267-H293 WeakPolarHBondContact CE2-NE2 3.24Å; F267-H293 AromaticContact CZ-CD2 3.93Å; F267-H293 AromaticContact CZ-CE1 3.95Å; F267-H293 AromaticContact CZ-NE2 3.91Å; F267-V299 HydrophobicContact CD2-CG2 4.48Å; F267-V299 HydrophobicContact CE1-CG2 4.39Å; F267-V299 HydrophobicContact CE2-CB 4.22Å; F267-V299 HydrophobicContact CE2-CG2 3.27Å; F267-V299 HydrophobicContact CZ-CG2 3.25Å |
| 268 | D | 61.9 | Low | 77.8 | Confident | 142 Ų | 142 | 75.6 Ų | 75.6 | 76% | 0.759 | 42% | 0.421 | S | S | * | . | trans | -69.9 | 142 | 162.8 | -81.3 | -24.8 | 0 | 0 | 0 | 109.8 | G270 | D268-G270 PolarHBondContact O-N 3.31Š| ||
| 269 | S | 49.2 | Very low | 78.2 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 77% | 0.769 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 17.7 | -172.3 | 48.1 | 0 | 0 | 0 | 0 | 116 | ||
| 270 | G | 48.2 | Very low | 78.5 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D268 | D268-G270 PolarHBondContact O-N 3.31Š|
| 271 | E | 56 | Low | 78.8 | Confident | 110 Ų | 110 | 68.8 Ų | 68.8 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -105.2 | 156.9 | 179.2 | -65.1 | -174.5 | -179.9 | 0 | 0 | 111.4 | F267 | F267-E271 VanDerWaalsContact CE1-OE2 3.27Å; F267-E271 WeakPolarHBondContact CE1-OE2 3.42Å |
| 272 | E | 60.7 | Low | 79 | Confident | 137 Ų | 137 | 65.4 Ų | 65.4 | 64% | 0.64 | 38% | 0.378 | S | S | * | . | trans | -30.9 | 125.7 | -160 | -63.8 | -179.8 | 162.9 | 0 | 0 | 115.4 | G274 T275 | E272-G274 PolarHBondContact O-N 2.95Å; E272-T275 HydrophobicContact CB-CG2 4.21Å; E272-T275 WeakPolarHBondContact O-CG2 3.49Å; E272-T275 PolarHBondContact O-N 3.38Å; E272-T275 PolarHBondContact O-OG1 2.9Å | ||
| 273 | P | 63.9 | Low | 79.2 | Confident | 140 Ų | 140 | 65 Ų | 65 | 91% | 0.909 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 125.5 | 178.5 | 25.9 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 274 | G | 75.5 | Confident | 79.1 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107 | 6.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E272 Y276 | E272-G274 PolarHBondContact O-N 2.95Å; G274-Y276 WeakPolarHBondContact O-CD1 3.41Å |
| 275 | T | 84.2 | Confident | 78.9 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 20% | 0.202 | 38% | 0.38 | C | S | . | . | trans | -76.5 | 132.9 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | E272 N295 | E272-T275 HydrophobicContact CB-CG2 4.21Å; E272-T275 WeakPolarHBondContact O-CG2 3.49Å; E272-T275 PolarHBondContact O-N 3.38Å; E272-T275 PolarHBondContact O-OG1 2.9Å; T275-N295 HydrophobicContact CG2-CB 3.99Å; T275-N295 WeakPolarHBondContact CG2-ND2 3.44Å | ||
| 276 | Y | 87.8 | Confident | 79 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | trans | -137.3 | 155.7 | 178.5 | 61.3 | -90.3 | 0 | 0 | 0 | 110.8 | S207 G274 T278 H293 S294 | S207-Y276 CarbonylContact O-C 3.54Å; S207-Y276 WeakPolarHBondContact O-CA 3.18Å; S207-Y276 VanDerWaalsContact O-CB 3.3Å; S207-Y276 WeakPolarHBondContact O-CB 3.35Å; G274-Y276 WeakPolarHBondContact O-CD1 3.41Å; Y276-T278 HydrophobicContact CD2-CG2 3.96Å; Y276-T278 HydrophobicContact CE2-CG2 3.56Å; Y276-T278 PolarHBondContact O-N 3.49Å; Y276-H293 CarbonylContact O-C 3.59Å; Y276-H293 WeakPolarHBondContact O-CA 3.31Å; Y276-S294 PolarHBondContact N-OG 3.21Å; Y276-S294 VanDerWaalsContact N-OG 3.14Å; Y276-S294 PolarHBondContact O-N 3.34Å | ||
| 277 | V | 92 | Very high | 79.3 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.024 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.8 | 176 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | V191 L205 S207 S279 A280 | V191-V277 HydrophobicContact CG1-CG1 4.21Å; L205-V277 HydrophobicContact CD2-CG1 4.17Å; S207-V277 PolarHBondContact O-N 2.91Å; V277-S279 WeakPolarHBondContact CG1-O 3.46Å; V277-A280 HydrophobicContact CG1-CB 4.39Å |
| 278 | T | 90.6 | Very high | 80.3 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 23% | 0.233 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -33.2 | 178.9 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | Y276 G292 P318 I319 | Y276-T278 HydrophobicContact CD2-CG2 3.96Å; Y276-T278 HydrophobicContact CE2-CG2 3.56Å; Y276-T278 PolarHBondContact O-N 3.49Å; T278-G292 PolarHBondContact N-O 3.34Å; T278-G292 PolarHBondContact OG1-O 3.31Å; T278-G292 VanDerWaalsContact OG1-O 3.08Å; T278-P318 HydrophobicContact CG2-CB 4.02Å; T278-I319 VanDerWaalsContact CB-O 3.29Å; T278-I319 WeakPolarHBondContact CB-O 3.46Å; T278-I319 PolarHBondContact OG1-O 3.01Å |
| 279 | S | 92.6 | Very high | 81.9 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 152.9 | 178.6 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | V277 G292 I319 N320 V322 | V277-S279 WeakPolarHBondContact CG1-O 3.46Å; S279-G292 PolarHBondContact N-O 3.1Å; S279-G292 PolarHBondContact O-N 2.92Å; S279-I319 PolarHBondContact OG-O 2.62Å; S279-N320 WeakPolarHBondContact CB-O 3.38Å; S279-V322 WeakPolarHBondContact OG-CG2 3.27Å |
| 280 | A | 94.8 | Very high | 84.1 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 152.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | V191 L192 L205 V277 V290 T291 | V191-A280 HydrophobicContact CG1-CB 4.48Å; L192-A280 HydrophobicContact CB-CB 3.97Å; L192-A280 HydrophobicContact CD2-CB 3.79Å; L192-A280 HydrophobicContact CG-CB 4.45Å; L205-A280 HydrophobicContact CD2-CB 3.41Å; L205-A280 VanDerWaalsContact CD2-CB 3.41Å; V277-A280 HydrophobicContact CG1-CB 4.39Å; A280-V290 CarbonylContact C-O 3.55Å; A280-V290 VanDerWaalsContact CA-O 3.22Å; A280-V290 WeakPolarHBondContact CA-O 3.21Å; A280-T291 HydrophobicContact CB-CG2 4.06Å |
| 281 | F | 94.7 | Very high | 86.3 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 26% | 0.263 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 137.8 | 175.9 | -171.1 | -88.1 | 0 | 0 | 0 | 110.1 | H283 V290 V322 V323 V324 | F281-H283 HydrophobicContact CD1-CB 4.49Å; F281-H283 HydrophobicContact CE1-CB 4.09Å; F281-V290 PolarHBondContact N-O 3.14Å; F281-V290 PolarHBondContact O-N 2.9Å; F281-V322 HydrophobicContact CB-CG1 4.03Å; F281-V322 WeakPolarHBondContact CB-O 3.32Å; F281-V323 HydrophobicContact CD2-CG1 4.3Å; F281-V323 HydrophobicContact CE2-CG1 4.01Å; F281-V323 HydrophobicContact CZ-CG1 4.32Å; F281-V324 HydrophobicContact CD1-CB 3.82Å; F281-V324 HydrophobicContact CD1-CG2 3.64Å; F281-V324 HydrophobicContact CE1-CB 3.79Å; F281-V324 HydrophobicContact CE1-CG2 4.15Å |
| 282 | F | 93.6 | Very high | 88.1 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.4 | 173.6 | 174 | -109.9 | 0 | 0 | 0 | 110.2 | L192 L196 Y203 A284 L288 L289 L303 | L192-F282 HydrophobicContact CD2-CB 4.15Å; L196-F282 HydrophobicContact CD2-CE1 3.68Å; L196-F282 HydrophobicContact CD2-CZ 3.63Å; Y203-F282 AromaticContact CD1-CD1 3.99Å; Y203-F282 HydrophobicContact CD1-CD1 3.99Å; Y203-F282 HydrophobicContact CD1-CE1 4.22Å; Y203-F282 HydrophobicContact CE1-CB 4.36Å; Y203-F282 AromaticContact CE1-CD1 3.29Å; Y203-F282 HydrophobicContact CE1-CD1 3.29Å; Y203-F282 AromaticContact CE1-CE1 3.82Å; Y203-F282 HydrophobicContact CE1-CE1 3.82Å; Y203-F282 HydrophobicContact CE1-CG 4.06Å; Y203-F282 HydrophobicContact CE2-CB 3.65Å; Y203-F282 HydrophobicContact CE2-CD1 4.12Å; Y203-F282 HydrophobicContact CE2-CG 4.07Å; Y203-F282 AromaticContact CZ-CD1 3.39Å; Y203-F282 AromaticContact CZ-CG 3.78Å; Y203-F282 WeakPolarHBondContact OH-CB 3.46Å; F282-A284 HydrophobicContact CD1-CB 4.43Å; F282-A284 HydrophobicContact CE1-CB 3.85Å; F282-L288 WeakPolarHBondContact CA-O 3.44Å; F282-L288 WeakPolarHBondContact CD2-O 3.38Å; F282-L289 HydrophobicContact CB-CD1 4.14Å; F282-L289 HydrophobicContact CD2-CB 4.2Å; F282-L303 HydrophobicContact CD2-CD1 3.58Å; F282-L303 HydrophobicContact CE2-CB 4.09Å; F282-L303 HydrophobicContact CE2-CD1 3.36Å; F282-L303 HydrophobicContact CE2-CG 4.22Å; F282-L303 HydrophobicContact CZ-CD1 4.21Å |
| 283 | H | 92.9 | Very high | 89.6 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 105 | 174.4 | -173.8 | -118.1 | 0 | 0 | 0 | 109.8 | F281 A285 S286 K287 L288 V324 S326 | F281-H283 HydrophobicContact CD1-CB 4.49Å; F281-H283 HydrophobicContact CE1-CB 4.09Å; H283-A285 VanDerWaalsContact C-N 3.34Å; H283-A285 PolarHBondContact O-N 3.08Å; H283-S286 WeakPolarHBondContact ND1-CB 3.14Å; H283-S286 PolarHBondContact ND1-N 3.07Å; H283-S286 PolarHBondContact ND1-OG 3.09Å; H283-K287 VanDerWaalsContact O-CA 3.27Å; H283-K287 WeakPolarHBondContact O-CA 3.38Å; H283-K287 PolarHBondContact O-N 3.39Å; H283-L288 HydrophobicContact CB-CB 4.48Å; H283-L288 PolarHBondContact N-O 3.28Å; H283-L288 PolarHBondContact O-N 3.21Å; H283-V324 HydrophobicContact CB-CB 4.16Å; H283-V324 HydrophobicContact CB-CG1 4.12Å; H283-V324 HydrophobicContact CB-CG2 4.5Å; H283-S326 PolarHBondContact NE2-O 3.4Å |
| 284 | A | 87.8 | Confident | 90.8 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 26% | 0.256 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F282 K287 | F282-A284 HydrophobicContact CD1-CB 4.43Å; F282-A284 HydrophobicContact CE1-CB 3.85Å; A284-K287 PolarHBondContact O-N 3.24Å |
| 285 | A | 87.6 | Confident | 91.4 | Very high | 88 Ų | 88 | 29.3 Ų | 29.3 | 73% | 0.727 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -40.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H283 | H283-A285 VanDerWaalsContact C-N 3.34Å; H283-A285 PolarHBondContact O-N 3.08Å |
| 286 | S | 88.1 | Confident | 91.6 | Very high | 43 Ų | 43 | 27.8 Ų | 27.8 | 30% | 0.301 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.7 | 174.1 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | H283 L288 | H283-S286 WeakPolarHBondContact ND1-CB 3.14Å; H283-S286 PolarHBondContact ND1-N 3.07Å; H283-S286 PolarHBondContact ND1-OG 3.09Å; S286-L288 PolarHBondContact O-N 3.09Å; S286-L288 WeakPolarHBondContact OG-CB 3.4Å |
| 287 | K | 91.2 | Very high | 91.8 | Very high | 112 Ų | 112 | 24.4 Ų | 24.4 | 49% | 0.487 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35 | -174.1 | -50.9 | 177.1 | -176.9 | 169.7 | 0 | 113.6 | H283 A284 L303 | H283-K287 VanDerWaalsContact O-CA 3.27Å; H283-K287 WeakPolarHBondContact O-CA 3.38Å; H283-K287 PolarHBondContact O-N 3.39Å; A284-K287 PolarHBondContact O-N 3.24Å; K287-L303 HydrophobicContact CB-CB 4.43Å; K287-L303 WeakPolarHBondContact CB-O 3.48Å; K287-L303 VanDerWaalsContact CD-O 3.26Å; K287-L303 WeakPolarHBondContact CD-O 3.47Å; K287-L303 PolarHBondContact O-N 2.86Å |
| 288 | L | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.7 | -178.3 | -171.9 | 79.1 | 0 | 0 | 0 | 110.3 | F282 H283 S286 V290 L300 I309 V324 I331 | F282-L288 WeakPolarHBondContact CA-O 3.44Å; F282-L288 WeakPolarHBondContact CD2-O 3.38Å; H283-L288 HydrophobicContact CB-CB 4.48Å; H283-L288 PolarHBondContact N-O 3.28Å; H283-L288 PolarHBondContact O-N 3.21Å; S286-L288 PolarHBondContact O-N 3.09Å; S286-L288 WeakPolarHBondContact OG-CB 3.4Å; L288-V290 HydrophobicContact CD2-CG2 3.75Å; L288-V290 HydrophobicContact CG-CG2 4.03Å; L288-L300 HydrophobicContact CD1-CB 4.46Å; L288-L300 HydrophobicContact CD1-CD2 4.05Å; L288-L300 HydrophobicContact CD1-CG 4.21Å; L288-L300 HydrophobicContact CD2-CD2 4.38Å; L288-I309 HydrophobicContact CD1-CD1 3.57Å; L288-V324 HydrophobicContact CD2-CG2 4.34Å; L288-I331 HydrophobicContact CD2-CD1 4.02Å |
| 289 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.3 | 169 | 176.2 | 66.9 | 0 | 0 | 0 | 109.3 | L192 Y211 F282 T291 L300 H301 L303 F306 | L192-L289 HydrophobicContact CD2-CD1 3.93Å; Y211-L289 HydrophobicContact CD2-CD2 3.82Å; Y211-L289 HydrophobicContact CE2-CD2 4.13Å; Y211-L289 HydrophobicContact CG-CD2 4.45Å; F282-L289 HydrophobicContact CB-CD1 4.14Å; F282-L289 HydrophobicContact CD2-CB 4.2Å; L289-T291 HydrophobicContact CD1-CG2 4.47Å; L289-T291 HydrophobicContact CD2-CG2 4.48Å; L289-T291 HydrophobicContact CG-CG2 4.23Å; L289-L300 WeakPolarHBondContact O-CA 3.4Å; L289-H301 HydrophobicContact CB-CB 4.3Å; L289-H301 PolarHBondContact N-O 2.77Å; L289-H301 PolarHBondContact O-N 3.11Å; L289-L303 HydrophobicContact CB-CD1 3.82Å; L289-L303 HydrophobicContact CB-CG 4.25Å; L289-L303 HydrophobicContact CD2-CD1 4.34Å; L289-F306 HydrophobicContact CD2-CE2 4.11Å |
| 290 | V | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.9 | 176.4 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | A280 F281 L288 F298 V299 L300 V322 V324 I331 | A280-V290 CarbonylContact C-O 3.55Å; A280-V290 VanDerWaalsContact CA-O 3.22Å; A280-V290 WeakPolarHBondContact CA-O 3.21Å; F281-V290 PolarHBondContact N-O 3.14Å; F281-V290 PolarHBondContact O-N 2.9Å; L288-V290 HydrophobicContact CD2-CG2 3.75Å; L288-V290 HydrophobicContact CG-CG2 4.03Å; V290-F298 HydrophobicContact CG1-CD2 4.46Å; V290-V299 WeakPolarHBondContact CA-O 3Å; V290-L300 HydrophobicContact CG1-CD1 3.97Å; V290-L300 HydrophobicContact CG2-CD1 4.32Å; V290-L300 HydrophobicContact CG2-CG 4.2Å; V290-V322 HydrophobicContact CB-CG1 3.66Å; V290-V322 HydrophobicContact CG1-CG1 3.41Å; V290-V322 VanDerWaalsContact CG1-CG1 3.41Å; V290-V324 HydrophobicContact CG2-CG2 3.75Å; V290-I331 HydrophobicContact CG1-CG2 3.99Å; V290-I331 HydrophobicContact CG2-CD1 3.89Å; V290-I331 HydrophobicContact CG2-CG2 4.45Å |
| 291 | T | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.5 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | L205 V266 A280 L289 H293 F298 V299 | L205-T291 HydrophobicContact CD2-CG2 3.72Å; V266-T291 HydrophobicContact CG1-CG2 4.14Å; V266-T291 VanDerWaalsContact CG1-OG1 3.28Å; V266-T291 WeakPolarHBondContact CG1-OG1 3.46Å; V266-T291 HydrophobicContact CG2-CG2 4.25Å; A280-T291 HydrophobicContact CB-CG2 4.06Å; L289-T291 HydrophobicContact CD1-CG2 4.47Å; L289-T291 HydrophobicContact CD2-CG2 4.48Å; L289-T291 HydrophobicContact CG-CG2 4.23Å; T291-H293 WeakPolarHBondContact CB-NE2 3.38Å; T291-H293 PolarHBondContact OG1-NE2 2.89Å; T291-F298 CarbonylContact O-C 3.52Å; T291-F298 WeakPolarHBondContact O-CA 3.4Å; T291-F298 WeakPolarHBondContact O-CB 3.46Å; T291-V299 PolarHBondContact N-O 3.44Å; T291-V299 PolarHBondContact O-N 3.4Å |
| 292 | G | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T278 S279 | T278-G292 PolarHBondContact N-O 3.34Å; T278-G292 PolarHBondContact OG1-O 3.31Å; T278-G292 VanDerWaalsContact OG1-O 3.08Å; S279-G292 PolarHBondContact N-O 3.1Å; S279-G292 PolarHBondContact O-N 2.92Å |
| 293 | H | 92.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 163 | -168.2 | -61 | -89.8 | 0 | 0 | 0 | 112.5 | F267 Y276 T291 N295 G296 C297 I319 | F267-H293 AromaticContact CD2-CE1 3.33Å; F267-H293 WeakPolarHBondContact CD2-CE1 3.49Å; F267-H293 AromaticContact CD2-ND1 3.83Å; F267-H293 AromaticContact CD2-NE2 3.9Å; F267-H293 AromaticContact CE2-CD2 3.6Å; F267-H293 AromaticContact CE2-CE1 2.99Å; F267-H293 WeakPolarHBondContact CE2-CE1 3.41Å; F267-H293 AromaticContact CE2-CG 3.86Å; F267-H293 AromaticContact CE2-ND1 3.49Å; F267-H293 WeakPolarHBondContact CE2-ND1 3.34Å; F267-H293 AromaticContact CE2-NE2 3.11Å; F267-H293 WeakPolarHBondContact CE2-NE2 3.24Å; F267-H293 AromaticContact CZ-CD2 3.93Å; F267-H293 AromaticContact CZ-CE1 3.95Å; F267-H293 AromaticContact CZ-NE2 3.91Å; Y276-H293 CarbonylContact O-C 3.59Å; Y276-H293 WeakPolarHBondContact O-CA 3.31Å; T291-H293 WeakPolarHBondContact CB-NE2 3.38Å; T291-H293 PolarHBondContact OG1-NE2 2.89Å; H293-N295 VanDerWaalsContact C-N 3.29Å; H293-N295 VanDerWaalsContact CB-OD1 3.28Å; H293-N295 WeakPolarHBondContact CB-OD1 3.5Å; H293-N295 PolarHBondContact O-N 3.32Å; H293-G296 PolarHBondContact O-N 3.14Å; H293-G296 VanDerWaalsContact O-N 3.15Å; H293-C297 HydrophobicContact CB-CB 4.39Å; H293-C297 WeakPolarHBondContact CB-O 3.46Å; H293-C297 PolarHBondContact CD2-O 3.37Å; H293-C297 VanDerWaalsContact CD2-O 3.25Å; H293-C297 PolarHBondContact N-O 3.47Å; H293-I319 PolarHBondContact O-N 3.17Å |
| 294 | S | 90.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28.6 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | Y276 G296 F317 P318 | Y276-S294 PolarHBondContact N-OG 3.21Å; Y276-S294 VanDerWaalsContact N-OG 3.14Å; Y276-S294 PolarHBondContact O-N 3.34Å; S294-G296 VanDerWaalsContact C-N 3.28Å; S294-G296 PolarHBondContact O-N 3.23Å; S294-F317 CarbonylContact O-C 3.56Å; S294-P318 VanDerWaalsContact O-CA 3.31Å; S294-P318 WeakPolarHBondContact O-CA 3.31Å |
| 295 | N | 88.3 | Confident | 91.2 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.3 | 175.5 | 65.4 | -6 | 0 | 0 | 0 | 113.9 | T275 H293 C297 | T275-N295 HydrophobicContact CG2-CB 3.99Å; T275-N295 WeakPolarHBondContact CG2-ND2 3.44Å; H293-N295 VanDerWaalsContact C-N 3.29Å; H293-N295 VanDerWaalsContact CB-OD1 3.28Å; H293-N295 WeakPolarHBondContact CB-OD1 3.5Å; H293-N295 PolarHBondContact O-N 3.32Å; N295-C297 VanDerWaalsContact C-N 3.35Å; N295-C297 VanDerWaalsContact OD1-CB 3.25Å; N295-C297 WeakPolarHBondContact OD1-CB 3.11Å; N295-C297 PolarHBondContact OD1-N 2.67Å |
| 296 | G | 88.4 | Confident | 91.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 79.8 | 11.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H293 S294 I314 S315 F317 | H293-G296 PolarHBondContact O-N 3.14Å; H293-G296 VanDerWaalsContact O-N 3.15Å; S294-G296 VanDerWaalsContact C-N 3.28Å; S294-G296 PolarHBondContact O-N 3.23Å; G296-I314 PolarHBondContact O-N 3.12Å; G296-S315 CarbonylContact C-O 3.47Å; G296-S315 WeakPolarHBondContact CA-O 3.3Å; G296-F317 WeakPolarHBondContact CA-O 3.47Å; G296-F317 PolarHBondContact N-O 3.45Å |
| 297 | C | 92.2 | Very high | 91.4 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.054 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 147.9 | 164.2 | -172.5 | 0 | 0 | 0 | 0 | 111 | H293 N295 S311 L312 I319 | H293-C297 HydrophobicContact CB-CB 4.39Å; H293-C297 WeakPolarHBondContact CB-O 3.46Å; H293-C297 PolarHBondContact CD2-O 3.37Å; H293-C297 VanDerWaalsContact CD2-O 3.25Å; H293-C297 PolarHBondContact N-O 3.47Å; N295-C297 VanDerWaalsContact C-N 3.35Å; N295-C297 VanDerWaalsContact OD1-CB 3.25Å; N295-C297 WeakPolarHBondContact OD1-CB 3.11Å; N295-C297 PolarHBondContact OD1-N 2.67Å; C297-S311 PolarHBondContact SG-OG 3.3Å; C297-S311 VanDerWaalsContact SG-OG 3.41Å; C297-L312 CarbonylContact C-O 3.57Å; C297-L312 VanDerWaalsContact CA-O 3.32Å; C297-L312 WeakPolarHBondContact CA-O 3.39Å; C297-L312 PolarHBondContact SG-O 3.34Å; C297-L312 VanDerWaalsContact SG-O 3.35Å; C297-I319 VanDerWaalsContact O-CD1 3.3Å; C297-I319 WeakPolarHBondContact O-CD1 3.39Å |
| 298 | F | 93.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.2 | 164.1 | 75 | -78.3 | 0 | 0 | 0 | 110.7 | V290 T291 L300 L312 I314 I319 L333 W344 | V290-F298 HydrophobicContact CG1-CD2 4.46Å; T291-F298 CarbonylContact O-C 3.52Å; T291-F298 WeakPolarHBondContact O-CA 3.4Å; T291-F298 WeakPolarHBondContact O-CB 3.46Å; F298-L300 HydrophobicContact CD2-CD1 3.58Å; F298-L300 HydrophobicContact CE2-CD1 3.53Å; F298-L312 HydrophobicContact CD1-CB 4.11Å; F298-L312 VanDerWaalsContact CD1-O 3.32Å; F298-L312 WeakPolarHBondContact CD1-O 3.46Å; F298-L312 HydrophobicContact CE1-CB 3.49Å; F298-L312 VanDerWaalsContact CE1-CB 3.49Å; F298-L312 HydrophobicContact CE1-CD1 4.23Å; F298-L312 HydrophobicContact CE1-CG 4.48Å; F298-L312 HydrophobicContact CZ-CB 3.81Å; F298-L312 HydrophobicContact CZ-CD1 3.75Å; F298-L312 HydrophobicContact CZ-CG 4.35Å; F298-L312 PolarHBondContact N-O 2.94Å; F298-L312 PolarHBondContact O-N 2.77Å; F298-I314 HydrophobicContact CD1-CD1 3.26Å; F298-I314 HydrophobicContact CD1-CG1 3.73Å; F298-I314 HydrophobicContact CE1-CD1 3.51Å; F298-I314 HydrophobicContact CE1-CG1 3.66Å; F298-I314 HydrophobicContact CG-CD1 4.21Å; F298-I319 HydrophobicContact CB-CD1 3.73Å; F298-L333 HydrophobicContact CB-CD1 4.21Å; F298-L333 HydrophobicContact CD1-CD1 3.74Å; F298-L333 HydrophobicContact CD2-CD1 3.86Å; F298-L333 HydrophobicContact CE1-CD1 3.96Å; F298-L333 HydrophobicContact CE2-CD1 4.09Å; F298-L333 HydrophobicContact CG-CD1 3.66Å; F298-L333 HydrophobicContact CZ-CD1 4.12Å; F298-W344 HydrophobicContact CE2-CD2 4.4Å; F298-W344 AromaticContact CE2-CE3 3.62Å; F298-W344 HydrophobicContact CE2-CE3 3.62Å; F298-W344 HydrophobicContact CE2-CH2 4.43Å; F298-W344 AromaticContact CE2-CZ3 3.62Å; F298-W344 HydrophobicContact CE2-CZ3 3.62Å; F298-W344 HydrophobicContact CZ-CD2 4.08Å; F298-W344 AromaticContact CZ-CE3 3.75Å; F298-W344 HydrophobicContact CZ-CE3 3.75Å; F298-W344 HydrophobicContact CZ-CH2 4.48Å; F298-W344 AromaticContact CZ-CZ3 3.95Å; F298-W344 HydrophobicContact CZ-CZ3 3.95Å |
| 299 | V | 93.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.1 | -175.1 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | V266 F267 V290 T291 H301 L308 H310 | V266-V299 HydrophobicContact CG1-CB 4.42Å; F267-V299 HydrophobicContact CD2-CG2 4.48Å; F267-V299 HydrophobicContact CE1-CG2 4.39Å; F267-V299 HydrophobicContact CE2-CB 4.22Å; F267-V299 HydrophobicContact CE2-CG2 3.27Å; F267-V299 HydrophobicContact CZ-CG2 3.25Å; V290-V299 WeakPolarHBondContact CA-O 3Å; T291-V299 PolarHBondContact N-O 3.44Å; T291-V299 PolarHBondContact O-N 3.4Å; V299-H301 WeakPolarHBondContact CG1-CE1 3.14Å; V299-L308 HydrophobicContact CG1-CD1 3.2Å; V299-H310 WeakPolarHBondContact CA-O 3.26Å; V299-H310 WeakPolarHBondContact CG1-O 3.19Å |
| 300 | L | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.6 | 175.6 | -90.9 | 68 | 0 | 0 | 0 | 110 | L288 L289 V290 F298 I309 H310 I331 W344 W346 | L288-L300 HydrophobicContact CD1-CB 4.46Å; L288-L300 HydrophobicContact CD1-CD2 4.05Å; L288-L300 HydrophobicContact CD1-CG 4.21Å; L288-L300 HydrophobicContact CD2-CD2 4.38Å; L289-L300 WeakPolarHBondContact O-CA 3.4Å; V290-L300 HydrophobicContact CG1-CD1 3.97Å; V290-L300 HydrophobicContact CG2-CD1 4.32Å; V290-L300 HydrophobicContact CG2-CG 4.2Å; F298-L300 HydrophobicContact CD2-CD1 3.58Å; F298-L300 HydrophobicContact CE2-CD1 3.53Å; L300-I309 HydrophobicContact CB-CB 4.04Å; L300-I309 HydrophobicContact CB-CD1 4.48Å; L300-I309 PolarHBondContact O-N 3.38Å; L300-H310 PolarHBondContact N-O 2.96Å; L300-I331 HydrophobicContact CD1-CD1 3.74Å; L300-I331 HydrophobicContact CD2-CD1 3.65Å; L300-I331 HydrophobicContact CG-CD1 3.91Å; L300-W344 HydrophobicContact CD1-CZ3 3.91Å; L300-W344 HydrophobicContact CD2-CH2 4.42Å; L300-W344 HydrophobicContact CD2-CZ3 3.75Å; L300-W344 HydrophobicContact CG-CZ3 4.5Å; L300-W346 HydrophobicContact CD2-CB 3.6Å; L300-W346 HydrophobicContact CD2-CD2 4.19Å; L300-W346 HydrophobicContact CD2-CE3 4.46Å; L300-W346 HydrophobicContact CD2-CG 3.85Å |
| 301 | H | 93.6 | Very high | 91.1 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.5 | 172 | -67.3 | 88.3 | 0 | 0 | 0 | 111.5 | L289 V299 F306 L307 | L289-H301 HydrophobicContact CB-CB 4.3Å; L289-H301 PolarHBondContact N-O 2.77Å; L289-H301 PolarHBondContact O-N 3.11Å; V299-H301 WeakPolarHBondContact CG1-CE1 3.14Å; H301-F306 AromaticContact CD2-CD1 3.81Å; H301-F306 AromaticContact CD2-CE1 3.59Å; H301-F306 AromaticContact CD2-CZ 3.95Å; H301-F306 AromaticContact NE2-CE1 3.59Å; H301-L307 CarbonylContact C-O 3.57Å; H301-L307 WeakPolarHBondContact CA-O 3.07Å |
| 302 | E | 93 | Very high | 90.9 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 45% | 0.453 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.4 | 168.2 | -168.4 | 176.9 | 174.4 | 0 | 0 | 110.1 | F306 L307 I309 | E302-F306 CarbonylContact O-C 3.58Å; E302-F306 WeakPolarHBondContact O-CA 3.26Å; E302-F306 PolarHBondContact O-N 3.21Å; E302-L307 HydrophobicContact CB-CB 4.29Å; E302-L307 PolarHBondContact N-O 2.89Å; E302-L307 PolarHBondContact O-N 2.95Å; E302-I309 HydrophobicContact CB-CD1 4.08Å; E302-I309 HydrophobicContact CB-CG1 4.23Å |
| 303 | L | 88.6 | Confident | 90.8 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 150.2 | 175.7 | -68.4 | 175.6 | 0 | 0 | 0 | 110.2 | Y211 F282 K287 L289 F306 | Y211-L303 HydrophobicContact CD1-CD2 4.49Å; Y211-L303 HydrophobicContact CE1-CD2 3.73Å; Y211-L303 HydrophobicContact CE2-CD1 3.9Å; Y211-L303 HydrophobicContact CE2-CD2 4.42Å; Y211-L303 VanDerWaalsContact OH-CD1 3.31Å; Y211-L303 WeakPolarHBondContact OH-CD1 3.39Å; F282-L303 HydrophobicContact CD2-CD1 3.58Å; F282-L303 HydrophobicContact CE2-CB 4.09Å; F282-L303 HydrophobicContact CE2-CD1 3.36Å; F282-L303 HydrophobicContact CE2-CG 4.22Å; F282-L303 HydrophobicContact CZ-CD1 4.21Å; K287-L303 HydrophobicContact CB-CB 4.43Å; K287-L303 WeakPolarHBondContact CB-O 3.48Å; K287-L303 VanDerWaalsContact CD-O 3.26Å; K287-L303 WeakPolarHBondContact CD-O 3.47Å; K287-L303 PolarHBondContact O-N 2.86Å; L289-L303 HydrophobicContact CB-CD1 3.82Å; L289-L303 HydrophobicContact CB-CG 4.25Å; L289-L303 HydrophobicContact CD2-CD1 4.34Å; L303-F306 HydrophobicContact CD2-CB 4.41Å; L303-F306 HydrophobicContact CD2-CD2 3.67Å; L303-F306 HydrophobicContact CD2-CE2 4.47Å |
| 304 | P | 83.3 | Confident | 90.6 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -89.1 | -7.6 | 11 | 35.5 | -36.1 | 0 | 0 | 0 | 115.4 | F306 | P304-F306 PolarHBondContact O-N 2.89Š|
| 305 | E | 84.8 | Confident | 90.3 | Very high | 145 Ų | 145 | 45.3 Ų | 45.3 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13 | -173.8 | -66.7 | 178.8 | -172.1 | 0 | 0 | 113.7 | L307 | E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 HydrophobicContact CB-CD1 4.28Å; E305-L307 HydrophobicContact CB-CG 3.89Å; E305-L307 WeakPolarHBondContact OE2-CD1 3.31Å |
| 306 | F | 88.7 | Confident | 90.2 | Very high | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 42.4 | -177.5 | -153.9 | -92.9 | 0 | 0 | 0 | 111.8 | Y211 H264 V266 L289 H301 E302 L303 P304 | Y211-F306 AromaticContact CD1-CD2 3.66Å; Y211-F306 HydrophobicContact CD1-CD2 3.66Å; Y211-F306 AromaticContact CD1-CE2 3.61Å; Y211-F306 HydrophobicContact CD1-CE2 3.61Å; Y211-F306 HydrophobicContact CD2-CE2 4.36Å; Y211-F306 HydrophobicContact CE1-CD2 4.13Å; Y211-F306 HydrophobicContact CE1-CE2 4.41Å; Y211-F306 HydrophobicContact CG-CD2 4.13Å; Y211-F306 AromaticContact CG-CE2 3.59Å; Y211-F306 HydrophobicContact CG-CE2 3.59Å; H264-F306 HydrophobicContact CB-CB 4.4Å; H264-F306 HydrophobicContact CB-CD1 3.49Å; H264-F306 VanDerWaalsContact CB-CD1 3.49Å; H264-F306 HydrophobicContact CB-CD2 3.78Å; H264-F306 HydrophobicContact CB-CE1 3.56Å; H264-F306 HydrophobicContact CB-CE2 3.87Å; H264-F306 HydrophobicContact CB-CG 3.61Å; H264-F306 HydrophobicContact CB-CZ 3.75Å; H264-F306 AromaticContact CG-CD1 3.83Å; H264-F306 AromaticContact CG-CD2 3.99Å; H264-F306 AromaticContact CG-CG 3.61Å; H264-F306 AromaticContact ND1-CG 3.95Å; V266-F306 HydrophobicContact CB-CZ 4.48Å; V266-F306 HydrophobicContact CG2-CZ 3.88Å; L289-F306 HydrophobicContact CD2-CE2 4.11Å; H301-F306 AromaticContact CD2-CD1 3.81Å; H301-F306 AromaticContact CD2-CE1 3.59Å; H301-F306 AromaticContact CD2-CZ 3.95Å; H301-F306 AromaticContact NE2-CE1 3.59Å; E302-F306 CarbonylContact O-C 3.58Å; E302-F306 WeakPolarHBondContact O-CA 3.26Å; E302-F306 PolarHBondContact O-N 3.21Å; L303-F306 HydrophobicContact CD2-CB 4.41Å; L303-F306 HydrophobicContact CD2-CD2 3.67Å; L303-F306 HydrophobicContact CD2-CE2 4.47Å; P304-F306 PolarHBondContact O-N 2.89Å |
| 307 | L | 92.4 | Very high | 90.1 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 44% | 0.44 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.5 | 177.2 | -63.5 | 174.5 | 0 | 0 | 0 | 109.8 | H301 E302 E305 I309 | H301-L307 CarbonylContact C-O 3.57Å; H301-L307 WeakPolarHBondContact CA-O 3.07Å; E302-L307 HydrophobicContact CB-CB 4.29Å; E302-L307 PolarHBondContact N-O 2.89Å; E302-L307 PolarHBondContact O-N 2.95Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 HydrophobicContact CB-CD1 4.28Å; E305-L307 HydrophobicContact CB-CG 3.89Å; E305-L307 WeakPolarHBondContact OE2-CD1 3.31Å; L307-I309 PolarHBondContact O-N 2.94Å |
| 308 | L | 92.3 | Very high | 90 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 56% | 0.555 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120 | 171.1 | 175.4 | 65.7 | 0 | 0 | 0 | 109.5 | V299 | V299-L308 HydrophobicContact CG1-CD1 3.2Å |
| 309 | I | 92.2 | Very high | 90 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -58.5 | 174.4 | -49.7 | 179.1 | 0 | 0 | 0 | 109.3 | L288 L300 E302 L307 W346 | L288-I309 HydrophobicContact CD1-CD1 3.57Å; L300-I309 HydrophobicContact CB-CB 4.04Å; L300-I309 HydrophobicContact CB-CD1 4.48Å; L300-I309 PolarHBondContact O-N 3.38Å; E302-I309 HydrophobicContact CB-CD1 4.08Å; E302-I309 HydrophobicContact CB-CG1 4.23Å; L307-I309 PolarHBondContact O-N 2.94Å; I309-W346 HydrophobicContact CD1-CZ3 4.36Å; I309-W346 HydrophobicContact CG2-CE3 4.29Å; I309-W346 HydrophobicContact CG2-CZ3 4.25Å |
| 310 | H | 91 | Very high | 90 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.3 | -178.1 | -70.3 | -63 | 0 | 0 | 0 | 111.8 | V299 L300 W344 E349 | V299-H310 WeakPolarHBondContact CA-O 3.26Å; V299-H310 WeakPolarHBondContact CG1-O 3.19Å; L300-H310 PolarHBondContact N-O 2.96Å; H310-W344 HydrophobicContact CB-CH2 4.25Å; H310-W344 AromaticContact CD2-CH2 3.72Å; H310-E349 IonicContact CE1-OE1 2.73Å; H310-E349 PolarHBondContact CE1-OE1 2.84Å; H310-E349 IonicContact NE2-OE1 3.19Å |
| 311 | S | 91.6 | Very high | 90 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.3 | 165.7 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | C297 | C297-S311 PolarHBondContact SG-OG 3.3Å; C297-S311 VanDerWaalsContact SG-OG 3.41Å |
| 312 | L | 91.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.5 | -173.5 | -68.2 | 172.6 | 0 | 0 | 0 | 110.4 | C297 F298 W344 | C297-L312 CarbonylContact C-O 3.57Å; C297-L312 VanDerWaalsContact CA-O 3.32Å; C297-L312 WeakPolarHBondContact CA-O 3.39Å; C297-L312 PolarHBondContact SG-O 3.34Å; C297-L312 VanDerWaalsContact SG-O 3.35Å; F298-L312 HydrophobicContact CD1-CB 4.11Å; F298-L312 VanDerWaalsContact CD1-O 3.32Å; F298-L312 WeakPolarHBondContact CD1-O 3.46Å; F298-L312 HydrophobicContact CE1-CB 3.49Å; F298-L312 VanDerWaalsContact CE1-CB 3.49Å; F298-L312 HydrophobicContact CE1-CD1 4.23Å; F298-L312 HydrophobicContact CE1-CG 4.48Å; F298-L312 HydrophobicContact CZ-CB 3.81Å; F298-L312 HydrophobicContact CZ-CD1 3.75Å; F298-L312 HydrophobicContact CZ-CG 4.35Å; F298-L312 PolarHBondContact N-O 2.94Å; F298-L312 PolarHBondContact O-N 2.77Å; L312-W344 HydrophobicContact CD1-CH2 3.83Å; L312-W344 HydrophobicContact CD1-CZ2 3.56Å |
| 313 | S | 90.7 | Very high | 90.2 | Very high | 85 Ų | 85 | 54.8 Ų | 54.8 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.9 | 173 | -179.1 | 0 | 0 | 0 | 0 | 111 | S315 | S313-S315 PolarHBondContact OG-O 3.49Å |
| 314 | I | 87.8 | Confident | 90.5 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | trans | -96.1 | -39.8 | -179.7 | -66.6 | 155.1 | 0 | 0 | 0 | 111.2 | G296 F298 I319 L333 L342 | G296-I314 PolarHBondContact O-N 3.12Å; F298-I314 HydrophobicContact CD1-CD1 3.26Å; F298-I314 HydrophobicContact CD1-CG1 3.73Å; F298-I314 HydrophobicContact CE1-CD1 3.51Å; F298-I314 HydrophobicContact CE1-CG1 3.66Å; F298-I314 HydrophobicContact CG-CD1 4.21Å; I314-I319 HydrophobicContact CD1-CD1 3.89Å; I314-L333 HydrophobicContact CD1-CB 4.32Å; I314-L333 HydrophobicContact CD1-CD1 3.36Å; I314-L333 HydrophobicContact CD1-CG 4.43Å; I314-L342 HydrophobicContact CB-CD2 4.3Å; I314-L342 HydrophobicContact CD1-CD2 3.69Å; I314-L342 HydrophobicContact CG1-CD2 3.81Å; I314-L342 HydrophobicContact CG2-CD2 3.46Å; I314-L342 VanDerWaalsContact CG2-CD2 3.46Å | ||
| 315 | S | 84.4 | Confident | 91 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | trans | -158.2 | 172.9 | -172.2 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | G296 S313 F317 L338 | G296-S315 CarbonylContact C-O 3.47Å; G296-S315 WeakPolarHBondContact CA-O 3.3Å; S313-S315 PolarHBondContact OG-O 3.49Å; S315-F317 VanDerWaalsContact C-N 3.27Å; S315-F317 PolarHBondContact OG-O 3.27Å; S315-L338 VanDerWaalsContact CB-CD1 3.43Å | ||
| 316 | E | 85.8 | Confident | 91.2 | Very high | 176 Ų | 176 | 46.6 Ų | 46.6 | 82% | 0.822 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -89 | 6.3 | 173.5 | -61 | 172 | -178.7 | 0 | 0 | 112.6 | ||
| 317 | F | 87.2 | Confident | 91.3 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -114.9 | 155 | -173.4 | -65.7 | -66.4 | 0 | 0 | 0 | 111.8 | S294 G296 S315 R337 L338 | S294-F317 CarbonylContact O-C 3.56Å; G296-F317 WeakPolarHBondContact CA-O 3.47Å; G296-F317 PolarHBondContact N-O 3.45Å; S315-F317 VanDerWaalsContact C-N 3.27Å; S315-F317 PolarHBondContact OG-O 3.27Å; F317-R337 HydrophobicContact CD1-CB 4.49Å; F317-R337 VanDerWaalsContact CD1-CD 3.47Å; F317-R337 HydrophobicContact CD1-CG 4.21Å; F317-R337 HydrophobicContact CE1-CG 4.38Å; F317-L338 HydrophobicContact CB-CG 4.41Å; F317-L338 HydrophobicContact CD2-CD1 3.71Å; F317-L338 HydrophobicContact CD2-CD2 3.52Å; F317-L338 HydrophobicContact CD2-CG 3.39Å; F317-L338 HydrophobicContact CE2-CD1 4.43Å; F317-L338 HydrophobicContact CE2-CD2 3.5Å; F317-L338 HydrophobicContact CE2-CG 3.96Å; F317-L338 HydrophobicContact CG-CG 4.2Å |
| 318 | P | 90.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | trans | -61.1 | 144.2 | -175 | 23.6 | -35.6 | 0 | 0 | 0 | 112.9 | T278 S294 N320 S335 | T278-P318 HydrophobicContact CG2-CB 4.02Å; S294-P318 VanDerWaalsContact O-CA 3.31Å; S294-P318 WeakPolarHBondContact O-CA 3.31Å; P318-N320 PolarHBondContact O-OD1 3.45Å; P318-S335 PolarHBondContact O-OG 3.44Å | ||
| 319 | I | 93.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | trans | -89.9 | 107 | 170.9 | -56.2 | 179.5 | 0 | 0 | 0 | 108.7 | T278 S279 H293 C297 F298 I314 V322 L333 | T278-I319 VanDerWaalsContact CB-O 3.29Å; T278-I319 WeakPolarHBondContact CB-O 3.46Å; T278-I319 PolarHBondContact OG1-O 3.01Å; S279-I319 PolarHBondContact OG-O 2.62Å; H293-I319 PolarHBondContact O-N 3.17Å; C297-I319 VanDerWaalsContact O-CD1 3.3Å; C297-I319 WeakPolarHBondContact O-CD1 3.39Å; F298-I319 HydrophobicContact CB-CD1 3.73Å; I314-I319 HydrophobicContact CD1-CD1 3.89Å; I319-V322 HydrophobicContact CG2-CG2 3.86Å; I319-L333 HydrophobicContact CG2-CB 4.38Å; I319-L333 HydrophobicContact CG2-CD2 4.22Å | ||
| 320 | N | 92.7 | Very high | 91.4 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | trans | -81.3 | -28.1 | -173.5 | -63.3 | 102.7 | 0 | 0 | 0 | 113.6 | Y15 S279 P318 G334 S336 | Y15-N320 HydrophobicContact CE1-CB 4.32Å; Y15-N320 WeakPolarHBondContact OH-CB 3.25Å; S279-N320 WeakPolarHBondContact CB-O 3.38Å; P318-N320 PolarHBondContact O-OD1 3.45Å; N320-G334 PolarHBondContact N-O 3.43Å; N320-S336 VanDerWaalsContact CG-OG 3.32Å; N320-S336 VanDerWaalsContact OD1-CB 3.27Å; N320-S336 WeakPolarHBondContact OD1-CB 3.43Å; N320-S336 PolarHBondContact OD1-N 2.93Å; N320-S336 PolarHBondContact OD1-OG 3.06Å | ||
| 321 | S | 94.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 139.8 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | Y15 L20 L333 G334 | Y15-S321 WeakPolarHBondContact OH-CB 3.21Å; L20-S321 PolarHBondContact N-OG 3.46Å; S321-L333 WeakPolarHBondContact O-CA 3.31Å; S321-G334 PolarHBondContact N-O 2.85Å; S321-G334 PolarHBondContact O-N 3.19Å |
| 322 | V | 95.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.2 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 107.9 | S279 F281 V290 I319 I331 A332 L333 | S279-V322 WeakPolarHBondContact OG-CG2 3.27Å; F281-V322 HydrophobicContact CB-CG1 4.03Å; F281-V322 WeakPolarHBondContact CB-O 3.32Å; V290-V322 HydrophobicContact CB-CG1 3.66Å; V290-V322 HydrophobicContact CG1-CG1 3.41Å; V290-V322 VanDerWaalsContact CG1-CG1 3.41Å; I319-V322 HydrophobicContact CG2-CG2 3.86Å; V322-I331 HydrophobicContact CG1-CG2 4.46Å; V322-A332 WeakPolarHBondContact CA-O 3.27Å; V322-L333 HydrophobicContact CB-CD2 3.89Å; V322-L333 HydrophobicContact CG1-CD2 3.76Å; V322-L333 HydrophobicContact CG2-CD2 3.38Å |
| 323 | V | 95.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 146.7 | 175.4 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | L20 F22 F281 I331 A332 | L20-V323 HydrophobicContact CB-CG2 3.7Å; L20-V323 VanDerWaalsContact O-CG2 3.26Å; L20-V323 WeakPolarHBondContact O-CG2 3.48Å; F22-V323 HydrophobicContact CD2-CB 4.22Å; F22-V323 HydrophobicContact CD2-CG1 3.92Å; F22-V323 HydrophobicContact CE2-CB 4.49Å; F281-V323 HydrophobicContact CD2-CG1 4.3Å; F281-V323 HydrophobicContact CE2-CG1 4.01Å; F281-V323 HydrophobicContact CZ-CG1 4.32Å; V323-I331 CarbonylContact O-C 3.53Å; V323-I331 WeakPolarHBondContact O-CA 3.46Å; V323-A332 PolarHBondContact N-O 2.85Å; V323-A332 PolarHBondContact O-N 3.24Å |
| 324 | V | 94.7 | Very high | 92.3 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.7 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 109 | F281 H283 L288 V290 W330 I331 | F281-V324 HydrophobicContact CD1-CB 3.82Å; F281-V324 HydrophobicContact CD1-CG2 3.64Å; F281-V324 HydrophobicContact CE1-CB 3.79Å; F281-V324 HydrophobicContact CE1-CG2 4.15Å; H283-V324 HydrophobicContact CB-CB 4.16Å; H283-V324 HydrophobicContact CB-CG1 4.12Å; H283-V324 HydrophobicContact CB-CG2 4.5Å; L288-V324 HydrophobicContact CD2-CG2 4.34Å; V290-V324 HydrophobicContact CG2-CG2 3.75Å; V324-W330 WeakPolarHBondContact CA-O 3.24Å; V324-I331 HydrophobicContact CG2-CG1 4.3Å |
| 325 | N | 94.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | -67.4 | 168.7 | 176.4 | 76.2 | -20.2 | 0 | 0 | 0 | 111.9 | F22 T327 G328 E329 W330 | F22-N325 HydrophobicContact CB-CB 4.41Å; F22-N325 HydrophobicContact CD1-CB 3.71Å; F22-N325 HydrophobicContact CD2-CB 3.98Å; F22-N325 HydrophobicContact CE1-CB 3.81Å; F22-N325 HydrophobicContact CE2-CB 4.08Å; F22-N325 HydrophobicContact CG-CB 3.79Å; F22-N325 HydrophobicContact CZ-CB 3.99Å; N325-T327 PolarHBondContact ND2-OG1 2.77Å; N325-T327 PolarHBondContact O-N 3.27Å; N325-T327 PolarHBondContact OD1-OG1 3.04Å; N325-G328 PolarHBondContact O-N 3.08Å; N325-G328 VanDerWaalsContact O-N 3.12Å; N325-G328 WeakPolarHBondContact OD1-CA 3.37Å; N325-G328 PolarHBondContact OD1-N 3.39Å; N325-E329 PolarHBondContact OD1-N 3.32Å; N325-W330 HydrophobicContact CB-CB 4.23Å; N325-W330 PolarHBondContact N-O 3.3Å; N325-W330 PolarHBondContact OD1-N 2.92Å; N325-W330 PolarHBondContact OD1-O 2.63Å | ||
| 326 | S | 89.7 | Confident | 92.7 | Very high | 60 Ų | 60 | 32.2 Ų | 32.2 | 42% | 0.42 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.4 | -177.9 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | S24 H283 | S24-S326 PolarHBondContact O-OG 3.03Å; H283-S326 PolarHBondContact NE2-O 3.4Å |
| 327 | T | 90.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 47% | 0.466 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -20.4 | 177.1 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | N325 E329 | N325-T327 PolarHBondContact ND2-OG1 2.77Å; N325-T327 PolarHBondContact O-N 3.27Å; N325-T327 PolarHBondContact OD1-OG1 3.04Å; T327-E329 WeakPolarHBondContact CB-OE2 3.4Å; T327-E329 VanDerWaalsContact OG1-CD 3.31Å; T327-E329 WeakPolarHBondContact OG1-CG 3.42Å; T327-E329 PolarHBondContact OG1-OE2 2.79Å |
| 328 | G | 91.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 85.3 | 4.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | N325 W346 | N325-G328 PolarHBondContact O-N 3.08Å; N325-G328 VanDerWaalsContact O-N 3.12Å; N325-G328 WeakPolarHBondContact OD1-CA 3.37Å; N325-G328 PolarHBondContact OD1-N 3.39Å; G328-W346 PolarHBondContact O-NE1 2.84Å |
| 329 | E | 92.4 | Very high | 92.5 | Very high | 84 Ų | 84 | 25.8 Ų | 25.8 | 39% | 0.393 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -87.6 | -33.5 | -174.5 | -65.4 | 164 | 157.2 | 0 | 0 | 112.5 | N325 T327 W346 | N325-E329 PolarHBondContact OD1-N 3.32Å; T327-E329 WeakPolarHBondContact CB-OE2 3.4Å; T327-E329 VanDerWaalsContact OG1-CD 3.31Å; T327-E329 WeakPolarHBondContact OG1-CG 3.42Å; T327-E329 PolarHBondContact OG1-OE2 2.79Å; E329-W346 VanDerWaalsContact O-CD1 3.26Å |
| 330 | W | 95 | Very high | 92.5 | Very high | 38 Ų | 38 | 26.2 Ų | 26.2 | 14% | 0.144 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.8 | -172.8 | -62.8 | -13.5 | 0 | 0 | 0 | 112.3 | F22 L42 V324 N325 V343 W344 V352 | F22-W330 HydrophobicContact CE1-CE3 4.42Å; F22-W330 HydrophobicContact CZ-CB 4.2Å; L42-W330 HydrophobicContact CB-CH2 4.25Å; L42-W330 HydrophobicContact CB-CZ3 3.81Å; L42-W330 HydrophobicContact CD1-CD2 4.47Å; L42-W330 HydrophobicContact CD1-CE3 3.43Å; L42-W330 VanDerWaalsContact CD1-CE3 3.43Å; L42-W330 HydrophobicContact CD1-CH2 4.48Å; L42-W330 HydrophobicContact CD1-CZ3 3.43Å; L42-W330 VanDerWaalsContact CD1-CZ3 3.43Å; L42-W330 HydrophobicContact CG-CZ3 4.24Å; V324-W330 WeakPolarHBondContact CA-O 3.24Å; N325-W330 HydrophobicContact CB-CB 4.23Å; N325-W330 PolarHBondContact N-O 3.3Å; N325-W330 PolarHBondContact OD1-N 2.92Å; N325-W330 PolarHBondContact OD1-O 2.63Å; W330-V343 HydrophobicContact CB-CG1 3.85Å; W330-V343 HydrophobicContact CG-CG1 4.24Å; W330-W344 WeakPolarHBondContact CA-O 3.44Å; W330-V352 HydrophobicContact CD2-CG2 4.49Å; W330-V352 HydrophobicContact CG-CG2 4.5Å; W330-V352 HydrophobicContact CZ2-CG1 4.46Å |
| 331 | I | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.8 | -178.8 | -53.1 | -179.5 | 0 | 0 | 0 | 108.3 | L288 V290 L300 V322 V323 V324 L333 V343 W344 W346 | L288-I331 HydrophobicContact CD2-CD1 4.02Å; V290-I331 HydrophobicContact CG1-CG2 3.99Å; V290-I331 HydrophobicContact CG2-CD1 3.89Å; V290-I331 HydrophobicContact CG2-CG2 4.45Å; L300-I331 HydrophobicContact CD1-CD1 3.74Å; L300-I331 HydrophobicContact CD2-CD1 3.65Å; L300-I331 HydrophobicContact CG-CD1 3.91Å; V322-I331 HydrophobicContact CG1-CG2 4.46Å; V323-I331 CarbonylContact O-C 3.53Å; V323-I331 WeakPolarHBondContact O-CA 3.46Å; V324-I331 HydrophobicContact CG2-CG1 4.3Å; I331-L333 HydrophobicContact CG2-CD1 4.48Å; I331-L333 HydrophobicContact CG2-CD2 3.98Å; I331-L333 HydrophobicContact CG2-CG 4.08Å; I331-V343 CarbonylContact O-C 3.46Å; I331-V343 VanDerWaalsContact O-CA 3.29Å; I331-V343 WeakPolarHBondContact O-CA 3.38Å; I331-W344 HydrophobicContact CD1-CE3 4.06Å; I331-W344 HydrophobicContact CD1-CZ3 4.23Å; I331-W344 PolarHBondContact N-O 3.48Å; I331-W344 PolarHBondContact O-N 3.4Å; I331-W346 HydrophobicContact CD1-CB 4.08Å; I331-W346 HydrophobicContact CD1-CG 4.27Å |
| 332 | A | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L20 F22 V29 V322 V323 L342 V343 | L20-A332 HydrophobicContact CD1-CB 4.19Å; F22-A332 HydrophobicContact CD2-CB 4.42Å; F22-A332 HydrophobicContact CE2-CB 3.46Å; F22-A332 VanDerWaalsContact CE2-CB 3.46Å; F22-A332 HydrophobicContact CZ-CB 3.71Å; V29-A332 HydrophobicContact CG1-CB 4.45Å; V29-A332 HydrophobicContact CG2-CB 4.45Å; V322-A332 WeakPolarHBondContact CA-O 3.27Å; V323-A332 PolarHBondContact N-O 2.85Å; V323-A332 PolarHBondContact O-N 3.24Å; A332-L342 CarbonylContact C-O 3.53Å; A332-L342 VanDerWaalsContact CA-O 3.29Å; A332-L342 WeakPolarHBondContact CA-O 3.42Å; A332-V343 HydrophobicContact CB-CG2 4.32Å |
| 333 | L | 96 | Very high | 92.7 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.1 | -179.6 | -56.5 | 171.2 | 0 | 0 | 0 | 109.8 | F298 I314 I319 S321 V322 I331 L341 L342 | F298-L333 HydrophobicContact CB-CD1 4.21Å; F298-L333 HydrophobicContact CD1-CD1 3.74Å; F298-L333 HydrophobicContact CD2-CD1 3.86Å; F298-L333 HydrophobicContact CE1-CD1 3.96Å; F298-L333 HydrophobicContact CE2-CD1 4.09Å; F298-L333 HydrophobicContact CG-CD1 3.66Å; F298-L333 HydrophobicContact CZ-CD1 4.12Å; I314-L333 HydrophobicContact CD1-CB 4.32Å; I314-L333 HydrophobicContact CD1-CD1 3.36Å; I314-L333 HydrophobicContact CD1-CG 4.43Å; I319-L333 HydrophobicContact CG2-CB 4.38Å; I319-L333 HydrophobicContact CG2-CD2 4.22Å; S321-L333 WeakPolarHBondContact O-CA 3.31Å; V322-L333 HydrophobicContact CB-CD2 3.89Å; V322-L333 HydrophobicContact CG1-CD2 3.76Å; V322-L333 HydrophobicContact CG2-CD2 3.38Å; I331-L333 HydrophobicContact CG2-CD1 4.48Å; I331-L333 HydrophobicContact CG2-CD2 3.98Å; I331-L333 HydrophobicContact CG2-CG 4.08Å; L333-L341 WeakPolarHBondContact O-CA 3.25Å; L333-L342 HydrophobicContact CB-CD1 3.81Å; L333-L342 HydrophobicContact CB-CG 3.93Å; L333-L342 HydrophobicContact CD1-CD1 3.8Å; L333-L342 HydrophobicContact CG-CD1 3.97Å; L333-L342 PolarHBondContact N-O 3.02Å; L333-L342 PolarHBondContact O-N 3.22Å |
| 334 | G | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N320 S321 Q340 | N320-G334 PolarHBondContact N-O 3.43Å; S321-G334 PolarHBondContact N-O 2.85Å; S321-G334 PolarHBondContact O-N 3.19Å; G334-Q340 WeakPolarHBondContact CA-O 3.4Å |
| 335 | S | 93.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.8 | 171.1 | -176 | 0 | 0 | 0 | 0 | 110.1 | P318 G339 Q340 | P318-S335 PolarHBondContact O-OG 3.44Å; S335-G339 PolarHBondContact O-N 2.87Å; S335-G339 VanDerWaalsContact O-N 3.16Å; S335-Q340 PolarHBondContact N-O 3.37Å; S335-Q340 PolarHBondContact O-N 3.38Å |
| 336 | S | 88.6 | Confident | 92.7 | Very high | 40 Ų | 40 | 26.6 Ų | 26.6 | 28% | 0.28 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -43.8 | -172.7 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | N320 L338 G339 | N320-S336 VanDerWaalsContact CG-OG 3.32Å; N320-S336 VanDerWaalsContact OD1-CB 3.27Å; N320-S336 WeakPolarHBondContact OD1-CB 3.43Å; N320-S336 PolarHBondContact OD1-N 2.93Å; N320-S336 PolarHBondContact OD1-OG 3.06Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 3.26Å; S336-G339 PolarHBondContact O-N 3.44Å |
| 337 | R | 84.4 | Confident | 92.8 | Very high | 92 Ų | 92 | 29.9 Ų | 29.9 | 35% | 0.347 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -40.9 | -176.5 | -164.6 | 171.2 | 173.2 | 179.6 | 7.1 | 111.5 | F317 F359 P681 | F317-R337 HydrophobicContact CD1-CB 4.49Å; F317-R337 VanDerWaalsContact CD1-CD 3.47Å; F317-R337 HydrophobicContact CD1-CG 4.21Å; F317-R337 HydrophobicContact CE1-CG 4.38Å; R337-F359 HydrophobicContact CG-CE2 3.93Å; R337-F359 HydrophobicContact CG-CZ 4.38Å; R337-F359 WeakPolarHBondContact O-CD2 3.43Å; R337-F359 WeakPolarHBondContact O-CE2 3.29Å; R337-P681 PolarHBondContact NH2-O 3.14Å |
| 338 | L | 84.7 | Confident | 92.9 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -12.9 | 175.6 | -75.6 | -176.5 | 0 | 0 | 0 | 114.7 | S315 F317 S336 Q340 F359 | S315-L338 VanDerWaalsContact CB-CD1 3.43Å; F317-L338 HydrophobicContact CB-CG 4.41Å; F317-L338 HydrophobicContact CD2-CD1 3.71Å; F317-L338 HydrophobicContact CD2-CD2 3.52Å; F317-L338 HydrophobicContact CD2-CG 3.39Å; F317-L338 HydrophobicContact CE2-CD1 4.43Å; F317-L338 HydrophobicContact CE2-CD2 3.5Å; F317-L338 HydrophobicContact CE2-CG 3.96Å; F317-L338 HydrophobicContact CG-CG 4.2Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 3.26Å; L338-Q340 HydrophobicContact CB-CB 3.94Å; L338-Q340 PolarHBondContact O-N 3.2Å; L338-F359 HydrophobicContact CD2-CD2 3.89Å; L338-F359 HydrophobicContact CD2-CE2 4.12Å |
| 339 | G | 89.4 | Confident | 93 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 36.4 | -167 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y15 S335 S336 G357 | Y15-G339 VanDerWaalsContact O-CA 3.28Å; Y15-G339 WeakPolarHBondContact O-CA 3.43Å; S335-G339 PolarHBondContact O-N 2.87Å; S335-G339 VanDerWaalsContact O-N 3.16Å; S336-G339 PolarHBondContact O-N 3.44Å; G339-G357 PolarHBondContact O-N 2.66Å |
| 340 | Q | 93.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.1 | -173.7 | -173.5 | 176.8 | -9.4 | 0 | 0 | 111 | G334 S335 L338 Q355 Q356 | G334-Q340 WeakPolarHBondContact CA-O 3.4Å; S335-Q340 PolarHBondContact N-O 3.37Å; S335-Q340 PolarHBondContact O-N 3.38Å; L338-Q340 HydrophobicContact CB-CB 3.94Å; L338-Q340 PolarHBondContact O-N 3.2Å; Q340-Q355 WeakPolarHBondContact CA-O 3.46Å; Q340-Q355 WeakPolarHBondContact CG-O 3.2Å; Q340-Q356 HydrophobicContact CB-CG 4.22Å; Q340-Q356 HydrophobicContact CG-CB 4.4Å; Q340-Q356 HydrophobicContact CG-CG 4.49Å |
| 341 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.9 | 169.5 | -179.9 | 65.2 | 0 | 0 | 0 | 108.4 | V14 L20 V29 Y40 L333 Q355 | V14-L341 HydrophobicContact CB-CB 4.25Å; V14-L341 HydrophobicContact CG1-CB 3.46Å; V14-L341 VanDerWaalsContact CG1-CB 3.46Å; V14-L341 HydrophobicContact CG1-CD2 3.79Å; V14-L341 HydrophobicContact CG1-CG 4.24Å; L20-L341 HydrophobicContact CD1-CD1 3.51Å; L20-L341 HydrophobicContact CD2-CD1 3.79Å; L20-L341 HydrophobicContact CG-CD1 4.32Å; V29-L341 HydrophobicContact CG1-CD2 4.36Å; Y40-L341 HydrophobicContact CD2-CD2 3.52Å; Y40-L341 HydrophobicContact CE2-CD2 3.5Å; L333-L341 WeakPolarHBondContact O-CA 3.25Å; L341-Q355 PolarHBondContact N-O 2.69Å; L341-Q355 PolarHBondContact O-N 3.28Å |
| 342 | L | 94.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.9 | 172.7 | 69.9 | 80.2 | 0 | 0 | 0 | 110.9 | I314 A332 L333 W344 Y351 M353 | I314-L342 HydrophobicContact CB-CD2 4.3Å; I314-L342 HydrophobicContact CD1-CD2 3.69Å; I314-L342 HydrophobicContact CG1-CD2 3.81Å; I314-L342 HydrophobicContact CG2-CD2 3.46Å; I314-L342 VanDerWaalsContact CG2-CD2 3.46Å; A332-L342 CarbonylContact C-O 3.53Å; A332-L342 VanDerWaalsContact CA-O 3.29Å; A332-L342 WeakPolarHBondContact CA-O 3.42Å; L333-L342 HydrophobicContact CB-CD1 3.81Å; L333-L342 HydrophobicContact CB-CG 3.93Å; L333-L342 HydrophobicContact CD1-CD1 3.8Å; L333-L342 HydrophobicContact CG-CD1 3.97Å; L333-L342 PolarHBondContact N-O 3.02Å; L333-L342 PolarHBondContact O-N 3.22Å; L342-W344 HydrophobicContact CD1-CB 3.99Å; L342-Y351 HydrophobicContact CD2-CE1 4.28Å; L342-M353 CarbonylContact C-O 3.56Å; L342-M353 WeakPolarHBondContact CA-O 3.3Å; L342-M353 WeakPolarHBondContact CB-O 3.37Å |
| 343 | V | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 107 | F22 V29 L42 W330 I331 A332 V352 M353 | F22-V343 HydrophobicContact CZ-CG1 4.23Å; V29-V343 HydrophobicContact CG2-CG2 3.95Å; L42-V343 HydrophobicContact CD1-CB 4.4Å; L42-V343 HydrophobicContact CD1-CG1 3.9Å; L42-V343 HydrophobicContact CD1-CG2 4.12Å; L42-V343 HydrophobicContact CD2-CG2 4.09Å; W330-V343 HydrophobicContact CB-CG1 3.85Å; W330-V343 HydrophobicContact CG-CG1 4.24Å; I331-V343 CarbonylContact O-C 3.46Å; I331-V343 VanDerWaalsContact O-CA 3.29Å; I331-V343 WeakPolarHBondContact O-CA 3.38Å; A332-V343 HydrophobicContact CB-CG2 4.32Å; V343-V352 HydrophobicContact CB-CB 4.32Å; V343-V352 HydrophobicContact CG1-CB 4.18Å; V343-V352 PolarHBondContact O-N 2.76Å; V343-M353 HydrophobicContact CB-CB 3.97Å; V343-M353 HydrophobicContact CG2-CB 4.1Å; V343-M353 PolarHBondContact N-O 3Å; V343-M353 PolarHBondContact O-N 2.96Å; V343-M353 VanDerWaalsContact O-N 3.09Å |
| 344 | W | 95.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.7 | -175 | -175 | 63.8 | 0 | 0 | 0 | 110 | F298 L300 H310 L312 W330 I331 L342 W346 E349 Y351 | F298-W344 HydrophobicContact CE2-CD2 4.4Å; F298-W344 AromaticContact CE2-CE3 3.62Å; F298-W344 HydrophobicContact CE2-CE3 3.62Å; F298-W344 HydrophobicContact CE2-CH2 4.43Å; F298-W344 AromaticContact CE2-CZ3 3.62Å; F298-W344 HydrophobicContact CE2-CZ3 3.62Å; F298-W344 HydrophobicContact CZ-CD2 4.08Å; F298-W344 AromaticContact CZ-CE3 3.75Å; F298-W344 HydrophobicContact CZ-CE3 3.75Å; F298-W344 HydrophobicContact CZ-CH2 4.48Å; F298-W344 AromaticContact CZ-CZ3 3.95Å; F298-W344 HydrophobicContact CZ-CZ3 3.95Å; L300-W344 HydrophobicContact CD1-CZ3 3.91Å; L300-W344 HydrophobicContact CD2-CH2 4.42Å; L300-W344 HydrophobicContact CD2-CZ3 3.75Å; L300-W344 HydrophobicContact CG-CZ3 4.5Å; H310-W344 HydrophobicContact CB-CH2 4.25Å; H310-W344 AromaticContact CD2-CH2 3.72Å; L312-W344 HydrophobicContact CD1-CH2 3.83Å; L312-W344 HydrophobicContact CD1-CZ2 3.56Å; W330-W344 WeakPolarHBondContact CA-O 3.44Å; I331-W344 HydrophobicContact CD1-CE3 4.06Å; I331-W344 HydrophobicContact CD1-CZ3 4.23Å; I331-W344 PolarHBondContact N-O 3.48Å; I331-W344 PolarHBondContact O-N 3.4Å; L342-W344 HydrophobicContact CD1-CB 3.99Å; W344-W346 HydrophobicContact CD2-CB 4.34Å; W344-W346 HydrophobicContact CE3-CB 3.58Å; W344-W346 HydrophobicContact CH2-CB 3.52Å; W344-W346 HydrophobicContact CZ2-CB 4.27Å; W344-W346 HydrophobicContact CZ3-CB 3.13Å; W344-E349 HydrophobicContact CZ2-CB 4.34Å; W344-E349 HydrophobicContact CZ2-CG 4.38Å; W344-Y351 HydrophobicContact CB-CD1 4.46Å; W344-Y351 AromaticContact CD1-CD1 3.88Å; W344-Y351 AromaticContact CD1-CE1 3.97Å |
| 345 | E | 95.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 108.6 | 171 | -178.4 | 179.2 | -138.8 | 0 | 0 | 107.7 | S348 E349 T350 V352 | E345-S348 VanDerWaalsContact CD-OG 3.23Å; E345-S348 WeakPolarHBondContact CG-OG 3.36Å; E345-S348 PolarHBondContact O-OG 2.77Å; E345-S348 WeakPolarHBondContact OE2-CB 3.32Å; E345-S348 PolarHBondContact OE2-OG 2.92Å; E345-E349 WeakPolarHBondContact O-CA 3.18Å; E345-E349 PolarHBondContact O-N 2.96Å; E345-T350 PolarHBondContact N-O 3.32Å; E345-T350 PolarHBondContact O-N 2.89Å; E345-V352 HydrophobicContact CB-CG2 3.86Å |
| 346 | W | 93.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -30.5 | -167.1 | 66 | -91.8 | 0 | 0 | 0 | 113.2 | L300 I309 G328 E329 I331 W344 E349 | L300-W346 HydrophobicContact CD2-CB 3.6Å; L300-W346 HydrophobicContact CD2-CD2 4.19Å; L300-W346 HydrophobicContact CD2-CE3 4.46Å; L300-W346 HydrophobicContact CD2-CG 3.85Å; I309-W346 HydrophobicContact CD1-CZ3 4.36Å; I309-W346 HydrophobicContact CG2-CE3 4.29Å; I309-W346 HydrophobicContact CG2-CZ3 4.25Å; G328-W346 PolarHBondContact O-NE1 2.84Å; E329-W346 VanDerWaalsContact O-CD1 3.26Å; I331-W346 HydrophobicContact CD1-CB 4.08Å; I331-W346 HydrophobicContact CD1-CG 4.27Å; W344-W346 HydrophobicContact CD2-CB 4.34Å; W344-W346 HydrophobicContact CE3-CB 3.58Å; W344-W346 HydrophobicContact CH2-CB 3.52Å; W344-W346 HydrophobicContact CZ2-CB 4.27Å; W344-W346 HydrophobicContact CZ3-CB 3.13Å; W346-E349 PolarHBondContact O-N 2.86Å |
| 347 | Q | 93.1 | Very high | 92.6 | Very high | 128 Ų | 128 | 45.5 Ų | 45.5 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -33.9 | -179.9 | -65.3 | -176.6 | -8.9 | 0 | 0 | 113 | ||
| 348 | S | 92.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -7.8 | 177.3 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | E345 T350 | E345-S348 VanDerWaalsContact CD-OG 3.23Å; E345-S348 WeakPolarHBondContact CG-OG 3.36Å; E345-S348 PolarHBondContact O-OG 2.77Å; E345-S348 WeakPolarHBondContact OE2-CB 3.32Å; E345-S348 PolarHBondContact OE2-OG 2.92Å; S348-T350 VanDerWaalsContact O-CG2 3.32Å; S348-T350 WeakPolarHBondContact O-CG2 2.86Å; S348-T350 PolarHBondContact O-N 3.31Å; S348-T350 PolarHBondContact OG-N 2.88Å; S348-T350 PolarHBondContact OG-OG1 2.92Å |
| 349 | E | 93.1 | Very high | 92.7 | Very high | 127 Ų | 127 | 44 Ų | 44 | 59% | 0.593 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 27.7 | -171.1 | -57.3 | 177.6 | -177.4 | 0 | 0 | 113.2 | H310 W344 E345 W346 | H310-E349 IonicContact CE1-OE1 2.73Å; H310-E349 PolarHBondContact CE1-OE1 2.84Å; H310-E349 IonicContact NE2-OE1 3.19Å; W344-E349 HydrophobicContact CZ2-CB 4.34Å; W344-E349 HydrophobicContact CZ2-CG 4.38Å; E345-E349 WeakPolarHBondContact O-CA 3.18Å; E345-E349 PolarHBondContact O-N 2.96Å; W346-E349 PolarHBondContact O-N 2.86Å |
| 350 | T | 94 | Very high | 92.5 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 41% | 0.411 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149 | -176.5 | 70.8 | 0 | 0 | 0 | 0 | 113.5 | E345 S348 V352 | E345-T350 PolarHBondContact N-O 3.32Å; E345-T350 PolarHBondContact O-N 2.89Å; S348-T350 VanDerWaalsContact O-CG2 3.32Å; S348-T350 WeakPolarHBondContact O-CG2 2.86Å; S348-T350 PolarHBondContact O-N 3.31Å; S348-T350 PolarHBondContact OG-N 2.88Å; S348-T350 PolarHBondContact OG-OG1 2.92Å; T350-V352 PolarHBondContact O-N 2.82Å |
| 351 | Y | 92.6 | Very high | 92.2 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.5 | 169.1 | -62.1 | -74.8 | 0 | 0 | 0 | 109.6 | L342 W344 M353 | L342-Y351 HydrophobicContact CD2-CE1 4.28Å; W344-Y351 HydrophobicContact CB-CD1 4.46Å; W344-Y351 AromaticContact CD1-CD1 3.88Å; W344-Y351 AromaticContact CD1-CE1 3.97Å; Y351-M353 VanDerWaalsContact C-N 3.33Å |
| 352 | V | 92.8 | Very high | 92.1 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -40.3 | 167.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | W330 V343 E345 T350 | W330-V352 HydrophobicContact CD2-CG2 4.49Å; W330-V352 HydrophobicContact CG-CG2 4.5Å; W330-V352 HydrophobicContact CZ2-CG1 4.46Å; V343-V352 HydrophobicContact CB-CB 4.32Å; V343-V352 HydrophobicContact CG1-CB 4.18Å; V343-V352 PolarHBondContact O-N 2.76Å; E345-V352 HydrophobicContact CB-CG2 3.86Å; T350-V352 PolarHBondContact O-N 2.82Å |
| 353 | M | 93.3 | Very high | 92 | Very high | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 133.7 | 177.4 | -179.2 | 177.2 | -71.5 | 0 | 0 | 110.3 | Y40 L42 L342 V343 Y351 Q355 F392 | Y40-M353 HydrophobicContact CG-SD 4.41Å; L42-M353 HydrophobicContact CD2-CB 4.3Å; L42-M353 HydrophobicContact CD2-CE 3.24Å; L42-M353 HydrophobicContact CD2-SD 4Å; L342-M353 CarbonylContact C-O 3.56Å; L342-M353 WeakPolarHBondContact CA-O 3.3Å; L342-M353 WeakPolarHBondContact CB-O 3.37Å; V343-M353 HydrophobicContact CB-CB 3.97Å; V343-M353 HydrophobicContact CG2-CB 4.1Å; V343-M353 PolarHBondContact N-O 3Å; V343-M353 PolarHBondContact O-N 2.96Å; V343-M353 VanDerWaalsContact O-N 3.09Å; Y351-M353 VanDerWaalsContact C-N 3.33Å; M353-Q355 HydrophobicContact CG-CB 4.4Å; M353-Q355 HydrophobicContact CG-CG 3.66Å; M353-Q355 HydrophobicContact SD-CG 4.09Å; M353-F392 HydrophobicContact CE-CD1 4.31Å; M353-F392 HydrophobicContact CE-CE1 3.26Å; M353-F392 HydrophobicContact CE-CE2 4.02Å; M353-F392 HydrophobicContact CE-CZ 3.11Å; M353-F392 HydrophobicContact SD-CE1 3.85Å; M353-F392 HydrophobicContact SD-CZ 4.28Å |
| 354 | K | 93.2 | Very high | 91.9 | Very high | 118 Ų | 118 | 48.4 Ų | 48.4 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 106.6 | 167.1 | -176 | 175.1 | -179 | 172.6 | 0 | 108.1 | ||
| 355 | Q | 94.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.5 | -175.6 | -68.9 | -66 | -51.8 | 0 | 0 | 109.5 | V14 Q340 L341 M353 F392 C393 | V14-Q355 HydrophobicContact CB-CB 4.48Å; V14-Q355 HydrophobicContact CG1-CB 3.84Å; V14-Q355 HydrophobicContact CG2-CB 3.99Å; Q340-Q355 WeakPolarHBondContact CA-O 3.46Å; Q340-Q355 WeakPolarHBondContact CG-O 3.2Å; L341-Q355 PolarHBondContact N-O 2.69Å; L341-Q355 PolarHBondContact O-N 3.28Å; M353-Q355 HydrophobicContact CG-CB 4.4Å; M353-Q355 HydrophobicContact CG-CG 3.66Å; M353-Q355 HydrophobicContact SD-CG 4.09Å; Q355-F392 HydrophobicContact CG-CD1 3.61Å; Q355-F392 HydrophobicContact CG-CE1 4.07Å; Q355-C393 PolarHBondContact NE2-O 2.77Å; Q355-C393 PolarHBondContact OE1-O 3.26Å |
| 356 | Q | 93.4 | Very high | 91.9 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.6 | -178.5 | -170.8 | -174.5 | 21.8 | 0 | 0 | 108.5 | Q340 K384 | Q340-Q356 HydrophobicContact CB-CG 4.22Å; Q340-Q356 HydrophobicContact CG-CB 4.4Å; Q340-Q356 HydrophobicContact CG-CG 4.49Å; Q356-K384 PolarHBondContact O-NZ 2.9Å |
| 357 | G | 90.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -66.2 | -174.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G12 G339 K384 | G12-G357 WeakPolarHBondContact O-CA 3.27Å; G339-G357 PolarHBondContact O-N 2.66Å; G357-K384 VanDerWaalsContact O-CE 3.28Å; G357-K384 WeakPolarHBondContact O-CE 3.45Å | ||
| 358 | H | 88.3 | Confident | 92 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 6% | 0.06 | 19% | 0.192 | C | C | . | . | trans | -74.6 | 140.7 | 163 | -74.2 | -84 | 0 | 0 | 0 | 110 | G12 H360 M362 T376 D380 K382 | G12-H358 PolarHBondContact O-N 2.83Å; H358-H360 WeakPolarHBondContact CB-O 3.26Å; H358-M362 HydrophobicContact CB-CG 4.17Å; H358-M362 WeakPolarHBondContact CD2-CG 3.43Å; H358-M362 PolarHBondContact CD2-SD 3.02Å; H358-T376 PolarHBondContact NE2-OG1 2.9Å; H358-D380 WeakPolarHBondContact CA-OD2 3.42Å; H358-D380 IonicContact CE1-OD1 3.63Å; H358-D380 IonicContact CG-OD2 3.56Å; H358-D380 IonicContact ND1-OD1 3.46Å; H358-D380 PolarHBondContact ND1-OD1 2.88Å; H358-D380 IonicContact ND1-OD2 2.64Å; H358-D380 PolarHBondContact ND1-OD2 3.15Å; H358-K382 PolarHBondContact CE1-O 3.22Å | ||
| 359 | F | 83.6 | Confident | 91.9 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -70.7 | -41.1 | 176.5 | -179.5 | -110.5 | 0 | 0 | 0 | 111.3 | R337 L338 D380 | R337-F359 HydrophobicContact CG-CE2 3.93Å; R337-F359 HydrophobicContact CG-CZ 4.38Å; R337-F359 WeakPolarHBondContact O-CD2 3.43Å; R337-F359 WeakPolarHBondContact O-CE2 3.29Å; L338-F359 HydrophobicContact CD2-CD2 3.89Å; L338-F359 HydrophobicContact CD2-CE2 4.12Å; F359-D380 HydrophobicContact CB-CB 4.01Å; F359-D380 PolarHBondContact N-OD2 3.15Å; F359-D380 VanDerWaalsContact N-OD2 3.12Å |
| 360 | H | 84.5 | Confident | 91.5 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 21% | 0.208 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -106 | 177.2 | 173.9 | -63.6 | 163.2 | 0 | 0 | 0 | 111.1 | H358 Y379 D380 H679 | H358-H360 WeakPolarHBondContact CB-O 3.26Å; H360-Y379 PolarHBondContact ND1-O 3.5Å; H360-D380 HydrophobicContact CB-CB 4.43Å; H360-H679 AromaticContact CD2-CG 3.97Å; H360-H679 VanDerWaalsContact CE1-CB 3.45Å; H360-H679 WeakPolarHBondContact CE1-CB 3.26Å; H360-H679 AromaticContact CG-CD2 3.95Å; H360-H679 AromaticContact CG-CG 3.73Å; H360-H679 AromaticContact ND1-CG 3.88Å |
| 361 | N | 87.2 | Confident | 91.2 | Very high | 43 Ų | 43 | 29.4 Ų | 29.4 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | trans | -61.1 | 156.2 | 176.6 | -70.2 | -18.1 | 0 | 0 | 0 | 111.4 | Y379 | N361-Y379 HydrophobicContact CB-CD2 3.77Å; N361-Y379 HydrophobicContact CB-CE2 3.88Å; N361-Y379 WeakPolarHBondContact O-CD2 3.22Å; N361-Y379 PolarHBondContact O-N 2.92Å | ||
| 362 | M | 92.2 | Very high | 91 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137.7 | 175 | -69 | 170.6 | -73.2 | 0 | 0 | 110.1 | H358 T376 G377 S693 C707 G711 V712 | H358-M362 HydrophobicContact CB-CG 4.17Å; H358-M362 WeakPolarHBondContact CD2-CG 3.43Å; H358-M362 PolarHBondContact CD2-SD 3.02Å; M362-T376 HydrophobicContact SD-CG2 3.86Å; M362-G377 WeakPolarHBondContact CA-O 3.03Å; M362-S693 VanDerWaalsContact O-CB 3.31Å; M362-S693 WeakPolarHBondContact O-CB 3.22Å; M362-S693 PolarHBondContact O-OG 2.89Å; M362-C707 HydrophobicContact CB-CB 4.28Å; M362-G711 VanDerWaalsContact CE-CA 3.45Å; M362-V712 HydrophobicContact CE-CG2 3.66Å; M362-V712 HydrophobicContact SD-CG2 3.53Å; M362-V712 VanDerWaalsContact SD-CG2 3.53Å |
| 363 | A | 92.8 | Very high | 91 | Very high | 13 Ų | 13 | 24 Ų | 24 | 11% | 0.107 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -35.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G377 Y379 V404 S693 | A363-G377 PolarHBondContact N-O 2.85Å; A363-Y379 HydrophobicContact CB-CD1 4.29Å; A363-Y379 HydrophobicContact CB-CE1 3.65Å; A363-Y379 HydrophobicContact CB-CE2 4.34Å; A363-V404 WeakPolarHBondContact CB-O 3.47Å; A363-S693 WeakPolarHBondContact O-CB 3.1Å; A363-S693 PolarHBondContact O-OG 2.86Å |
| 364 | S | 93.9 | Very high | 91.1 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.3 | -171.6 | 67 | 0 | 0 | 0 | 0 | 112.5 | T376 G377 V407 | S364-T376 WeakPolarHBondContact O-CA 3.42Å; S364-G377 PolarHBondContact N-O 3.27Å; S364-G377 PolarHBondContact O-N 3.29Å; S364-V407 WeakPolarHBondContact OG-CG2 3.3Å; S364-V407 PolarHBondContact OG-N 2.97Å |
| 365 | V | 96 | Very high | 91.3 | Very high | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.9 | 170.5 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | I374 A375 T376 S694 Q696 A705 V712 | V365-I374 HydrophobicContact CG2-CG2 3.3Å; V365-A375 CarbonylContact C-O 3.6Å; V365-A375 WeakPolarHBondContact CA-O 3.14Å; V365-T376 HydrophobicContact CG2-CG2 4.33Å; V365-S694 PolarHBondContact N-OG 2.96Å; V365-Q696 HydrophobicContact CG1-CB 4.31Å; V365-A705 HydrophobicContact CG2-CB 4.45Å; V365-V712 HydrophobicContact CG2-CG1 4.41Å |
| 366 | S | 96 | Very high | 91.4 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 128.6 | 165.1 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | I374 A375 V407 W409 Q696 | S366-I374 CarbonylContact O-C 3.58Å; S366-A375 PolarHBondContact N-O 2.67Å; S366-A375 PolarHBondContact O-N 2.78Å; S366-V407 WeakPolarHBondContact CB-O 3.43Å; S366-W409 PolarHBondContact O-NE1 3.42Å; S366-W409 VanDerWaalsContact OG-CD1 3.3Å; S366-Q696 VanDerWaalsContact C-OE1 3.26Å; S366-Q696 PolarHBondContact OG-NE2 2.96Å |
| 367 | Y | 95.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 2% | 0.024 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 146 | 166.5 | -85.5 | -82.8 | 0 | 0 | 0 | 110.1 | L373 I374 V388 Q696 A705 | Y367-L373 WeakPolarHBondContact CA-O 3.19Å; Y367-I374 HydrophobicContact CD1-CD1 4.28Å; Y367-I374 HydrophobicContact CD1-CG1 3.64Å; Y367-I374 HydrophobicContact CE1-CD1 3.65Å; Y367-I374 HydrophobicContact CE1-CG1 3.52Å; Y367-I374 HydrophobicContact CE2-CD1 4.31Å; Y367-I374 HydrophobicContact CE2-CG1 4.41Å; Y367-I374 HydrophobicContact CG-CG1 4.15Å; Y367-V388 HydrophobicContact CD1-CG2 4.49Å; Y367-V388 HydrophobicContact CE1-CG2 3.91Å; Y367-Q696 HydrophobicContact CD2-CB 4.27Å; Y367-Q696 HydrophobicContact CD2-CG 4.39Å; Y367-A705 HydrophobicContact CE2-CB 3.51Å |
| 368 | S | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | trans | -68 | 154.4 | 164.6 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | N370 G371 A372 L373 P699 | S368-N370 WeakPolarHBondContact CB-OD1 3.45Å; S368-N370 PolarHBondContact O-N 2.79Å; S368-N370 PolarHBondContact OG-OD1 2.98Å; S368-G371 PolarHBondContact O-N 2.88Å; S368-A372 PolarHBondContact OG-N 3.48Å; S368-L373 PolarHBondContact N-O 2.73Å; S368-L373 PolarHBondContact OG-N 3.47Å; S368-L373 PolarHBondContact OG-O 2.83Å; S368-P699 WeakPolarHBondContact O-CG 3.36Å | ||
| 369 | P | 89.9 | Confident | 91.8 | Very high | 32 Ų | 32 | 17.1 Ų | 17.1 | 21% | 0.208 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.7 | -177.7 | -25.8 | 33.5 | 0 | 0 | 0 | 114.8 | W409 T410 Q411 P699 T834 | P369-W409 HydrophobicContact CG-CB 4.49Å; P369-T410 WeakPolarHBondContact CG-O 3.3Å; P369-Q411 WeakPolarHBondContact CB-O 3.44Å; P369-Q411 WeakPolarHBondContact CG-O 3.44Å; P369-P699 WeakPolarHBondContact O-CB 3.46Å; P369-T834 WeakPolarHBondContact O-CG2 3.24Å |
| 370 | N | 85.4 | Confident | 92 | Very high | 23 Ų | 23 | 15.5 Ų | 15.5 | 12% | 0.123 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.1 | 175 | 71 | -29.8 | 0 | 0 | 0 | 114.2 | S368 A372 Q838 | S368-N370 WeakPolarHBondContact CB-OD1 3.45Å; S368-N370 PolarHBondContact O-N 2.79Å; S368-N370 PolarHBondContact OG-OD1 2.98Å; N370-A372 PolarHBondContact O-N 3.38Å; N370-A372 VanDerWaalsContact O-N 3.11Å; N370-Q838 VanDerWaalsContact O-CB 3.28Å; N370-Q838 WeakPolarHBondContact O-CB 3.32Å; N370-Q838 VanDerWaalsContact O-CD 3.3Å; N370-Q838 WeakPolarHBondContact O-CG 3Å |
| 371 | G | 87.8 | Confident | 92.4 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 70.7 | 0.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | S368 Q838 | S368-G371 PolarHBondContact O-N 2.88Å; G371-Q838 PolarHBondContact O-NE2 3.47Å |
| 372 | A | 87.6 | Confident | 92.8 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.033 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -80.8 | -26.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S368 N370 N387 V388 Q838 | S368-A372 PolarHBondContact OG-N 3.48Å; N370-A372 PolarHBondContact O-N 3.38Å; N370-A372 VanDerWaalsContact O-N 3.11Å; A372-N387 PolarHBondContact O-OD1 3.39Å; A372-V388 WeakPolarHBondContact O-CG2 3.32Å; A372-V388 PolarHBondContact O-N 3.21Å; A372-Q838 HydrophobicContact CB-CG 4.08Å |
| 373 | L | 92.8 | Very high | 93 | Very high | 22 Ų | 22 | 13.7 Ų | 13.7 | 12% | 0.115 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.6 | -174.8 | -54.4 | 177.1 | 0 | 0 | 0 | 109.7 | Y367 S368 V385 W386 N387 F394 W409 | Y367-L373 WeakPolarHBondContact CA-O 3.19Å; S368-L373 PolarHBondContact N-O 2.73Å; S368-L373 PolarHBondContact OG-N 3.47Å; S368-L373 PolarHBondContact OG-O 2.83Å; L373-V385 HydrophobicContact CB-CG1 4.26Å; L373-W386 CarbonylContact C-O 3.55Å; L373-W386 VanDerWaalsContact CA-O 3.28Å; L373-W386 WeakPolarHBondContact CA-O 3.18Å; L373-N387 HydrophobicContact CD2-CB 4.19Å; L373-F394 HydrophobicContact CD1-CE1 4.26Å; L373-F394 HydrophobicContact CD1-CZ 3.9Å; L373-F394 HydrophobicContact CD2-CE1 3.66Å; L373-F394 HydrophobicContact CD2-CZ 4.1Å; L373-F394 HydrophobicContact CG-CE1 4.45Å; L373-W409 HydrophobicContact CB-CH2 3.88Å; L373-W409 HydrophobicContact CB-CZ2 4.03Å; L373-W409 HydrophobicContact CD1-CH2 3.83Å; L373-W409 HydrophobicContact CD1-CZ3 4.48Å |
| 374 | I | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.9 | 171.3 | -68.5 | 171.3 | 0 | 0 | 0 | 107.5 | V365 S366 Y367 T376 V385 W386 V388 A705 I714 | V365-I374 HydrophobicContact CG2-CG2 3.3Å; S366-I374 CarbonylContact O-C 3.58Å; Y367-I374 HydrophobicContact CD1-CD1 4.28Å; Y367-I374 HydrophobicContact CD1-CG1 3.64Å; Y367-I374 HydrophobicContact CE1-CD1 3.65Å; Y367-I374 HydrophobicContact CE1-CG1 3.52Å; Y367-I374 HydrophobicContact CE2-CD1 4.31Å; Y367-I374 HydrophobicContact CE2-CG1 4.41Å; Y367-I374 HydrophobicContact CG-CG1 4.15Å; I374-T376 HydrophobicContact CG2-CG2 4.08Å; I374-V385 CarbonylContact O-C 3.58Å; I374-V385 WeakPolarHBondContact O-CA 3.33Å; I374-W386 HydrophobicContact CB-CB 4.47Å; I374-W386 PolarHBondContact N-O 2.94Å; I374-W386 PolarHBondContact O-N 3.33Å; I374-V388 HydrophobicContact CD1-CG2 3.69Å; I374-V388 HydrophobicContact CG1-CG2 3.65Å; I374-A705 HydrophobicContact CD1-CB 4.21Å; I374-I714 HydrophobicContact CD1-CD1 3.95Å; I374-I714 HydrophobicContact CD1-CG1 4.42Å |
| 375 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V365 S366 K384 V385 V407 W409 V416 | V365-A375 CarbonylContact C-O 3.6Å; V365-A375 WeakPolarHBondContact CA-O 3.14Å; S366-A375 PolarHBondContact N-O 2.67Å; S366-A375 PolarHBondContact O-N 2.78Å; A375-K384 CarbonylContact C-O 3.56Å; A375-K384 WeakPolarHBondContact CA-O 3.44Å; A375-V385 HydrophobicContact CB-CG2 4.4Å; A375-V407 HydrophobicContact CB-CG1 3.58Å; A375-W409 HydrophobicContact CB-CZ2 3.85Å; A375-V416 HydrophobicContact CB-CG1 3.92Å; A375-V416 HydrophobicContact CB-CG2 4.43Å |
| 376 | T | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.9 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | H358 M362 S364 V365 I374 V383 K384 W386 V712 | H358-T376 PolarHBondContact NE2-OG1 2.9Å; M362-T376 HydrophobicContact SD-CG2 3.86Å; S364-T376 WeakPolarHBondContact O-CA 3.42Å; V365-T376 HydrophobicContact CG2-CG2 4.33Å; I374-T376 HydrophobicContact CG2-CG2 4.08Å; T376-V383 CarbonylContact O-C 3.58Å; T376-V383 VanDerWaalsContact O-CA 3.31Å; T376-V383 WeakPolarHBondContact O-CA 3.21Å; T376-K384 PolarHBondContact N-O 3.19Å; T376-K384 PolarHBondContact O-N 3.43Å; T376-K384 PolarHBondContact OG1-O 3.05Å; T376-W386 PolarHBondContact OG1-NE1 3.35Å; T376-V712 HydrophobicContact CG2-CG2 3.64Å |
| 377 | G | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M362 A363 S364 | M362-G377 WeakPolarHBondContact CA-O 3.03Å; A363-G377 PolarHBondContact N-O 2.85Å; S364-G377 PolarHBondContact N-O 3.27Å; S364-G377 PolarHBondContact O-N 3.29Å |
| 378 | G | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 159.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D380 G381 K382 V404 | G378-D380 WeakPolarHBondContact CA-OD1 3.43Å; G378-D380 PolarHBondContact O-N 2.95Å; G378-G381 PolarHBondContact O-N 3.26Å; G378-K382 PolarHBondContact N-O 3Å; G378-V404 PolarHBondContact O-N 3.04Å |
| 379 | Y | 91.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 18.3 Ų | 18.3 | 25% | 0.251 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 6.5 | 165.4 | -54.6 | -64.5 | 0 | 0 | 0 | 112.6 | H360 N361 A363 G381 D403 H679 | H360-Y379 PolarHBondContact ND1-O 3.5Å; N361-Y379 HydrophobicContact CB-CD2 3.77Å; N361-Y379 HydrophobicContact CB-CE2 3.88Å; N361-Y379 WeakPolarHBondContact O-CD2 3.22Å; N361-Y379 PolarHBondContact O-N 2.92Å; A363-Y379 HydrophobicContact CB-CD1 4.29Å; A363-Y379 HydrophobicContact CB-CE1 3.65Å; A363-Y379 HydrophobicContact CB-CE2 4.34Å; Y379-G381 VanDerWaalsContact C-N 3.32Å; Y379-D403 HydrophobicContact CD1-CB 3.83Å; Y379-D403 WeakPolarHBondContact CD1-OD2 3.42Å; Y379-D403 VanDerWaalsContact O-OD1 3.12Å; Y379-H679 AromaticContact CD2-CD2 3.9Å; Y379-H679 AromaticContact CD2-NE2 3.24Å; Y379-H679 WeakPolarHBondContact CD2-NE2 3.33Å; Y379-H679 AromaticContact CG-CD2 3.94Å; Y379-H679 AromaticContact CG-NE2 3.77Å |
| 380 | D | 89.4 | Confident | 92 | Very high | 35 Ų | 35 | 17.6 Ų | 17.6 | 19% | 0.187 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6.5 | 170.1 | 62.4 | -10.5 | 0 | 0 | 0 | 112.4 | H358 F359 H360 G378 K382 | H358-D380 WeakPolarHBondContact CA-OD2 3.42Å; H358-D380 IonicContact CE1-OD1 3.63Å; H358-D380 IonicContact CG-OD2 3.56Å; H358-D380 IonicContact ND1-OD1 3.46Å; H358-D380 PolarHBondContact ND1-OD1 2.88Å; H358-D380 IonicContact ND1-OD2 2.64Å; H358-D380 PolarHBondContact ND1-OD2 3.15Å; F359-D380 HydrophobicContact CB-CB 4.01Å; F359-D380 PolarHBondContact N-OD2 3.15Å; F359-D380 VanDerWaalsContact N-OD2 3.12Å; H360-D380 HydrophobicContact CB-CB 4.43Å; G378-D380 WeakPolarHBondContact CA-OD1 3.43Å; G378-D380 PolarHBondContact O-N 2.95Å; D380-K382 PolarHBondContact O-N 3.48Å; D380-K382 PolarHBondContact OD1-N 3.43Å |
| 381 | G | 92.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 72.1 | 10.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G378 Y379 H400 G402 | G378-G381 PolarHBondContact O-N 3.26Å; Y379-G381 VanDerWaalsContact C-N 3.32Å; G381-H400 WeakPolarHBondContact O-CB 3.38Å; G381-G402 VanDerWaalsContact CA-O 3.29Å; G381-G402 WeakPolarHBondContact CA-O 3.47Å |
| 382 | K | 95.2 | Very high | 92.3 | Very high | 55 Ų | 55 | 17.6 Ų | 17.6 | 24% | 0.239 | 9% | 0.091 | C | C | . | . | trans | -103.2 | 142.8 | -178.3 | -63.7 | 178.2 | -179.8 | 176.9 | 0 | 111.2 | H358 G378 D380 T396 F397 D398 | H358-K382 PolarHBondContact CE1-O 3.22Å; G378-K382 PolarHBondContact N-O 3Å; D380-K382 PolarHBondContact O-N 3.48Å; D380-K382 PolarHBondContact OD1-N 3.43Å; K382-T396 HydrophobicContact CB-CG2 4.19Å; K382-T396 HydrophobicContact CD-CG2 4.03Å; K382-T396 HydrophobicContact CG-CG2 4.32Å; K382-F397 WeakPolarHBondContact CA-O 3.35Å; K382-D398 HydrophobicContact CG-CB 4.33Å | ||
| 383 | V | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.6 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 108 | T376 T396 F397 V404 V407 V416 F428 | T376-V383 CarbonylContact O-C 3.58Å; T376-V383 VanDerWaalsContact O-CA 3.31Å; T376-V383 WeakPolarHBondContact O-CA 3.21Å; V383-T396 CarbonylContact O-C 3.56Å; V383-T396 WeakPolarHBondContact O-CA 3.1Å; V383-F397 HydrophobicContact CB-CB 4.26Å; V383-F397 HydrophobicContact CB-CD2 4.32Å; V383-F397 HydrophobicContact CG1-CD2 4.35Å; V383-F397 PolarHBondContact N-O 3.5Å; V383-F397 PolarHBondContact O-N 2.95Å; V383-V404 HydrophobicContact CG2-CG1 4.1Å; V383-V404 HydrophobicContact CG2-CG2 3.96Å; V383-V407 HydrophobicContact CG1-CG2 4.4Å; V383-V416 HydrophobicContact CG1-CG1 4.34Å; V383-F428 HydrophobicContact CB-CE2 4.43Å; V383-F428 HydrophobicContact CG2-CE2 4.16Å |
| 384 | K | 96.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142 | -179.7 | -69.6 | 179.2 | 176.1 | -88.6 | 0 | 110.1 | Q356 G357 A375 T376 W386 T396 | Q356-K384 PolarHBondContact O-NZ 2.9Å; G357-K384 VanDerWaalsContact O-CE 3.28Å; G357-K384 WeakPolarHBondContact O-CE 3.45Å; A375-K384 CarbonylContact C-O 3.56Å; A375-K384 WeakPolarHBondContact CA-O 3.44Å; T376-K384 PolarHBondContact N-O 3.19Å; T376-K384 PolarHBondContact O-N 3.43Å; T376-K384 PolarHBondContact OG1-O 3.05Å; K384-W386 HydrophobicContact CB-CZ2 3.79Å; K384-W386 HydrophobicContact CD-CH2 4.19Å; K384-W386 HydrophobicContact CD-CZ2 3.56Å; K384-W386 HydrophobicContact CG-CZ2 4.3Å; K384-T396 HydrophobicContact CG-CG2 3.94Å; K384-T396 PolarHBondContact NZ-OG1 3.42Å; K384-T396 VanDerWaalsContact NZ-OG1 3.1Å |
| 385 | V | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.2 | 176 | -161.9 | 0 | 0 | 0 | 0 | 109.5 | L373 I374 A375 C393 F394 V395 F397 W409 L430 | L373-V385 HydrophobicContact CB-CG1 4.26Å; I374-V385 CarbonylContact O-C 3.58Å; I374-V385 WeakPolarHBondContact O-CA 3.33Å; A375-V385 HydrophobicContact CB-CG2 4.4Å; V385-C393 WeakPolarHBondContact O-CA 3.39Å; V385-F394 HydrophobicContact CB-CE1 3.77Å; V385-F394 HydrophobicContact CB-CZ 3.85Å; V385-F394 HydrophobicContact CG1-CE1 3.47Å; V385-F394 VanDerWaalsContact CG1-CE1 3.47Å; V385-F394 HydrophobicContact CG1-CZ 3.54Å; V385-F394 WeakPolarHBondContact O-CD1 3.16Å; V385-F394 WeakPolarHBondContact O-CE1 3.41Å; V385-F394 PolarHBondContact O-N 3.5Å; V385-V395 PolarHBondContact N-O 3.42Å; V385-F397 HydrophobicContact CG2-CE2 4.16Å; V385-W409 HydrophobicContact CG1-CH2 4.06Å; V385-W409 HydrophobicContact CG1-CZ2 3.92Å; V385-L430 HydrophobicContact CG2-CD2 4.24Å |
| 386 | W | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 143.2 | -176 | -49.2 | 87.5 | 0 | 0 | 0 | 109.9 | V11 G12 L373 I374 T376 K384 F392 C393 | V11-W386 HydrophobicContact CG1-CB 3.74Å; V11-W386 HydrophobicContact CG1-CD2 3.76Å; V11-W386 HydrophobicContact CG1-CE3 3.62Å; V11-W386 HydrophobicContact CG1-CG 3.79Å; G12-W386 VanDerWaalsContact CA-CZ2 3.49Å; L373-W386 CarbonylContact C-O 3.55Å; L373-W386 VanDerWaalsContact CA-O 3.28Å; L373-W386 WeakPolarHBondContact CA-O 3.18Å; I374-W386 HydrophobicContact CB-CB 4.47Å; I374-W386 PolarHBondContact N-O 2.94Å; I374-W386 PolarHBondContact O-N 3.33Å; T376-W386 PolarHBondContact OG1-NE1 3.35Å; K384-W386 HydrophobicContact CB-CZ2 3.79Å; K384-W386 HydrophobicContact CD-CH2 4.19Å; K384-W386 HydrophobicContact CD-CZ2 3.56Å; K384-W386 HydrophobicContact CG-CZ2 4.3Å; W386-F392 WeakPolarHBondContact CA-O 3.48Å; W386-C393 HydrophobicContact CD2-CB 4.01Å; W386-C393 HydrophobicContact CE3-CB 3.53Å; W386-C393 VanDerWaalsContact CE3-N 3.33Å; W386-C393 HydrophobicContact CH2-CB 3.7Å; W386-C393 HydrophobicContact CZ2-CB 4.16Å; W386-C393 HydrophobicContact CZ3-CB 3.38Å |
| 387 | N | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 22% | 0.219 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.1 | 166.5 | 179.1 | 8.9 | 0 | 0 | 0 | 109 | A372 L373 D389 S390 G391 F392 | A372-N387 PolarHBondContact O-OD1 3.39Å; L373-N387 HydrophobicContact CD2-CB 4.19Å; N387-D389 PolarHBondContact OD1-N 3.14Å; N387-S390 WeakPolarHBondContact CB-OG 3.35Å; N387-S390 PolarHBondContact ND2-OG 3.37Å; N387-S390 VanDerWaalsContact ND2-OG 3.09Å; N387-G391 WeakPolarHBondContact O-CA 3.27Å; N387-G391 PolarHBondContact O-N 3.45Å; N387-F392 PolarHBondContact N-O 3.02Å |
| 388 | V | 88.7 | Confident | 92.3 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 15% | 0.152 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -40.6 | -175.9 | 177 | 0 | 0 | 0 | 0 | 111.6 | Y367 A372 I374 I714 | Y367-V388 HydrophobicContact CD1-CG2 4.49Å; Y367-V388 HydrophobicContact CE1-CG2 3.91Å; A372-V388 WeakPolarHBondContact O-CG2 3.32Å; A372-V388 PolarHBondContact O-N 3.21Å; I374-V388 HydrophobicContact CD1-CG2 3.69Å; I374-V388 HydrophobicContact CG1-CG2 3.65Å; V388-I714 HydrophobicContact CG1-CD1 4.25Å |
| 389 | D | 82.4 | Confident | 92.4 | Very high | 75 Ų | 75 | 34 Ų | 34 | 40% | 0.401 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -36.6 | -174.2 | -59.9 | -30.5 | 0 | 0 | 0 | 112.3 | N387 L842 | N387-D389 PolarHBondContact OD1-N 3.14Å; D389-L842 WeakPolarHBondContact OD2-CD1 3.17Å |
| 390 | S | 86.4 | Confident | 92.6 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 12% | 0.119 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -20.4 | 178.5 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | H45 R46 S47 N387 F392 | H45-S390 WeakPolarHBondContact O-CB 3.23Å; R46-S390 CarbonylContact C-O 3.48Å; S47-S390 WeakPolarHBondContact CB-O 3.43Å; S47-S390 PolarHBondContact N-O 3.06Å; S47-S390 PolarHBondContact OG-O 3.33Å; N387-S390 WeakPolarHBondContact CB-OG 3.35Å; N387-S390 PolarHBondContact ND2-OG 3.37Å; N387-S390 VanDerWaalsContact ND2-OG 3.09Å; S390-F392 PolarHBondContact O-N 3.32Å |
| 391 | G | 87.7 | Confident | 92.8 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | trans | 62.5 | 11.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S47 N387 | S47-G391 WeakPolarHBondContact OG-CA 3.42Å; N387-G391 WeakPolarHBondContact O-CA 3.27Å; N387-G391 PolarHBondContact O-N 3.45Å | ||
| 392 | F | 92.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | trans | -91.4 | 142.9 | 177.8 | -66.4 | -52.1 | 0 | 0 | 0 | 112.5 | Y40 H45 M353 Q355 W386 N387 S390 | Y40-F392 AromaticContact CD1-CE1 3.39Å; Y40-F392 HydrophobicContact CD1-CE1 3.39Å; Y40-F392 AromaticContact CD1-CZ 3.7Å; Y40-F392 HydrophobicContact CD1-CZ 3.7Å; Y40-F392 AromaticContact CE1-CE1 3.76Å; Y40-F392 HydrophobicContact CE1-CE1 3.76Å; Y40-F392 HydrophobicContact CE1-CZ 4.44Å; Y40-F392 HydrophobicContact CG-CE1 4.36Å; H45-F392 HydrophobicContact CB-CD2 4.41Å; H45-F392 HydrophobicContact CB-CE2 4.1Å; H45-F392 WeakPolarHBondContact O-CE2 3.39Å; M353-F392 HydrophobicContact CE-CD1 4.31Å; M353-F392 HydrophobicContact CE-CE1 3.26Å; M353-F392 HydrophobicContact CE-CE2 4.02Å; M353-F392 HydrophobicContact CE-CZ 3.11Å; M353-F392 HydrophobicContact SD-CE1 3.85Å; M353-F392 HydrophobicContact SD-CZ 4.28Å; Q355-F392 HydrophobicContact CG-CD1 3.61Å; Q355-F392 HydrophobicContact CG-CE1 4.07Å; W386-F392 WeakPolarHBondContact CA-O 3.48Å; N387-F392 PolarHBondContact N-O 3.02Å; S390-F392 PolarHBondContact O-N 3.32Å | ||
| 393 | C | 93.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 10% | 0.101 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.5 | 163.8 | 172.6 | 0 | 0 | 0 | 0 | 108.3 | Q355 V385 W386 V395 T396 | Q355-C393 PolarHBondContact NE2-O 2.77Å; Q355-C393 PolarHBondContact OE1-O 3.26Å; V385-C393 WeakPolarHBondContact O-CA 3.39Å; W386-C393 HydrophobicContact CD2-CB 4.01Å; W386-C393 HydrophobicContact CE3-CB 3.53Å; W386-C393 VanDerWaalsContact CE3-N 3.33Å; W386-C393 HydrophobicContact CH2-CB 3.7Å; W386-C393 HydrophobicContact CZ2-CB 4.16Å; W386-C393 HydrophobicContact CZ3-CB 3.38Å; C393-V395 PolarHBondContact SG-O 2.89Å; C393-T396 PolarHBondContact SG-OG1 3.06Å |
| 394 | F | 88.6 | Confident | 92.7 | Very high | 87 Ų | 87 | 39.5 Ų | 39.5 | 38% | 0.382 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -17.2 | 176.6 | 71.7 | -81.6 | 0 | 0 | 0 | 112.7 | L373 V385 Y433 | L373-F394 HydrophobicContact CD1-CE1 4.26Å; L373-F394 HydrophobicContact CD1-CZ 3.9Å; L373-F394 HydrophobicContact CD2-CE1 3.66Å; L373-F394 HydrophobicContact CD2-CZ 4.1Å; L373-F394 HydrophobicContact CG-CE1 4.45Å; V385-F394 HydrophobicContact CB-CE1 3.77Å; V385-F394 HydrophobicContact CB-CZ 3.85Å; V385-F394 HydrophobicContact CG1-CE1 3.47Å; V385-F394 VanDerWaalsContact CG1-CE1 3.47Å; V385-F394 HydrophobicContact CG1-CZ 3.54Å; V385-F394 WeakPolarHBondContact O-CD1 3.16Å; V385-F394 WeakPolarHBondContact O-CE1 3.41Å; V385-F394 PolarHBondContact O-N 3.5Å; F394-Y433 HydrophobicContact CE2-CE1 4.26Å |
| 395 | V | 94.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 135.5 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | V385 C393 F397 Y433 | V385-V395 PolarHBondContact N-O 3.42Å; C393-V395 PolarHBondContact SG-O 2.89Å; V395-F397 HydrophobicContact CG1-CD1 4.11Å; V395-F397 HydrophobicContact CG1-CD2 4.04Å; V395-F397 HydrophobicContact CG1-CE1 3.67Å; V395-F397 HydrophobicContact CG1-CE2 3.6Å; V395-F397 HydrophobicContact CG1-CG 4.29Å; V395-F397 HydrophobicContact CG1-CZ 3.4Å; V395-F397 VanDerWaalsContact CG1-CZ 3.4Å; V395-Y433 HydrophobicContact CB-CD1 4.48Å; V395-Y433 HydrophobicContact CG1-CD1 4.23Å; V395-Y433 HydrophobicContact CG2-CD1 3.37Å; V395-Y433 HydrophobicContact CG2-CE1 3.31Å; V395-Y433 HydrophobicContact CG2-CG 4.24Å |
| 396 | T | 95.5 | Very high | 92.7 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127 | 166.9 | -61.3 | 0 | 0 | 0 | 0 | 107.9 | K382 V383 K384 C393 | K382-T396 HydrophobicContact CB-CG2 4.19Å; K382-T396 HydrophobicContact CD-CG2 4.03Å; K382-T396 HydrophobicContact CG-CG2 4.32Å; V383-T396 CarbonylContact O-C 3.56Å; V383-T396 WeakPolarHBondContact O-CA 3.1Å; K384-T396 HydrophobicContact CG-CG2 3.94Å; K384-T396 PolarHBondContact NZ-OG1 3.42Å; K384-T396 VanDerWaalsContact NZ-OG1 3.1Å; C393-T396 PolarHBondContact SG-OG1 3.06Å |
| 397 | F | 96.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 4% | 0.044 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124 | 168.7 | -55.8 | -71.9 | 0 | 0 | 0 | 108.5 | K382 V383 V385 V395 F428 L430 | K382-F397 WeakPolarHBondContact CA-O 3.35Å; V383-F397 HydrophobicContact CB-CB 4.26Å; V383-F397 HydrophobicContact CB-CD2 4.32Å; V383-F397 HydrophobicContact CG1-CD2 4.35Å; V383-F397 PolarHBondContact N-O 3.5Å; V383-F397 PolarHBondContact O-N 2.95Å; V385-F397 HydrophobicContact CG2-CE2 4.16Å; V395-F397 HydrophobicContact CG1-CD1 4.11Å; V395-F397 HydrophobicContact CG1-CD2 4.04Å; V395-F397 HydrophobicContact CG1-CE1 3.67Å; V395-F397 HydrophobicContact CG1-CE2 3.6Å; V395-F397 HydrophobicContact CG1-CG 4.29Å; V395-F397 HydrophobicContact CG1-CZ 3.4Å; V395-F397 VanDerWaalsContact CG1-CZ 3.4Å; F397-F428 HydrophobicContact CB-CD1 4.03Å; F397-F428 HydrophobicContact CB-CE1 3.65Å; F397-F428 HydrophobicContact CB-CE2 4.23Å; F397-F428 HydrophobicContact CB-CG 4.49Å; F397-F428 HydrophobicContact CB-CZ 3.77Å; F397-F428 HydrophobicContact CD1-CB 4.37Å; F397-F428 AromaticContact CD1-CD1 3.47Å; F397-F428 HydrophobicContact CD1-CD1 3.47Å; F397-F428 VanDerWaalsContact CD1-CD1 3.47Å; F397-F428 AromaticContact CD1-CE1 3.91Å; F397-F428 HydrophobicContact CD1-CE1 3.91Å; F397-F428 AromaticContact CD1-CG 3.99Å; F397-F428 HydrophobicContact CD1-CG 3.99Å; F397-F428 HydrophobicContact CD2-CB 4.11Å; F397-F428 HydrophobicContact CD2-CD1 4.02Å; F397-F428 AromaticContact CD2-CD2 3.93Å; F397-F428 HydrophobicContact CD2-CD2 3.93Å; F397-F428 HydrophobicContact CD2-CE1 4.44Å; F397-F428 HydrophobicContact CD2-CE2 4.32Å; F397-F428 AromaticContact CD2-CG 3.76Å; F397-F428 HydrophobicContact CD2-CG 3.76Å; F397-F428 HydrophobicContact CE1-CB 3.95Å; F397-F428 AromaticContact CE1-CD1 3.83Å; F397-F428 HydrophobicContact CE1-CD1 3.83Å; F397-F428 HydrophobicContact CE1-CG 4.09Å; F397-F428 HydrophobicContact CE2-CB 3.65Å; F397-F428 HydrophobicContact CE2-CD1 4.33Å; F397-F428 HydrophobicContact CE2-CD2 4.27Å; F397-F428 AromaticContact CE2-CG 3.85Å; F397-F428 HydrophobicContact CE2-CG 3.85Å; F397-F428 HydrophobicContact CG-CB 4.44Å; F397-F428 AromaticContact CG-CD1 3.57Å; F397-F428 HydrophobicContact CG-CD1 3.57Å; F397-F428 HydrophobicContact CG-CD2 4.22Å; F397-F428 AromaticContact CG-CE1 3.76Å; F397-F428 HydrophobicContact CG-CE1 3.76Å; F397-F428 HydrophobicContact CG-CE2 4.34Å; F397-F428 AromaticContact CG-CG 3.83Å; F397-F428 HydrophobicContact CG-CG 3.83Å; F397-F428 HydrophobicContact CG-CZ 4.15Å; F397-F428 HydrophobicContact CZ-CB 3.56Å; F397-F428 HydrophobicContact CZ-CD1 4.24Å; F397-F428 HydrophobicContact CZ-CG 4.01Å; F397-L430 HydrophobicContact CE2-CD2 4.22Å; F397-L430 HydrophobicContact CZ-CD2 4.2Å |
| 398 | D | 95.3 | Very high | 93 | Very high | 120 Ų | 120 | 40.5 Ų | 40.5 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | trans | -119.2 | 26.9 | -173 | 60.8 | -22.2 | 0 | 0 | 0 | 112.2 | K382 | K382-D398 HydrophobicContact CG-CB 4.33Š| ||
| 399 | E | 95.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 33% | 0.327 | 21% | 0.212 | S | C | . | . | trans | -81.9 | -20.1 | -175.8 | -62.1 | -174.3 | -156.9 | 0 | 0 | 114 | R426 F428 N435 | E399-R426 PolarHBondContact O-NH1 3.3Å; E399-R426 PolarHBondContact O-NH2 3.22Å; E399-R426 IonicContact OE2-NE 3.09Å; E399-F428 HydrophobicContact CG-CE1 4.4Å; E399-N435 WeakPolarHBondContact OE1-CB 3.36Å; E399-N435 PolarHBondContact OE1-N 3.3Å; E399-N435 WeakPolarHBondContact OE2-CB 3.33Å; E399-N435 VanDerWaalsContact OE2-CG 3.29Å; E399-N435 PolarHBondContact OE2-ND2 3.48Å | ||
| 400 | H | 96.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | trans | -76.4 | 139.5 | 177.2 | -77.2 | -77.5 | 0 | 0 | 0 | 111.3 | G381 V404 S418 S420 D422 T424 R426 | G381-H400 WeakPolarHBondContact O-CB 3.38Å; H400-V404 HydrophobicContact CB-CG2 4.19Å; H400-S418 PolarHBondContact CD2-OG 2.75Å; H400-S418 PolarHBondContact NE2-OG 3.1Å; H400-S420 VanDerWaalsContact CE1-CB 3.43Å; H400-S420 WeakPolarHBondContact CE1-CB 3.22Å; H400-S420 WeakPolarHBondContact ND1-CB 3.27Å; H400-D422 WeakPolarHBondContact CA-OD2 3.45Å; H400-D422 IonicContact CE1-OD1 3.14Å; H400-D422 IonicContact CG-OD2 2.64Å; H400-D422 IonicContact ND1-OD1 2.82Å; H400-D422 PolarHBondContact ND1-OD1 3Å; H400-D422 IonicContact ND1-OD2 3.58Å; H400-D422 PolarHBondContact ND1-OD2 3.11Å; H400-T424 PolarHBondContact CE1-OG1 2.85Å; H400-T424 PolarHBondContact ND1-OG1 2.99Å; H400-R426 VanDerWaalsContact CA-NH1 3.34Å; H400-R426 PolarHBondContact CE1-NH1 2.8Å; H400-R426 VanDerWaalsContact CE1-NH1 3.3Å; H400-R426 PolarHBondContact ND1-NH1 2.98Å | ||
| 401 | K | 94.4 | Very high | 93.9 | Very high | 197 Ų | 197 | 41.7 Ų | 41.7 | 86% | 0.857 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -97.8 | -6.8 | -179.8 | -66.4 | -172.2 | 178.3 | -176.2 | 0 | 113.7 | D422 | K401-D422 HydrophobicContact CB-CB 4.35Å; K401-D422 PolarHBondContact N-OD2 2.78Å; K401-D422 VanDerWaalsContact N-OD2 3.14Å |
| 402 | G | 92.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -140.8 | 178.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | G381 V404 S420 | G381-G402 VanDerWaalsContact CA-O 3.29Å; G381-G402 WeakPolarHBondContact CA-O 3.47Å; G402-V404 PolarHBondContact O-N 2.89Å; G402-S420 PolarHBondContact O-OG 3.48Å |
| 403 | D | 93.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | trans | -52.2 | 132.1 | -175.7 | -63.9 | 2.4 | 0 | 0 | 0 | 112.6 | Y379 S420 L421 | Y379-D403 HydrophobicContact CD1-CB 3.83Å; Y379-D403 WeakPolarHBondContact CD1-OD2 3.42Å; Y379-D403 VanDerWaalsContact O-OD1 3.12Å; D403-S420 CarbonylContact O-C 3.58Å; D403-S420 WeakPolarHBondContact O-CA 3.35Å; D403-S420 VanDerWaalsContact O-CB 3.26Å; D403-S420 WeakPolarHBondContact O-CB 3.42Å; D403-S420 PolarHBondContact O-OG 3.33Å; D403-L421 HydrophobicContact CB-CD1 3.91Å; D403-L421 HydrophobicContact CB-CG 4.14Å; D403-L421 PolarHBondContact O-N 3.15Å | ||
| 404 | V | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.7 | 172.1 | 179.5 | 0 | 0 | 0 | 0 | 108 | A363 G378 V383 H400 G402 V407 S419 | A363-V404 WeakPolarHBondContact CB-O 3.47Å; G378-V404 PolarHBondContact O-N 3.04Å; V383-V404 HydrophobicContact CG2-CG1 4.1Å; V383-V404 HydrophobicContact CG2-CG2 3.96Å; H400-V404 HydrophobicContact CB-CG2 4.19Å; G402-V404 PolarHBondContact O-N 2.89Å; V404-V407 HydrophobicContact CG1-CG2 3.89Å; V404-S419 CarbonylContact C-O 3.36Å; V404-S419 WeakPolarHBondContact CA-O 3.19Å; V404-S419 WeakPolarHBondContact CG1-O 3.45Å |
| 405 | T | 95.8 | Very high | 93.5 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -32.4 | -172.7 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | S419 L421 F447 S448 | T405-S419 PolarHBondContact N-O 3.25Å; T405-S419 PolarHBondContact OG1-O 3.46Å; T405-S419 PolarHBondContact OG1-OG 3.02Å; T405-L421 HydrophobicContact CG2-CD1 4.47Å; T405-L421 HydrophobicContact CG2-CD2 3.57Å; T405-L421 HydrophobicContact CG2-CG 3.66Å; T405-F447 WeakPolarHBondContact CB-O 3.14Å; T405-F447 WeakPolarHBondContact CG2-O 3.44Å; T405-F447 PolarHBondContact OG1-O 3.3Å; T405-S448 VanDerWaalsContact CB-O 3.3Å; T405-S448 WeakPolarHBondContact CB-O 3.39Å |
| 406 | G | 95.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S418 S419 | G406-S418 CarbonylContact O-C 3.5Å; G406-S418 VanDerWaalsContact O-CA 3.23Å; G406-S418 WeakPolarHBondContact O-CA 3.1Å; G406-S419 WeakPolarHBondContact CA-OG 3.45Å; G406-S419 PolarHBondContact N-OG 3.23Å; G406-S419 VanDerWaalsContact N-OG 3.11Å; G406-S419 PolarHBondContact O-N 3.06Å |
| 407 | V | 96.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.6 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | S364 S366 A375 V383 V404 V416 L417 | S364-V407 WeakPolarHBondContact OG-CG2 3.3Å; S364-V407 PolarHBondContact OG-N 2.97Å; S366-V407 WeakPolarHBondContact CB-O 3.43Å; A375-V407 HydrophobicContact CB-CG1 3.58Å; V383-V407 HydrophobicContact CG1-CG2 4.4Å; V404-V407 HydrophobicContact CG1-CG2 3.89Å; V407-V416 HydrophobicContact CG1-CG1 3.74Å; V407-L417 WeakPolarHBondContact CA-O 3.34Å |
| 408 | A | 95.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L417 L450 V452 | A408-L417 PolarHBondContact N-O 3.41Å; A408-L417 PolarHBondContact O-N 3.11Å; A408-L450 HydrophobicContact CB-CD2 3.87Å; A408-L450 HydrophobicContact CB-CG 4.16Å; A408-V452 HydrophobicContact CB-CG2 4.14Å |
| 409 | W | 95.1 | Very high | 93.8 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 147.8 | 173.5 | -73.2 | 75.5 | 0 | 0 | 0 | 111 | S366 P369 L373 A375 V385 V416 L430 | S366-W409 PolarHBondContact O-NE1 3.42Å; S366-W409 VanDerWaalsContact OG-CD1 3.3Å; P369-W409 HydrophobicContact CG-CB 4.49Å; L373-W409 HydrophobicContact CB-CH2 3.88Å; L373-W409 HydrophobicContact CB-CZ2 4.03Å; L373-W409 HydrophobicContact CD1-CH2 3.83Å; L373-W409 HydrophobicContact CD1-CZ3 4.48Å; A375-W409 HydrophobicContact CB-CZ2 3.85Å; V385-W409 HydrophobicContact CG1-CH2 4.06Å; V385-W409 HydrophobicContact CG1-CZ2 3.92Å; W409-V416 HydrophobicContact CD2-CG2 3.81Å; W409-V416 HydrophobicContact CE3-CG2 3.82Å; W409-V416 HydrophobicContact CH2-CG2 3.72Å; W409-V416 HydrophobicContact CZ2-CG2 3.69Å; W409-V416 HydrophobicContact CZ3-CG2 3.81Å; W409-L430 HydrophobicContact CE3-CD1 4.15Å; W409-L430 HydrophobicContact CH2-CD1 3.3Å; W409-L430 HydrophobicContact CZ2-CD1 4.48Å; W409-L430 HydrophobicContact CZ3-CD1 3.1Å |
| 410 | T | 93.2 | Very high | 93.9 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | trans | -71.9 | 145.1 | 162.1 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | P369 A412 G413 S415 L417 | P369-T410 WeakPolarHBondContact CG-O 3.3Å; T410-A412 PolarHBondContact O-N 3.49Å; T410-A412 VanDerWaalsContact O-N 3.13Å; T410-G413 WeakPolarHBondContact O-CA 3.39Å; T410-G413 PolarHBondContact O-N 3.18Å; T410-S415 PolarHBondContact N-O 2.96Å; T410-S415 VanDerWaalsContact N-O 3.15Å; T410-S415 PolarHBondContact OG1-N 3.46Å; T410-S415 PolarHBondContact OG1-O 3.33Å; T410-L417 HydrophobicContact CG2-CD1 3.62Å | ||
| 411 | Q | 87 | Confident | 93.9 | Very high | 114 Ų | 114 | 35.8 Ų | 35.8 | 53% | 0.533 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.1 | 179.8 | -63.5 | -58.9 | -19 | 0 | 0 | 113.4 | P369 G413 S454 | P369-Q411 WeakPolarHBondContact CB-O 3.44Å; P369-Q411 WeakPolarHBondContact CG-O 3.44Å; Q411-G413 PolarHBondContact O-N 3.17Å; Q411-S454 VanDerWaalsContact CB-O 3.26Å; Q411-S454 WeakPolarHBondContact CB-O 3.26Å; Q411-S454 WeakPolarHBondContact CG-O 3.45Å |
| 412 | A | 86.2 | Confident | 93.9 | Very high | 66 Ų | 66 | 28.6 Ų | 28.6 | 55% | 0.545 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T410 K414 | T410-A412 PolarHBondContact O-N 3.49Å; T410-A412 VanDerWaalsContact O-N 3.13Å; A412-K414 VanDerWaalsContact C-N 3.27Å; A412-K414 HydrophobicContact CB-CD 4.47Å; A412-K414 HydrophobicContact CB-CG 4.39Å; A412-K414 PolarHBondContact O-N 3.48Å |
| 413 | G | 86.8 | Confident | 94.1 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 17% | 0.165 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 66.3 | 24.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T410 Q411 | T410-G413 WeakPolarHBondContact O-CA 3.39Å; T410-G413 PolarHBondContact O-N 3.18Å; Q411-G413 PolarHBondContact O-N 3.17Å |
| 414 | K | 88.4 | Confident | 94.2 | Very high | 145 Ų | 145 | 26.9 Ų | 26.9 | 63% | 0.63 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -100.9 | -24.2 | -179.2 | -66.5 | 178.4 | -175.7 | 170.1 | 0 | 112.9 | A412 L430 | A412-K414 VanDerWaalsContact C-N 3.27Å; A412-K414 HydrophobicContact CB-CD 4.47Å; A412-K414 HydrophobicContact CB-CG 4.39Å; A412-K414 PolarHBondContact O-N 3.48Å; K414-L430 PolarHBondContact O-N 3.18Å |
| 415 | S | 93.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 12% | 0.119 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.8 | -173.2 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | T410 F428 | T410-S415 PolarHBondContact N-O 2.96Å; T410-S415 VanDerWaalsContact N-O 3.15Å; T410-S415 PolarHBondContact OG1-N 3.46Å; T410-S415 PolarHBondContact OG1-O 3.33Å; S415-F428 CarbonylContact C-O 3.57Å; S415-F428 WeakPolarHBondContact CA-O 3.36Å; S415-F428 WeakPolarHBondContact CB-O 3.16Å |
| 416 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.5 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | A375 V383 V407 W409 A427 F428 L430 | A375-V416 HydrophobicContact CB-CG1 3.92Å; A375-V416 HydrophobicContact CB-CG2 4.43Å; V383-V416 HydrophobicContact CG1-CG1 4.34Å; V407-V416 HydrophobicContact CG1-CG1 3.74Å; W409-V416 HydrophobicContact CD2-CG2 3.81Å; W409-V416 HydrophobicContact CE3-CG2 3.82Å; W409-V416 HydrophobicContact CH2-CG2 3.72Å; W409-V416 HydrophobicContact CZ2-CG2 3.69Å; W409-V416 HydrophobicContact CZ3-CG2 3.81Å; V416-A427 CarbonylContact O-C 3.6Å; V416-A427 WeakPolarHBondContact O-CA 3.38Å; V416-F428 PolarHBondContact N-O 2.96Å; V416-F428 PolarHBondContact O-N 2.7Å; V416-L430 HydrophobicContact CG2-CD1 3.86Å; V416-L430 HydrophobicContact CG2-CD2 4.13Å; V416-L430 HydrophobicContact CG2-CG 4.14Å |
| 417 | L | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 148.1 | 173.7 | -63.1 | 90.6 | 0 | 0 | 0 | 109.8 | V407 A408 T410 R426 A427 F439 L450 V452 V459 M474 | V407-L417 WeakPolarHBondContact CA-O 3.34Å; A408-L417 PolarHBondContact N-O 3.41Å; A408-L417 PolarHBondContact O-N 3.11Å; T410-L417 HydrophobicContact CG2-CD1 3.62Å; L417-R426 CarbonylContact C-O 3.56Å; L417-R426 WeakPolarHBondContact CA-O 3.42Å; L417-A427 HydrophobicContact CD2-CB 4.12Å; L417-A427 HydrophobicContact CG-CB 3.9Å; L417-F439 HydrophobicContact CD2-CE2 4.36Å; L417-L450 HydrophobicContact CB-CD2 3.76Å; L417-L450 WeakPolarHBondContact O-CD2 3.38Å; L417-V452 HydrophobicContact CD1-CG2 3.9Å; L417-V452 HydrophobicContact CD2-CG2 3.97Å; L417-V452 HydrophobicContact CG-CG2 4.35Å; L417-V459 HydrophobicContact CD2-CB 4.21Å; L417-V459 HydrophobicContact CD2-CG1 3.67Å; L417-V459 HydrophobicContact CD2-CG2 3.41Å; L417-V459 VanDerWaalsContact CD2-CG2 3.41Å; L417-M474 HydrophobicContact CD2-CE 4.49Å; L417-M474 HydrophobicContact CD2-SD 3.91Å |
| 418 | S | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139.7 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | H400 G406 V425 R426 F428 | H400-S418 PolarHBondContact CD2-OG 2.75Å; H400-S418 PolarHBondContact NE2-OG 3.1Å; G406-S418 CarbonylContact O-C 3.5Å; G406-S418 VanDerWaalsContact O-CA 3.23Å; G406-S418 WeakPolarHBondContact O-CA 3.1Å; S418-V425 CarbonylContact O-C 3.36Å; S418-V425 VanDerWaalsContact O-CA 3.22Å; S418-V425 WeakPolarHBondContact O-CA 3.18Å; S418-V425 WeakPolarHBondContact O-CG1 3.34Å; S418-R426 PolarHBondContact N-O 3.1Å; S418-R426 PolarHBondContact O-N 2.96Å; S418-F428 VanDerWaalsContact OG-CE2 3.24Å; S418-F428 WeakPolarHBondContact OG-CE2 3.44Å |
| 419 | S | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 149.6 | 169.3 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | V404 T405 G406 | V404-S419 CarbonylContact C-O 3.36Å; V404-S419 WeakPolarHBondContact CA-O 3.19Å; V404-S419 WeakPolarHBondContact CG1-O 3.45Å; T405-S419 PolarHBondContact N-O 3.25Å; T405-S419 PolarHBondContact OG1-O 3.46Å; T405-S419 PolarHBondContact OG1-OG 3.02Å; G406-S419 WeakPolarHBondContact CA-OG 3.45Å; G406-S419 PolarHBondContact N-OG 3.23Å; G406-S419 VanDerWaalsContact N-OG 3.11Å; G406-S419 PolarHBondContact O-N 3.06Å |
| 420 | S | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159 | -179.5 | 173.3 | 0 | 0 | 0 | 0 | 112.9 | H400 G402 D403 D422 G423 T424 F447 | H400-S420 VanDerWaalsContact CE1-CB 3.43Å; H400-S420 WeakPolarHBondContact CE1-CB 3.22Å; H400-S420 WeakPolarHBondContact ND1-CB 3.27Å; G402-S420 PolarHBondContact O-OG 3.48Å; D403-S420 CarbonylContact O-C 3.58Å; D403-S420 WeakPolarHBondContact O-CA 3.35Å; D403-S420 VanDerWaalsContact O-CB 3.26Å; D403-S420 WeakPolarHBondContact O-CB 3.42Å; D403-S420 PolarHBondContact O-OG 3.33Å; S420-D422 VanDerWaalsContact CB-OD1 3.3Å; S420-D422 WeakPolarHBondContact CB-OD1 3.48Å; S420-D422 PolarHBondContact O-N 2.88Å; S420-D422 PolarHBondContact OG-N 3.37Å; S420-D422 VanDerWaalsContact OG-N 3.1Å; S420-D422 PolarHBondContact OG-OD1 3.19Å; S420-G423 PolarHBondContact O-N 2.99Å; S420-T424 PolarHBondContact N-O 3.09Å; S420-F447 PolarHBondContact O-N 2.94Å |
| 421 | L | 95 | Very high | 93.9 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.6 | 169.5 | -57.6 | -175.2 | 0 | 0 | 0 | 112.9 | D403 T405 G423 Q446 | D403-L421 HydrophobicContact CB-CD1 3.91Å; D403-L421 HydrophobicContact CB-CG 4.14Å; D403-L421 PolarHBondContact O-N 3.15Å; T405-L421 HydrophobicContact CG2-CD1 4.47Å; T405-L421 HydrophobicContact CG2-CD2 3.57Å; T405-L421 HydrophobicContact CG2-CG 3.66Å; L421-G423 PolarHBondContact O-N 3.28Å; L421-Q446 HydrophobicContact CD2-CB 4.03Å |
| 422 | D | 95.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.6 | 168.6 | 76 | -1.1 | 0 | 0 | 0 | 113.7 | H400 K401 S420 T424 R426 | H400-D422 WeakPolarHBondContact CA-OD2 3.45Å; H400-D422 IonicContact CE1-OD1 3.14Å; H400-D422 IonicContact CG-OD2 2.64Å; H400-D422 IonicContact ND1-OD1 2.82Å; H400-D422 PolarHBondContact ND1-OD1 3Å; H400-D422 IonicContact ND1-OD2 3.58Å; H400-D422 PolarHBondContact ND1-OD2 3.11Å; K401-D422 HydrophobicContact CB-CB 4.35Å; K401-D422 PolarHBondContact N-OD2 2.78Å; K401-D422 VanDerWaalsContact N-OD2 3.14Å; S420-D422 VanDerWaalsContact CB-OD1 3.3Å; S420-D422 WeakPolarHBondContact CB-OD1 3.48Å; S420-D422 PolarHBondContact O-N 2.88Å; S420-D422 PolarHBondContact OG-N 3.37Å; S420-D422 VanDerWaalsContact OG-N 3.1Å; S420-D422 PolarHBondContact OG-OD1 3.19Å; D422-T424 WeakPolarHBondContact OD1-CB 3.46Å; D422-T424 PolarHBondContact OD1-N 3.23Å; D422-T424 PolarHBondContact OD1-OG1 2.61Å; D422-T424 PolarHBondContact OD2-OG1 3.3Å; D422-R426 IonicContact OD1-NH1 3.64Å; D422-R426 IonicContact OD2-CZ 3.21Å; D422-R426 IonicContact OD2-NH1 2.84Å; D422-R426 PolarHBondContact OD2-NH1 2.88Å; D422-R426 IonicContact OD2-NH2 2.73Å |
| 423 | G | 95.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 78.4 | 24 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S420 L421 V445 F447 | S420-G423 PolarHBondContact O-N 2.99Å; L421-G423 PolarHBondContact O-N 3.28Å; G423-V445 WeakPolarHBondContact CA-O 3.47Å; G423-F447 VanDerWaalsContact O-CE2 3.25Å; G423-F447 WeakPolarHBondContact O-CE2 3.2Å |
| 424 | T | 96.8 | Very high | 95 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.1 | 173.9 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | H400 S420 D422 R426 T438 V440 | H400-T424 PolarHBondContact CE1-OG1 2.85Å; H400-T424 PolarHBondContact ND1-OG1 2.99Å; S420-T424 PolarHBondContact N-O 3.09Å; D422-T424 WeakPolarHBondContact OD1-CB 3.46Å; D422-T424 PolarHBondContact OD1-N 3.23Å; D422-T424 PolarHBondContact OD1-OG1 2.61Å; D422-T424 PolarHBondContact OD2-OG1 3.3Å; T424-R426 PolarHBondContact OG1-NH1 3.36Å; T424-T438 HydrophobicContact CG2-CG2 4.07Å; T424-V440 HydrophobicContact CG2-CG2 4.25Å |
| 425 | V | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.4 | 161.2 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | S418 T438 F439 F447 L450 V459 A461 W472 | S418-V425 CarbonylContact O-C 3.36Å; S418-V425 VanDerWaalsContact O-CA 3.22Å; S418-V425 WeakPolarHBondContact O-CA 3.18Å; S418-V425 WeakPolarHBondContact O-CG1 3.34Å; V425-T438 CarbonylContact O-C 3.58Å; V425-T438 WeakPolarHBondContact O-CA 3.24Å; V425-F439 HydrophobicContact CB-CB 4.17Å; V425-F439 HydrophobicContact CB-CD2 4.13Å; V425-F439 HydrophobicContact CG1-CD2 4.03Å; V425-F439 PolarHBondContact N-O 3.42Å; V425-F439 WeakPolarHBondContact O-CD2 3.47Å; V425-F439 PolarHBondContact O-N 2.86Å; V425-F447 HydrophobicContact CG2-CD2 3.79Å; V425-F447 HydrophobicContact CG2-CE2 4.09Å; V425-F447 HydrophobicContact CG2-CG 4.21Å; V425-L450 HydrophobicContact CG1-CD1 3.6Å; V425-L450 HydrophobicContact CG2-CD1 4.48Å; V425-V459 HydrophobicContact CG1-CG1 4.14Å; V425-A461 HydrophobicContact CG2-CB 3.7Å; V425-W472 HydrophobicContact CG2-CH2 4.28Å; V425-W472 HydrophobicContact CG2-CZ3 4.21Å |
| 426 | R | 97.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.4 | -179.8 | -68.8 | -175.2 | 166.7 | 92 | -2.6 | 110.5 | E399 H400 L417 S418 D422 T424 F428 N435 R437 T438 | E399-R426 PolarHBondContact O-NH1 3.3Å; E399-R426 PolarHBondContact O-NH2 3.22Å; E399-R426 IonicContact OE2-NE 3.09Å; H400-R426 VanDerWaalsContact CA-NH1 3.34Å; H400-R426 PolarHBondContact CE1-NH1 2.8Å; H400-R426 VanDerWaalsContact CE1-NH1 3.3Å; H400-R426 PolarHBondContact ND1-NH1 2.98Å; L417-R426 CarbonylContact C-O 3.56Å; L417-R426 WeakPolarHBondContact CA-O 3.42Å; S418-R426 PolarHBondContact N-O 3.1Å; S418-R426 PolarHBondContact O-N 2.96Å; D422-R426 IonicContact OD1-NH1 3.64Å; D422-R426 IonicContact OD2-CZ 3.21Å; D422-R426 IonicContact OD2-NH1 2.84Å; D422-R426 PolarHBondContact OD2-NH1 2.88Å; D422-R426 IonicContact OD2-NH2 2.73Å; T424-R426 PolarHBondContact OG1-NH1 3.36Å; R426-F428 HydrophobicContact CB-CE1 4.36Å; R426-F428 HydrophobicContact CB-CE2 4.01Å; R426-F428 HydrophobicContact CB-CZ 3.75Å; R426-N435 VanDerWaalsContact CD-ND2 3.27Å; R426-N435 WeakPolarHBondContact CD-ND2 3.38Å; R426-N435 WeakPolarHBondContact CG-ND2 3.45Å; R426-R437 CarbonylContact C-O 3.57Å; R426-R437 WeakPolarHBondContact CA-O 3.49Å; R426-T438 HydrophobicContact CG-CG2 4.19Å |
| 427 | A | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V416 L417 N435 F436 R437 F439 M474 | V416-A427 CarbonylContact O-C 3.6Å; V416-A427 WeakPolarHBondContact O-CA 3.38Å; L417-A427 HydrophobicContact CD2-CB 4.12Å; L417-A427 HydrophobicContact CG-CB 3.9Å; A427-N435 WeakPolarHBondContact O-CA 3.44Å; A427-N435 PolarHBondContact O-OD1 3.33Å; A427-F436 HydrophobicContact CB-CD1 4.44Å; A427-F436 HydrophobicContact CB-CE1 3.84Å; A427-F436 HydrophobicContact CB-CZ 4.05Å; A427-F436 WeakPolarHBondContact O-CD1 3.38Å; A427-F436 PolarHBondContact O-N 3.24Å; A427-R437 HydrophobicContact CB-CB 4.07Å; A427-R437 PolarHBondContact N-O 3.27Å; A427-R437 PolarHBondContact O-N 3.02Å; A427-F439 HydrophobicContact CB-CE2 4.28Å; A427-M474 HydrophobicContact CB-CE 3.27Å; A427-M474 HydrophobicContact CB-SD 4.33Å |
| 428 | F | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.6 | -175.6 | -55.4 | -76 | 0 | 0 | 0 | 110.8 | V383 F397 E399 S415 V416 S418 R426 R434 N435 | V383-F428 HydrophobicContact CB-CE2 4.43Å; V383-F428 HydrophobicContact CG2-CE2 4.16Å; F397-F428 HydrophobicContact CB-CD1 4.03Å; F397-F428 HydrophobicContact CB-CE1 3.65Å; F397-F428 HydrophobicContact CB-CE2 4.23Å; F397-F428 HydrophobicContact CB-CG 4.49Å; F397-F428 HydrophobicContact CB-CZ 3.77Å; F397-F428 HydrophobicContact CD1-CB 4.37Å; F397-F428 AromaticContact CD1-CD1 3.47Å; F397-F428 HydrophobicContact CD1-CD1 3.47Å; F397-F428 VanDerWaalsContact CD1-CD1 3.47Å; F397-F428 AromaticContact CD1-CE1 3.91Å; F397-F428 HydrophobicContact CD1-CE1 3.91Å; F397-F428 AromaticContact CD1-CG 3.99Å; F397-F428 HydrophobicContact CD1-CG 3.99Å; F397-F428 HydrophobicContact CD2-CB 4.11Å; F397-F428 HydrophobicContact CD2-CD1 4.02Å; F397-F428 AromaticContact CD2-CD2 3.93Å; F397-F428 HydrophobicContact CD2-CD2 3.93Å; F397-F428 HydrophobicContact CD2-CE1 4.44Å; F397-F428 HydrophobicContact CD2-CE2 4.32Å; F397-F428 AromaticContact CD2-CG 3.76Å; F397-F428 HydrophobicContact CD2-CG 3.76Å; F397-F428 HydrophobicContact CE1-CB 3.95Å; F397-F428 AromaticContact CE1-CD1 3.83Å; F397-F428 HydrophobicContact CE1-CD1 3.83Å; F397-F428 HydrophobicContact CE1-CG 4.09Å; F397-F428 HydrophobicContact CE2-CB 3.65Å; F397-F428 HydrophobicContact CE2-CD1 4.33Å; F397-F428 HydrophobicContact CE2-CD2 4.27Å; F397-F428 AromaticContact CE2-CG 3.85Å; F397-F428 HydrophobicContact CE2-CG 3.85Å; F397-F428 HydrophobicContact CG-CB 4.44Å; F397-F428 AromaticContact CG-CD1 3.57Å; F397-F428 HydrophobicContact CG-CD1 3.57Å; F397-F428 HydrophobicContact CG-CD2 4.22Å; F397-F428 AromaticContact CG-CE1 3.76Å; F397-F428 HydrophobicContact CG-CE1 3.76Å; F397-F428 HydrophobicContact CG-CE2 4.34Å; F397-F428 AromaticContact CG-CG 3.83Å; F397-F428 HydrophobicContact CG-CG 3.83Å; F397-F428 HydrophobicContact CG-CZ 4.15Å; F397-F428 HydrophobicContact CZ-CB 3.56Å; F397-F428 HydrophobicContact CZ-CD1 4.24Å; F397-F428 HydrophobicContact CZ-CG 4.01Å; E399-F428 HydrophobicContact CG-CE1 4.4Å; S415-F428 CarbonylContact C-O 3.57Å; S415-F428 WeakPolarHBondContact CA-O 3.36Å; S415-F428 WeakPolarHBondContact CB-O 3.16Å; V416-F428 PolarHBondContact N-O 2.96Å; V416-F428 PolarHBondContact O-N 2.7Å; S418-F428 VanDerWaalsContact OG-CE2 3.24Å; S418-F428 WeakPolarHBondContact OG-CE2 3.44Å; R426-F428 HydrophobicContact CB-CE1 4.36Å; R426-F428 HydrophobicContact CB-CE2 4.01Å; R426-F428 HydrophobicContact CB-CZ 3.75Å; F428-R434 WeakPolarHBondContact CA-O 3.28Å; F428-N435 HydrophobicContact CD1-CB 3.83Å; F428-N435 HydrophobicContact CE1-CB 3.8Å |
| 429 | D | 94.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.6 | 171.9 | 177.4 | 11.1 | 0 | 0 | 0 | 109.5 | K431 Y433 R434 F436 | D429-K431 VanDerWaalsContact C-N 3.31Å; D429-K431 PolarHBondContact O-N 2.97Å; D429-K431 WeakPolarHBondContact OD1-CB 3.18Å; D429-K431 PolarHBondContact OD1-N 2.64Å; D429-Y433 VanDerWaalsContact O-CA 3.23Å; D429-Y433 WeakPolarHBondContact O-CA 3.36Å; D429-Y433 PolarHBondContact O-N 3.22Å; D429-R434 PolarHBondContact N-O 2.76Å; D429-F436 HydrophobicContact CB-CD1 3.83Å; D429-F436 HydrophobicContact CB-CE1 4.2Å |
| 430 | L | 91 | Very high | 95.2 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.7 | 179.9 | -66.1 | 176 | 0 | 0 | 0 | 114.2 | V385 F397 W409 K414 V416 Y433 | V385-L430 HydrophobicContact CG2-CD2 4.24Å; F397-L430 HydrophobicContact CE2-CD2 4.22Å; F397-L430 HydrophobicContact CZ-CD2 4.2Å; W409-L430 HydrophobicContact CE3-CD1 4.15Å; W409-L430 HydrophobicContact CH2-CD1 3.3Å; W409-L430 HydrophobicContact CZ2-CD1 4.48Å; W409-L430 HydrophobicContact CZ3-CD1 3.1Å; K414-L430 PolarHBondContact O-N 3.18Å; V416-L430 HydrophobicContact CG2-CD1 3.86Å; V416-L430 HydrophobicContact CG2-CD2 4.13Å; V416-L430 HydrophobicContact CG2-CG 4.14Å; L430-Y433 WeakPolarHBondContact O-CE1 3.25Å |
| 431 | K | 89.6 | Confident | 95.1 | Very high | 184 Ų | 184 | 54 Ų | 54 | 80% | 0.8 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -37 | 172.8 | -172.5 | 174.7 | 179.5 | 179 | 0 | 111.7 | D429 | D429-K431 VanDerWaalsContact C-N 3.31Å; D429-K431 PolarHBondContact O-N 2.97Å; D429-K431 WeakPolarHBondContact OD1-CB 3.18Å; D429-K431 PolarHBondContact OD1-N 2.64Å |
| 432 | R | 92.7 | Very high | 94.9 | Very high | 165 Ų | 165 | 57.3 Ų | 57.3 | 62% | 0.623 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -4.9 | -175.9 | -64.6 | -177 | 176.7 | -171.8 | 1 | 113.9 | R434 | R432-R434 VanDerWaalsContact C-N 3.33Å; R432-R434 HydrophobicContact CB-CG 4.24Å; R432-R434 PolarHBondContact O-N 3.27Å |
| 433 | Y | 94.2 | Very high | 94.7 | Very high | 132 Ų | 132 | 61.4 Ų | 61.4 | 52% | 0.518 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 47.9 | 179.1 | -50.8 | -58.9 | 0 | 0 | 0 | 113.5 | F394 V395 D429 L430 | F394-Y433 HydrophobicContact CE2-CE1 4.26Å; V395-Y433 HydrophobicContact CB-CD1 4.48Å; V395-Y433 HydrophobicContact CG1-CD1 4.23Å; V395-Y433 HydrophobicContact CG2-CD1 3.37Å; V395-Y433 HydrophobicContact CG2-CE1 3.31Å; V395-Y433 HydrophobicContact CG2-CG 4.24Å; D429-Y433 VanDerWaalsContact O-CA 3.23Å; D429-Y433 WeakPolarHBondContact O-CA 3.36Å; D429-Y433 PolarHBondContact O-N 3.22Å; L430-Y433 WeakPolarHBondContact O-CE1 3.25Å |
| 434 | R | 95.1 | Very high | 94.6 | Very high | 129 Ų | 129 | 66 Ų | 66 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.5 | 177 | 68.4 | -179.9 | -174.1 | 166 | 6.4 | 110.6 | F428 D429 R432 F436 | F428-R434 WeakPolarHBondContact CA-O 3.28Å; D429-R434 PolarHBondContact N-O 2.76Å; R432-R434 VanDerWaalsContact C-N 3.33Å; R432-R434 HydrophobicContact CB-CG 4.24Å; R432-R434 PolarHBondContact O-N 3.27Å; R434-F436 PolarHBondContact O-N 2.97Å |
| 435 | N | 95.8 | Very high | 94.5 | Very high | 26 Ų | 26 | 65.3 Ų | 65.3 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 125 | 158 | 179.4 | -10.6 | 0 | 0 | 0 | 109.3 | E399 R426 A427 F428 R437 T438 | E399-N435 WeakPolarHBondContact OE1-CB 3.36Å; E399-N435 PolarHBondContact OE1-N 3.3Å; E399-N435 WeakPolarHBondContact OE2-CB 3.33Å; E399-N435 VanDerWaalsContact OE2-CG 3.29Å; E399-N435 PolarHBondContact OE2-ND2 3.48Å; R426-N435 VanDerWaalsContact CD-ND2 3.27Å; R426-N435 WeakPolarHBondContact CD-ND2 3.38Å; R426-N435 WeakPolarHBondContact CG-ND2 3.45Å; A427-N435 WeakPolarHBondContact O-CA 3.44Å; A427-N435 PolarHBondContact O-OD1 3.33Å; F428-N435 HydrophobicContact CD1-CB 3.83Å; F428-N435 HydrophobicContact CE1-CB 3.8Å; N435-R437 PolarHBondContact OD1-N 3.05Å; N435-R437 PolarHBondContact OD1-O 3.19Å; N435-T438 PolarHBondContact ND2-OG1 2.88Å |
| 436 | F | 94.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 68.7 Ų | 68.7 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -13.3 | 176.3 | 72 | -81.9 | 0 | 0 | 0 | 112.6 | A427 D429 R434 M474 | A427-F436 HydrophobicContact CB-CD1 4.44Å; A427-F436 HydrophobicContact CB-CE1 3.84Å; A427-F436 HydrophobicContact CB-CZ 4.05Å; A427-F436 WeakPolarHBondContact O-CD1 3.38Å; A427-F436 PolarHBondContact O-N 3.24Å; D429-F436 HydrophobicContact CB-CD1 3.83Å; D429-F436 HydrophobicContact CB-CE1 4.2Å; R434-F436 PolarHBondContact O-N 2.97Å; F436-M474 HydrophobicContact CE1-CE 4Å; F436-M474 HydrophobicContact CE2-CE 3.38Å; F436-M474 HydrophobicContact CZ-CE 3.05Å |
| 437 | R | 95.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 127.4 | 173.4 | -73.6 | -54.9 | -25.3 | 163.9 | 15.1 | 111 | R426 A427 N435 F439 M474 | R426-R437 CarbonylContact C-O 3.57Å; R426-R437 WeakPolarHBondContact CA-O 3.49Å; A427-R437 HydrophobicContact CB-CB 4.07Å; A427-R437 PolarHBondContact N-O 3.27Å; A427-R437 PolarHBondContact O-N 3.02Å; N435-R437 PolarHBondContact OD1-N 3.05Å; N435-R437 PolarHBondContact OD1-O 3.19Å; R437-F439 HydrophobicContact CB-CE1 4.38Å; R437-F439 HydrophobicContact CB-CE2 3.91Å; R437-F439 HydrophobicContact CB-CZ 3.76Å; R437-F439 HydrophobicContact CG-CZ 4.12Å; R437-M474 HydrophobicContact CB-CE 4.43Å; R437-M474 HydrophobicContact CG-CE 4.3Å |
| 438 | T | 96.6 | Very high | 94.3 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.4 | 160.8 | -53.7 | 0 | 0 | 0 | 0 | 107.8 | T424 V425 R426 N435 V440 | T424-T438 HydrophobicContact CG2-CG2 4.07Å; V425-T438 CarbonylContact O-C 3.58Å; V425-T438 WeakPolarHBondContact O-CA 3.24Å; R426-T438 HydrophobicContact CG-CG2 4.19Å; N435-T438 PolarHBondContact ND2-OG1 2.88Å; T438-V440 HydrophobicContact CG2-CG2 4.08Å |
| 439 | F | 96.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.5 | 175.2 | -50.3 | -82 | 0 | 0 | 0 | 108.3 | L417 V425 A427 R437 V459 W472 M474 | L417-F439 HydrophobicContact CD2-CE2 4.36Å; V425-F439 HydrophobicContact CB-CB 4.17Å; V425-F439 HydrophobicContact CB-CD2 4.13Å; V425-F439 HydrophobicContact CG1-CD2 4.03Å; V425-F439 PolarHBondContact N-O 3.42Å; V425-F439 WeakPolarHBondContact O-CD2 3.47Å; V425-F439 PolarHBondContact O-N 2.86Å; A427-F439 HydrophobicContact CB-CE2 4.28Å; R437-F439 HydrophobicContact CB-CE1 4.38Å; R437-F439 HydrophobicContact CB-CE2 3.91Å; R437-F439 HydrophobicContact CB-CZ 3.76Å; R437-F439 HydrophobicContact CG-CZ 4.12Å; F439-V459 HydrophobicContact CE2-CG2 4.3Å; F439-V459 HydrophobicContact CZ-CG2 4.29Å; F439-W472 HydrophobicContact CB-CD2 3.79Å; F439-W472 HydrophobicContact CB-CE3 4.34Å; F439-W472 HydrophobicContact CB-CG 3.87Å; F439-W472 HydrophobicContact CB-CZ2 4.34Å; F439-W472 HydrophobicContact CD1-CB 3.47Å; F439-W472 VanDerWaalsContact CD1-CB 3.47Å; F439-W472 AromaticContact CD1-CD1 3.85Å; F439-W472 HydrophobicContact CD1-CD2 4.36Å; F439-W472 AromaticContact CD1-CG 3.63Å; F439-W472 HydrophobicContact CD1-CG 3.63Å; F439-W472 HydrophobicContact CE1-CB 3.82Å; F439-W472 HydrophobicContact CE1-CG 4.46Å; F439-W472 HydrophobicContact CG-CB 4.14Å; F439-W472 HydrophobicContact CG-CD2 4.25Å; F439-W472 AromaticContact CG-CG 3.99Å; F439-W472 HydrophobicContact CG-CG 3.99Å; F439-M474 HydrophobicContact CE2-SD 4.02Å; F439-M474 HydrophobicContact CZ-CE 4.33Å; F439-M474 HydrophobicContact CZ-SD 3.62Å |
| 440 | V | 96 | Very high | 94.4 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.3 | -176.3 | -169.1 | 0 | 0 | 0 | 0 | 107.2 | T424 T438 W472 | T424-V440 HydrophobicContact CG2-CG2 4.25Å; T438-V440 HydrophobicContact CG2-CG2 4.08Å; V440-W472 PolarHBondContact O-NE1 2.77Å |
| 441 | A | 93.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | trans | -76.7 | 157.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | E443 V445 F447 Y470 | A441-E443 CarbonylContact C-O 3.58Å; A441-E443 WeakPolarHBondContact CB-O 3.26Å; A441-E443 PolarHBondContact O-N 2.9Å; A441-V445 HydrophobicContact CB-CB 4.49Å; A441-V445 HydrophobicContact CB-CG2 4.27Å; A441-F447 HydrophobicContact CB-CZ 3.98Å; A441-Y470 HydrophobicContact CB-CD1 3.86Å; A441-Y470 HydrophobicContact CB-CE1 3.6Å; A441-Y470 HydrophobicContact CB-CG 4.46Å | ||
| 442 | P | 91.5 | Very high | 94.8 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -61.4 | -30.9 | 175.9 | -22.7 | 34.5 | 0 | 0 | 0 | 112.8 | L479 | P442-L479 HydrophobicContact CG-CD2 3.79Š|
| 443 | E | 91.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -106.3 | 155.8 | 174.5 | -63.8 | 178.4 | 174.6 | 0 | 0 | 109.8 | A441 V445 | A441-E443 CarbonylContact C-O 3.58Å; A441-E443 WeakPolarHBondContact CB-O 3.26Å; A441-E443 PolarHBondContact O-N 2.9Å; E443-V445 HydrophobicContact CB-CG2 4.45Å; E443-V445 PolarHBondContact O-N 2.85Å; E443-V445 VanDerWaalsContact O-N 3.17Å |
| 444 | A | 92.8 | Very high | 94.5 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | trans | -71.5 | 110 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 445 | V | 94.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | trans | -129 | 140 | -177.4 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | G423 A441 E443 F447 V466 Y470 | G423-V445 WeakPolarHBondContact CA-O 3.47Å; A441-V445 HydrophobicContact CB-CB 4.49Å; A441-V445 HydrophobicContact CB-CG2 4.27Å; E443-V445 HydrophobicContact CB-CG2 4.45Å; E443-V445 PolarHBondContact O-N 2.85Å; E443-V445 VanDerWaalsContact O-N 3.17Å; V445-F447 HydrophobicContact CB-CE1 4.41Å; V445-F447 HydrophobicContact CG1-CD1 4.42Å; V445-F447 HydrophobicContact CG1-CE1 4.2Å; V445-V466 HydrophobicContact CG1-CB 4.11Å; V445-V466 HydrophobicContact CG2-CB 3.85Å; V445-V466 HydrophobicContact CG2-CG2 3.73Å; V445-Y470 HydrophobicContact CG1-CE2 4.21Å; V445-Y470 HydrophobicContact CG2-CE2 4.34Å | ||
| 446 | Q | 95.4 | Very high | 93.9 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | trans | -86.6 | 128.1 | 169.9 | -60 | -174.3 | -1.2 | 0 | 0 | 110.4 | L421 G463 R464 D465 | L421-Q446 HydrophobicContact CD2-CB 4.03Å; Q446-G463 WeakPolarHBondContact O-CA 3.1Å; Q446-R464 HydrophobicContact CB-CB 4.42Å; Q446-R464 PolarHBondContact O-N 3.16Å; Q446-D465 VanDerWaalsContact CG-OD2 3.3Å; Q446-D465 WeakPolarHBondContact CG-OD2 3.48Å | ||
| 447 | F | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.3 | -179.8 | -62.1 | -59.5 | 0 | 0 | 0 | 111.5 | T405 S420 G423 V425 A441 V445 A461 G462 Y470 W472 | T405-F447 WeakPolarHBondContact CB-O 3.14Å; T405-F447 WeakPolarHBondContact CG2-O 3.44Å; T405-F447 PolarHBondContact OG1-O 3.3Å; S420-F447 PolarHBondContact O-N 2.94Å; G423-F447 VanDerWaalsContact O-CE2 3.25Å; G423-F447 WeakPolarHBondContact O-CE2 3.2Å; V425-F447 HydrophobicContact CG2-CD2 3.79Å; V425-F447 HydrophobicContact CG2-CE2 4.09Å; V425-F447 HydrophobicContact CG2-CG 4.21Å; A441-F447 HydrophobicContact CB-CZ 3.98Å; V445-F447 HydrophobicContact CB-CE1 4.41Å; V445-F447 HydrophobicContact CG1-CD1 4.42Å; V445-F447 HydrophobicContact CG1-CE1 4.2Å; F447-A461 HydrophobicContact CB-CB 4.42Å; F447-A461 HydrophobicContact CD1-CB 3.81Å; F447-A461 HydrophobicContact CE1-CB 4.31Å; F447-A461 HydrophobicContact CG-CB 4.12Å; F447-G462 WeakPolarHBondContact CA-O 3.23Å; F447-Y470 AromaticContact CE1-CD2 3.73Å; F447-Y470 HydrophobicContact CE1-CD2 3.73Å; F447-Y470 HydrophobicContact CE1-CE2 4.22Å; F447-Y470 HydrophobicContact CE1-CG 4.26Å; F447-W472 AromaticContact CE1-CH2 3.76Å; F447-W472 HydrophobicContact CE1-CH2 3.76Å; F447-W472 HydrophobicContact CE1-CZ2 4.42Å; F447-W472 HydrophobicContact CE2-CH2 4.18Å; F447-W472 AromaticContact CZ-CH2 3.52Å; F447-W472 HydrophobicContact CZ-CH2 3.52Å; F447-W472 AromaticContact CZ-CZ2 3.85Å; F447-W472 HydrophobicContact CZ-CZ2 3.85Å |
| 448 | S | 95 | Very high | 93.7 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -31.7 | -178.2 | 45 | 0 | 0 | 0 | 0 | 113.4 | T405 G462 V490 | T405-S448 VanDerWaalsContact CB-O 3.3Å; T405-S448 WeakPolarHBondContact CB-O 3.39Å; S448-G462 PolarHBondContact N-O 2.52Å; S448-G462 PolarHBondContact OG-O 3.47Å; S448-V490 PolarHBondContact OG-O 2.6Å |
| 449 | C | 95.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158.4 | -173.9 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | A461 G462 C491 | C449-A461 VanDerWaalsContact O-CA 3.25Å; C449-A461 WeakPolarHBondContact O-CA 3.42Å; C449-A461 WeakPolarHBondContact O-CB 3.33Å; C449-G462 PolarHBondContact O-N 3.38Å; C449-C491 WeakPolarHBondContact CB-O 3.35Å |
| 450 | L | 96.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.1 | -173.6 | 177 | 70.6 | 0 | 0 | 0 | 110.1 | A408 L417 V425 V459 C460 | A408-L450 HydrophobicContact CB-CD2 3.87Å; A408-L450 HydrophobicContact CB-CG 4.16Å; L417-L450 HydrophobicContact CB-CD2 3.76Å; L417-L450 WeakPolarHBondContact O-CD2 3.38Å; V425-L450 HydrophobicContact CG1-CD1 3.6Å; V425-L450 HydrophobicContact CG2-CD1 4.48Å; L450-V459 HydrophobicContact CD1-CG1 3.79Å; L450-C460 WeakPolarHBondContact CA-O 3.39Å |
| 451 | S | 95.7 | Very high | 93.7 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 155.8 | 168.9 | -150.9 | 0 | 0 | 0 | 0 | 111.2 | C460 L493 F495 | S451-C460 PolarHBondContact N-O 3.36Å; S451-C460 PolarHBondContact O-N 3.05Å; S451-L493 PolarHBondContact OG-O 2.85Å; S451-F495 WeakPolarHBondContact OG-CD2 3.35Å; S451-F495 PolarHBondContact OG-N 3.07Å |
| 452 | V | 94.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 38 Ų | 38 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.1 | -177.5 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | A408 L417 V459 F495 | A408-V452 HydrophobicContact CB-CG2 4.14Å; L417-V452 HydrophobicContact CD1-CG2 3.9Å; L417-V452 HydrophobicContact CD2-CG2 3.97Å; L417-V452 HydrophobicContact CG-CG2 4.35Å; V452-V459 HydrophobicContact CG2-CG1 4.44Å; V452-V459 HydrophobicContact CG2-CG2 4.43Å; V452-F495 WeakPolarHBondContact O-CD2 3.44Å |
| 453 | D | 92.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | trans | -64.7 | 156.9 | 178.2 | 179.1 | 40.6 | 0 | 0 | 0 | 112.5 | N455 G456 I458 F495 | D453-N455 PolarHBondContact O-N 2.93Å; D453-N455 WeakPolarHBondContact OD2-CB 3.46Å; D453-N455 PolarHBondContact OD2-N 3Å; D453-G456 WeakPolarHBondContact O-CA 3.46Å; D453-G456 PolarHBondContact O-N 2.8Å; D453-I458 HydrophobicContact CB-CB 4.01Å; D453-I458 PolarHBondContact N-O 3.18Å; D453-I458 VanDerWaalsContact N-O 3.08Å; D453-F495 HydrophobicContact CB-CD1 4.13Å; D453-F495 HydrophobicContact CB-CE1 3.97Å; D453-F495 HydrophobicContact CB-CG 4.45Å; D453-F495 HydrophobicContact CB-CZ 4.19Å | ||
| 454 | S | 87.7 | Confident | 93.9 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.9 | 179.1 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | Q411 G456 G497 | Q411-S454 VanDerWaalsContact CB-O 3.26Å; Q411-S454 WeakPolarHBondContact CB-O 3.26Å; Q411-S454 WeakPolarHBondContact CG-O 3.45Å; S454-G456 VanDerWaalsContact C-N 3.33Å; S454-G497 WeakPolarHBondContact CB-O 3.28Å; S454-G497 PolarHBondContact OG-O 3.13Å |
| 455 | N | 88 | Confident | 93.9 | Very high | 114 Ų | 114 | 31.2 Ų | 31.2 | 61% | 0.61 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.1 | 175.2 | -62.7 | -37 | 0 | 0 | 0 | 113.1 | D453 E457 | D453-N455 PolarHBondContact O-N 2.93Å; D453-N455 WeakPolarHBondContact OD2-CB 3.46Å; D453-N455 PolarHBondContact OD2-N 3Å; N455-E457 VanDerWaalsContact C-N 3.32Å; N455-E457 HydrophobicContact CB-CG 4.27Å |
| 456 | G | 88.9 | Confident | 93.7 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 75.8 | 14.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | D453 S454 M474 | D453-G456 WeakPolarHBondContact O-CA 3.46Å; D453-G456 PolarHBondContact O-N 2.8Å; S454-G456 VanDerWaalsContact C-N 3.33Å; G456-M474 WeakPolarHBondContact O-CB 3.31Å; G456-M474 WeakPolarHBondContact O-CG 3.5Å |
| 457 | E | 91.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 33 Ų | 33 | 55% | 0.547 | 17% | 0.172 | S | C | . | . | trans | -89.7 | -26.8 | 179.9 | -63.2 | -168.2 | 164 | 0 | 0 | 113.3 | N455 M474 | N455-E457 VanDerWaalsContact C-N 3.32Å; N455-E457 HydrophobicContact CB-CG 4.27Å; E457-M474 VanDerWaalsContact O-CB 3.27Å; E457-M474 WeakPolarHBondContact O-CB 3.42Å; E457-M474 PolarHBondContact O-N 2.96Å | ||
| 458 | I | 94.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.2 | -175.1 | -56 | 176.2 | 0 | 0 | 0 | 109.3 | D453 I471 F495 I516 F517 | D453-I458 HydrophobicContact CB-CB 4.01Å; D453-I458 PolarHBondContact N-O 3.18Å; D453-I458 VanDerWaalsContact N-O 3.08Å; I458-I471 HydrophobicContact CG2-CG2 3.44Å; I458-I471 VanDerWaalsContact CG2-CG2 3.44Å; I458-F495 HydrophobicContact CG2-CZ 4.1Å; I458-I516 HydrophobicContact CD1-CG2 4.31Å; I458-I516 HydrophobicContact CG2-CD1 4.49Å; I458-F517 HydrophobicContact CD1-CZ 4.33Å |
| 459 | V | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.3 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | L417 V425 F439 L450 V452 I471 W472 M474 | L417-V459 HydrophobicContact CD2-CB 4.21Å; L417-V459 HydrophobicContact CD2-CG1 3.67Å; L417-V459 HydrophobicContact CD2-CG2 3.41Å; L417-V459 VanDerWaalsContact CD2-CG2 3.41Å; V425-V459 HydrophobicContact CG1-CG1 4.14Å; F439-V459 HydrophobicContact CE2-CG2 4.3Å; F439-V459 HydrophobicContact CZ-CG2 4.29Å; L450-V459 HydrophobicContact CD1-CG1 3.79Å; V452-V459 HydrophobicContact CG2-CG1 4.44Å; V452-V459 HydrophobicContact CG2-CG2 4.43Å; V459-I471 WeakPolarHBondContact O-CA 3.24Å; V459-W472 PolarHBondContact N-O 2.84Å; V459-W472 PolarHBondContact O-N 2.83Å; V459-M474 HydrophobicContact CG2-CB 4.26Å; V459-M474 HydrophobicContact CG2-CG 4.5Å; V459-M474 HydrophobicContact CG2-SD 3.58Å; V459-M474 VanDerWaalsContact CG2-SD 3.58Å |
| 460 | C | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.6 | 177.5 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | L450 S451 V469 Y470 L493 F495 L502 | L450-C460 WeakPolarHBondContact CA-O 3.39Å; S451-C460 PolarHBondContact N-O 3.36Å; S451-C460 PolarHBondContact O-N 3.05Å; C460-V469 HydrophobicContact CB-CG1 4.25Å; C460-Y470 VanDerWaalsContact CA-O 3.24Å; C460-Y470 WeakPolarHBondContact CA-O 3.27Å; C460-L493 HydrophobicContact CB-CD1 4.33Å; C460-F495 HydrophobicContact CB-CE2 4.03Å; C460-F495 HydrophobicContact CB-CZ 4.28Å; C460-F495 WeakPolarHBondContact SG-CZ 3.48Å; C460-L502 HydrophobicContact CB-CD1 4.44Å; C460-L502 HydrophobicContact CB-CD2 4.1Å |
| 461 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V425 F447 C449 V469 Y470 W472 | V425-A461 HydrophobicContact CG2-CB 3.7Å; F447-A461 HydrophobicContact CB-CB 4.42Å; F447-A461 HydrophobicContact CD1-CB 3.81Å; F447-A461 HydrophobicContact CE1-CB 4.31Å; F447-A461 HydrophobicContact CG-CB 4.12Å; C449-A461 VanDerWaalsContact O-CA 3.25Å; C449-A461 WeakPolarHBondContact O-CA 3.42Å; C449-A461 WeakPolarHBondContact O-CB 3.33Å; A461-V469 WeakPolarHBondContact O-CA 3.36Å; A461-Y470 PolarHBondContact N-O 3.33Å; A461-Y470 PolarHBondContact O-N 2.97Å; A461-W472 HydrophobicContact CB-CH2 4.02Å; A461-W472 HydrophobicContact CB-CZ3 3.63Å |
| 462 | G | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F447 S448 C449 | F447-G462 WeakPolarHBondContact CA-O 3.23Å; S448-G462 PolarHBondContact N-O 2.52Å; S448-G462 PolarHBondContact OG-O 3.47Å; C449-G462 PolarHBondContact O-N 3.38Å |
| 463 | G | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 142.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q446 V466 N468 V490 | Q446-G463 WeakPolarHBondContact O-CA 3.1Å; G463-V466 CarbonylContact C-O 3.54Å; G463-V466 WeakPolarHBondContact CA-O 3.45Å; G463-N468 PolarHBondContact N-O 2.97Å; G463-V490 PolarHBondContact O-N 2.87Å |
| 464 | R | 92 | Very high | 93.7 | Very high | 116 Ų | 116 | 33 Ų | 33 | 44% | 0.438 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -84.1 | -49.4 | 174.5 | -175.3 | 177.1 | -179.2 | 160.5 | 0 | 112 | Q446 F467 P489 | Q446-R464 HydrophobicContact CB-CB 4.42Å; Q446-R464 PolarHBondContact O-N 3.16Å; R464-F467 WeakPolarHBondContact O-CD1 3.43Å; R464-F467 VanDerWaalsContact O-CE1 3.31Å; R464-F467 WeakPolarHBondContact O-CE1 3.45Å; R464-P489 WeakPolarHBondContact O-CB 3.46Å; R464-P489 WeakPolarHBondContact O-CG 3.46Å |
| 465 | D | 91.7 | Very high | 93.9 | Very high | 88 Ų | 88 | 37 Ų | 37 | 47% | 0.471 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -88.5 | -36.8 | -175.8 | -53.8 | -30.9 | 0 | 0 | 0 | 111.4 | Q446 F467 | Q446-D465 VanDerWaalsContact CG-OD2 3.3Å; Q446-D465 WeakPolarHBondContact CG-OD2 3.48Å; D465-F467 WeakPolarHBondContact O-CE1 3.46Å |
| 466 | V | 92.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -106.6 | 111.4 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | V445 G463 N468 Y470 | V445-V466 HydrophobicContact CG1-CB 4.11Å; V445-V466 HydrophobicContact CG2-CB 3.85Å; V445-V466 HydrophobicContact CG2-CG2 3.73Å; G463-V466 CarbonylContact C-O 3.54Å; G463-V466 WeakPolarHBondContact CA-O 3.45Å; V466-N468 HydrophobicContact CG1-CB 4.39Å; V466-N468 WeakPolarHBondContact CG1-ND2 3.39Å; V466-N468 PolarHBondContact O-N 3.25Å; V466-Y470 WeakPolarHBondContact CG1-OH 3.41Å |
| 467 | F | 94.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 33% | 0.329 | 19% | 0.186 | S | C | . | . | trans | -74.5 | 28.8 | -166.8 | -48 | -32.1 | 0 | 0 | 0 | 114.8 | R464 D465 H486 E487 A488 P489 | R464-F467 WeakPolarHBondContact O-CD1 3.43Å; R464-F467 VanDerWaalsContact O-CE1 3.31Å; R464-F467 WeakPolarHBondContact O-CE1 3.45Å; D465-F467 WeakPolarHBondContact O-CE1 3.46Å; F467-H486 HydrophobicContact CB-CB 4.48Å; F467-E487 VanDerWaalsContact CD2-C 3.45Å; F467-E487 WeakPolarHBondContact CD2-O 3.29Å; F467-E487 WeakPolarHBondContact CE2-O 3.21Å; F467-A488 WeakPolarHBondContact CB-O 3.33Å; F467-A488 VanDerWaalsContact CD1-C 3.46Å; F467-A488 VanDerWaalsContact CG-C 3.45Å; F467-A488 WeakPolarHBondContact CG-O 3.32Å; F467-P489 HydrophobicContact CD1-CB 4.45Å; F467-P489 HydrophobicContact CD1-CG 4.15Å; F467-P489 HydrophobicContact CE1-CG 3.76Å | ||
| 468 | N | 95 | Very high | 94.4 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 157.7 | -179.5 | -65 | -34.2 | 0 | 0 | 0 | 111 | G463 V466 Y470 V482 L483 S484 | G463-N468 PolarHBondContact N-O 2.97Å; V466-N468 HydrophobicContact CG1-CB 4.39Å; V466-N468 WeakPolarHBondContact CG1-ND2 3.39Å; V466-N468 PolarHBondContact O-N 3.25Å; N468-Y470 HydrophobicContact CB-CE2 4.04Å; N468-V482 HydrophobicContact CB-CG1 3.65Å; N468-L483 WeakPolarHBondContact CA-O 3.48Å; N468-S484 WeakPolarHBondContact OD1-CB 3.4Å |
| 469 | V | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.4 | 168.9 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | C460 A461 L483 V490 L493 L502 | C460-V469 HydrophobicContact CB-CG1 4.25Å; A461-V469 WeakPolarHBondContact O-CA 3.36Å; V469-L483 HydrophobicContact CB-CB 4.15Å; V469-L483 HydrophobicContact CB-CD1 4.41Å; V469-L483 HydrophobicContact CG1-CD1 4.48Å; V469-L483 PolarHBondContact N-O 3.5Å; V469-L483 PolarHBondContact O-N 2.87Å; V469-V490 HydrophobicContact CG2-CG1 4.09Å; V469-V490 HydrophobicContact CG2-CG2 4.03Å; V469-L493 HydrophobicContact CG1-CD1 4.1Å; V469-L493 HydrophobicContact CG1-CD2 3.94Å; V469-L493 HydrophobicContact CG2-CD2 4.03Å; V469-L502 HydrophobicContact CG1-CD2 4.07Å |
| 470 | Y | 96.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.6 | -177.9 | -66.2 | -93.8 | 0 | 0 | 0 | 109.8 | A441 V445 F447 C460 A461 V466 N468 W472 L479 V482 | A441-Y470 HydrophobicContact CB-CD1 3.86Å; A441-Y470 HydrophobicContact CB-CE1 3.6Å; A441-Y470 HydrophobicContact CB-CG 4.46Å; V445-Y470 HydrophobicContact CG1-CE2 4.21Å; V445-Y470 HydrophobicContact CG2-CE2 4.34Å; F447-Y470 AromaticContact CE1-CD2 3.73Å; F447-Y470 HydrophobicContact CE1-CD2 3.73Å; F447-Y470 HydrophobicContact CE1-CE2 4.22Å; F447-Y470 HydrophobicContact CE1-CG 4.26Å; C460-Y470 VanDerWaalsContact CA-O 3.24Å; C460-Y470 WeakPolarHBondContact CA-O 3.27Å; A461-Y470 PolarHBondContact N-O 3.33Å; A461-Y470 PolarHBondContact O-N 2.97Å; V466-Y470 WeakPolarHBondContact CG1-OH 3.41Å; N468-Y470 HydrophobicContact CB-CE2 4.04Å; Y470-W472 HydrophobicContact CD1-CZ2 4.49Å; Y470-W472 HydrophobicContact CG-CH2 4.05Å; Y470-W472 HydrophobicContact CG-CZ2 4.17Å; Y470-W472 WeakPolarHBondContact O-CZ3 3.4Å; Y470-L479 HydrophobicContact CD1-CD1 3.95Å; Y470-V482 HydrophobicContact CD1-CG1 4.23Å; Y470-V482 HydrophobicContact CD1-CG2 3.8Å; Y470-V482 HydrophobicContact CE1-CG1 3.95Å; Y470-V482 HydrophobicContact CE1-CG2 3.9Å |
| 471 | I | 95.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.8 | -180 | -52.4 | -172.4 | 0 | 0 | 0 | 109.3 | I458 V459 L479 L480 D481 L483 I516 | I458-I471 HydrophobicContact CG2-CG2 3.44Å; I458-I471 VanDerWaalsContact CG2-CG2 3.44Å; V459-I471 WeakPolarHBondContact O-CA 3.24Å; I471-L479 CarbonylContact O-C 3.5Å; I471-L479 WeakPolarHBondContact O-CD1 3.33Å; I471-L480 HydrophobicContact CG2-CB 4.2Å; I471-L480 HydrophobicContact CG2-CD1 4.12Å; I471-L480 PolarHBondContact O-N 2.67Å; I471-D481 PolarHBondContact N-O 3.03Å; I471-L483 HydrophobicContact CD1-CD1 3.69Å; I471-L483 HydrophobicContact CD1-CD2 4.05Å; I471-L483 HydrophobicContact CD1-CG 3.75Å; I471-L483 HydrophobicContact CG1-CD1 4.24Å; I471-L483 HydrophobicContact CG1-CG 4.18Å; I471-I516 HydrophobicContact CD1-CG1 4.24Å; I471-I516 HydrophobicContact CD1-CG2 4.28Å |
| 472 | W | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151 | 172.4 | -58.1 | -94.1 | 0 | 0 | 0 | 111.8 | V425 F439 V440 F447 V459 A461 Y470 R478 L479 | V425-W472 HydrophobicContact CG2-CH2 4.28Å; V425-W472 HydrophobicContact CG2-CZ3 4.21Å; F439-W472 HydrophobicContact CB-CD2 3.79Å; F439-W472 HydrophobicContact CB-CE3 4.34Å; F439-W472 HydrophobicContact CB-CG 3.87Å; F439-W472 HydrophobicContact CB-CZ2 4.34Å; F439-W472 HydrophobicContact CD1-CB 3.47Å; F439-W472 VanDerWaalsContact CD1-CB 3.47Å; F439-W472 AromaticContact CD1-CD1 3.85Å; F439-W472 HydrophobicContact CD1-CD2 4.36Å; F439-W472 AromaticContact CD1-CG 3.63Å; F439-W472 HydrophobicContact CD1-CG 3.63Å; F439-W472 HydrophobicContact CE1-CB 3.82Å; F439-W472 HydrophobicContact CE1-CG 4.46Å; F439-W472 HydrophobicContact CG-CB 4.14Å; F439-W472 HydrophobicContact CG-CD2 4.25Å; F439-W472 AromaticContact CG-CG 3.99Å; F439-W472 HydrophobicContact CG-CG 3.99Å; V440-W472 PolarHBondContact O-NE1 2.77Å; F447-W472 AromaticContact CE1-CH2 3.76Å; F447-W472 HydrophobicContact CE1-CH2 3.76Å; F447-W472 HydrophobicContact CE1-CZ2 4.42Å; F447-W472 HydrophobicContact CE2-CH2 4.18Å; F447-W472 AromaticContact CZ-CH2 3.52Å; F447-W472 HydrophobicContact CZ-CH2 3.52Å; F447-W472 AromaticContact CZ-CZ2 3.85Å; F447-W472 HydrophobicContact CZ-CZ2 3.85Å; V459-W472 PolarHBondContact N-O 2.84Å; V459-W472 PolarHBondContact O-N 2.83Å; A461-W472 HydrophobicContact CB-CH2 4.02Å; A461-W472 HydrophobicContact CB-CZ3 3.63Å; Y470-W472 HydrophobicContact CD1-CZ2 4.49Å; Y470-W472 HydrophobicContact CG-CH2 4.05Å; Y470-W472 HydrophobicContact CG-CZ2 4.17Å; Y470-W472 WeakPolarHBondContact O-CZ3 3.4Å; W472-R478 WeakPolarHBondContact CA-O 3.13Å; W472-L479 VanDerWaalsContact CD1-CA 3.46Å; W472-L479 HydrophobicContact CD2-CD1 4.13Å; W472-L479 HydrophobicContact CG-CD1 4.22Å; W472-L479 HydrophobicContact CZ2-CD1 4.19Å |
| 473 | S | 95.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.4 | 166.7 | 161.8 | 0 | 0 | 0 | 0 | 109.7 | C475 S476 G477 R478 | S473-C475 PolarHBondContact O-N 3.36Å; S473-S476 WeakPolarHBondContact CB-OG 3.45Å; S473-S476 PolarHBondContact OG-N 3.15Å; S473-S476 PolarHBondContact OG-OG 3.36Å; S473-G477 WeakPolarHBondContact O-CA 3.49Å; S473-G477 PolarHBondContact O-N 2.95Å; S473-R478 PolarHBondContact N-O 3.16Å |
| 474 | M | 92.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -43.3 | -179.4 | -169.2 | 64.8 | -155.2 | 0 | 0 | 112.2 | L417 A427 F436 R437 F439 G456 E457 V459 | L417-M474 HydrophobicContact CD2-CE 4.49Å; L417-M474 HydrophobicContact CD2-SD 3.91Å; A427-M474 HydrophobicContact CB-CE 3.27Å; A427-M474 HydrophobicContact CB-SD 4.33Å; F436-M474 HydrophobicContact CE1-CE 4Å; F436-M474 HydrophobicContact CE2-CE 3.38Å; F436-M474 HydrophobicContact CZ-CE 3.05Å; R437-M474 HydrophobicContact CB-CE 4.43Å; R437-M474 HydrophobicContact CG-CE 4.3Å; F439-M474 HydrophobicContact CE2-SD 4.02Å; F439-M474 HydrophobicContact CZ-CE 4.33Å; F439-M474 HydrophobicContact CZ-SD 3.62Å; G456-M474 WeakPolarHBondContact O-CB 3.31Å; G456-M474 WeakPolarHBondContact O-CG 3.5Å; E457-M474 VanDerWaalsContact O-CB 3.27Å; E457-M474 WeakPolarHBondContact O-CB 3.42Å; E457-M474 PolarHBondContact O-N 2.96Å; V459-M474 HydrophobicContact CG2-CB 4.26Å; V459-M474 HydrophobicContact CG2-CG 4.5Å; V459-M474 HydrophobicContact CG2-SD 3.58Å; V459-M474 VanDerWaalsContact CG2-SD 3.58Å |
| 475 | C | 92 | Very high | 93.4 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 75% | 0.75 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -43.8 | -178 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | S473 | S473-C475 PolarHBondContact O-N 3.36Š|
| 476 | S | 93 | Very high | 93.5 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -23.6 | -176.2 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | S473 R478 | S473-S476 WeakPolarHBondContact CB-OG 3.45Å; S473-S476 PolarHBondContact OG-N 3.15Å; S473-S476 PolarHBondContact OG-OG 3.36Å; S476-R478 PolarHBondContact O-N 3.01Å; S476-R478 PolarHBondContact OG-N 2.86Å |
| 477 | G | 92 | Very high | 93.6 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | trans | 73.9 | 1.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S473 | S473-G477 WeakPolarHBondContact O-CA 3.49Å; S473-G477 PolarHBondContact O-N 2.95Å | ||
| 478 | R | 94.2 | Very high | 93.6 | Very high | 189 Ų | 189 | 48.3 Ų | 48.3 | 71% | 0.713 | 27% | 0.27 | S | S | * | . | trans | -87.5 | 145.9 | -176.6 | -64.3 | -176.8 | 178.2 | 172.8 | -0.8 | 110.9 | W472 S473 S476 L480 | W472-R478 WeakPolarHBondContact CA-O 3.13Å; S473-R478 PolarHBondContact N-O 3.16Å; S476-R478 PolarHBondContact O-N 3.01Å; S476-R478 PolarHBondContact OG-N 2.86Å; R478-L480 PolarHBondContact O-N 3.04Å | ||
| 479 | L | 94.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 123.9 | 164.8 | -174.5 | 76.5 | 0 | 0 | 0 | 107.9 | P442 Y470 I471 W472 V482 | P442-L479 HydrophobicContact CG-CD2 3.79Å; Y470-L479 HydrophobicContact CD1-CD1 3.95Å; I471-L479 CarbonylContact O-C 3.5Å; I471-L479 WeakPolarHBondContact O-CD1 3.33Å; W472-L479 VanDerWaalsContact CD1-CA 3.46Å; W472-L479 HydrophobicContact CD2-CD1 4.13Å; W472-L479 HydrophobicContact CG-CD1 4.22Å; W472-L479 HydrophobicContact CZ2-CD1 4.19Å; L479-V482 HydrophobicContact CD1-CG2 4.44Å; L479-V482 HydrophobicContact CD2-CG2 3.77Å; L479-V482 HydrophobicContact CG-CG2 4.42Å |
| 480 | L | 92.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 47.3 Ų | 47.3 | 53% | 0.534 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -51.9 | 178.7 | -67.8 | 176.4 | 0 | 0 | 0 | 110.6 | I471 R478 | I471-L480 HydrophobicContact CG2-CB 4.2Å; I471-L480 HydrophobicContact CG2-CD1 4.12Å; I471-L480 PolarHBondContact O-N 2.67Å; R478-L480 PolarHBondContact O-N 3.04Å |
| 481 | D | 92.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 165.3 | -178.9 | -154.5 | -1.1 | 0 | 0 | 0 | 111.7 | I471 | I471-D481 PolarHBondContact N-O 3.03Å |
| 482 | V | 93.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 26% | 0.261 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 104 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 108 | N468 Y470 L479 S484 | N468-V482 HydrophobicContact CB-CG1 3.65Å; Y470-V482 HydrophobicContact CD1-CG1 4.23Å; Y470-V482 HydrophobicContact CD1-CG2 3.8Å; Y470-V482 HydrophobicContact CE1-CG1 3.95Å; Y470-V482 HydrophobicContact CE1-CG2 3.9Å; L479-V482 HydrophobicContact CD1-CG2 4.44Å; L479-V482 HydrophobicContact CD2-CG2 3.77Å; L479-V482 HydrophobicContact CG-CG2 4.42Å; V482-S484 PolarHBondContact O-N 2.83Å |
| 483 | L | 92.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.7 | 178 | -53.7 | 177.1 | 0 | 0 | 0 | 109.2 | N468 V469 I471 L502 W514 | N468-L483 WeakPolarHBondContact CA-O 3.48Å; V469-L483 HydrophobicContact CB-CB 4.15Å; V469-L483 HydrophobicContact CB-CD1 4.41Å; V469-L483 HydrophobicContact CG1-CD1 4.48Å; V469-L483 PolarHBondContact N-O 3.5Å; V469-L483 PolarHBondContact O-N 2.87Å; I471-L483 HydrophobicContact CD1-CD1 3.69Å; I471-L483 HydrophobicContact CD1-CD2 4.05Å; I471-L483 HydrophobicContact CD1-CG 3.75Å; I471-L483 HydrophobicContact CG1-CD1 4.24Å; I471-L483 HydrophobicContact CG1-CG 4.18Å; L483-L502 HydrophobicContact CD1-CD2 4.18Å; L483-W514 HydrophobicContact CB-CD2 4.31Å; L483-W514 HydrophobicContact CB-CE3 4.11Å; L483-W514 HydrophobicContact CB-CH2 4.08Å; L483-W514 HydrophobicContact CB-CZ2 4.27Å; L483-W514 HydrophobicContact CB-CZ3 3.99Å; L483-W514 HydrophobicContact CD1-CB 4.01Å; L483-W514 HydrophobicContact CD1-CD2 3.66Å; L483-W514 HydrophobicContact CD1-CE3 3.96Å; L483-W514 HydrophobicContact CD1-CG 3.69Å; L483-W514 HydrophobicContact CD2-CE3 4.08Å; L483-W514 HydrophobicContact CD2-CZ3 4.44Å; L483-W514 HydrophobicContact CG-CD2 4.43Å; L483-W514 HydrophobicContact CG-CE3 4.28Å |
| 484 | S | 91.2 | Very high | 93.6 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | trans | -118.2 | 139.7 | 178.8 | 47.7 | 0 | 0 | 0 | 0 | 110 | N468 V482 R523 | N468-S484 WeakPolarHBondContact OD1-CB 3.4Å; V482-S484 PolarHBondContact O-N 2.83Å; S484-R523 PolarHBondContact O-NH1 3.39Å | ||
| 485 | G | 88.4 | Confident | 93.7 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | trans | 166 | -24.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 486 | H | 93.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.06 | 24% | 0.237 | C | C | . | . | trans | -78.2 | 144.9 | 173.9 | -75.2 | -61.1 | 0 | 0 | 0 | 112.2 | F467 V490 S504 S506 D508 | F467-H486 HydrophobicContact CB-CB 4.48Å; H486-V490 HydrophobicContact CB-CG2 4.41Å; H486-S504 PolarHBondContact NE2-OG 2.92Å; H486-S506 WeakPolarHBondContact ND1-CB 3.46Å; H486-D508 VanDerWaalsContact CA-OD2 3.28Å; H486-D508 WeakPolarHBondContact CA-OD2 3.24Å; H486-D508 IonicContact CE1-OD2 2.67Å; H486-D508 IonicContact CG-OD2 3.95Å; H486-D508 IonicContact ND1-OD1 3.19Å; H486-D508 IonicContact ND1-OD2 3.78Å; H486-D508 PolarHBondContact ND1-OD2 2.78Å | ||
| 487 | E | 93.7 | Very high | 93.2 | Very high | 142 Ų | 142 | 42.3 Ų | 42.3 | 66% | 0.664 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -103.1 | -1.3 | 179.7 | -66.6 | 177.1 | -165.7 | 0 | 0 | 112.7 | F467 D508 R510 | F467-E487 VanDerWaalsContact CD2-C 3.45Å; F467-E487 WeakPolarHBondContact CD2-O 3.29Å; F467-E487 WeakPolarHBondContact CE2-O 3.21Å; E487-D508 HydrophobicContact CB-CB 4.15Å; E487-D508 PolarHBondContact N-OD2 3.3Å; E487-D508 VanDerWaalsContact N-OD2 3.12Å; E487-R510 IonicContact OE1-NH1 3.42Å |
| 488 | A | 95.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -147.2 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F467 V490 S506 W507 D508 | F467-A488 WeakPolarHBondContact CB-O 3.33Å; F467-A488 VanDerWaalsContact CD1-C 3.46Å; F467-A488 VanDerWaalsContact CG-C 3.45Å; F467-A488 WeakPolarHBondContact CG-O 3.32Å; A488-V490 PolarHBondContact O-N 2.73Å; A488-S506 PolarHBondContact O-OG 2.84Å; A488-W507 HydrophobicContact CB-CB 3.9Å; A488-D508 HydrophobicContact CB-CB 3.99Å |
| 489 | P | 95.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | trans | -52.4 | 133.6 | -176.1 | -27.3 | 34.8 | 0 | 0 | 0 | 113.6 | R464 F467 C491 S506 W507 | R464-P489 WeakPolarHBondContact O-CB 3.46Å; R464-P489 WeakPolarHBondContact O-CG 3.46Å; F467-P489 HydrophobicContact CD1-CB 4.45Å; F467-P489 HydrophobicContact CD1-CG 4.15Å; F467-P489 HydrophobicContact CE1-CG 3.76Å; P489-C491 PolarHBondContact O-N 3.44Å; P489-C491 PolarHBondContact O-SG 3.42Å; P489-C491 VanDerWaalsContact O-SG 3.38Å; P489-S506 WeakPolarHBondContact O-CA 3.13Å; P489-S506 WeakPolarHBondContact O-CB 3.36Å; P489-S506 PolarHBondContact O-OG 3.11Å; P489-S506 VanDerWaalsContact O-OG 3.1Å; P489-W507 HydrophobicContact CB-CE3 4.37Å; P489-W507 HydrophobicContact CG-CD2 4.49Å; P489-W507 HydrophobicContact CG-CE3 3.84Å; P489-W507 HydrophobicContact CG-CZ3 4.02Å; P489-W507 PolarHBondContact O-N 3.31Å | ||
| 490 | V | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | S448 G463 V469 H486 A488 L493 C505 | S448-V490 PolarHBondContact OG-O 2.6Å; G463-V490 PolarHBondContact O-N 2.87Å; V469-V490 HydrophobicContact CG2-CG1 4.09Å; V469-V490 HydrophobicContact CG2-CG2 4.03Å; H486-V490 HydrophobicContact CB-CG2 4.41Å; A488-V490 PolarHBondContact O-N 2.73Å; V490-L493 HydrophobicContact CG1-CD2 4.2Å; V490-L493 HydrophobicContact CG1-CG 4.37Å; V490-C505 WeakPolarHBondContact CA-O 3.07Å |
| 491 | C | 94.5 | Very high | 91.8 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -33.6 | -171.7 | -65.7 | 0 | 0 | 0 | 0 | 113.1 | C449 P489 C505 W507 L533 | C449-C491 WeakPolarHBondContact CB-O 3.35Å; P489-C491 PolarHBondContact O-N 3.44Å; P489-C491 PolarHBondContact O-SG 3.42Å; P489-C491 VanDerWaalsContact O-SG 3.38Å; C491-C505 PolarHBondContact N-O 3.24Å; C491-W507 PolarHBondContact SG-NE1 2.98Å; C491-L533 WeakPolarHBondContact CB-O 3.36Å |
| 492 | G | 95.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 149.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S504 C505 | G492-S504 WeakPolarHBondContact O-CA 3.2Å; G492-C505 WeakPolarHBondContact CA-SG 3.4Å; G492-C505 PolarHBondContact N-SG 2.84Å; G492-C505 PolarHBondContact O-N 2.89Å |
| 493 | L | 96.5 | Very high | 92 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.3 | 176.9 | -69.9 | 171.9 | 0 | 0 | 0 | 109.4 | S451 C460 V469 V490 L502 A503 S504 | S451-L493 PolarHBondContact OG-O 2.85Å; C460-L493 HydrophobicContact CB-CD1 4.33Å; V469-L493 HydrophobicContact CG1-CD1 4.1Å; V469-L493 HydrophobicContact CG1-CD2 3.94Å; V469-L493 HydrophobicContact CG2-CD2 4.03Å; V490-L493 HydrophobicContact CG1-CD2 4.2Å; V490-L493 HydrophobicContact CG1-CG 4.37Å; L493-L502 HydrophobicContact CB-CD1 4.35Å; L493-L502 HydrophobicContact CD2-CD1 4.2Å; L493-L502 HydrophobicContact CD2-CD2 4.25Å; L493-L502 HydrophobicContact CD2-CG 4.39Å; L493-A503 WeakPolarHBondContact CA-O 3.13Å; L493-S504 VanDerWaalsContact CD2-CB 3.42Å |
| 494 | S | 95.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 131.1 | 173.6 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | A503 F537 | S494-A503 PolarHBondContact N-O 3.31Å; S494-A503 PolarHBondContact O-N 2.9Å; S494-F537 WeakPolarHBondContact O-CD2 3.45Å; S494-F537 WeakPolarHBondContact O-CE2 3.15Å; S494-F537 PolarHBondContact OG-N 3.48Å; S494-F537 VanDerWaalsContact OG-N 3.13Å |
| 495 | F | 94.5 | Very high | 92.4 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 151.4 | 166 | -83.5 | -85.4 | 0 | 0 | 0 | 111.3 | S451 V452 D453 I458 C460 V501 L502 I516 F537 | S451-F495 WeakPolarHBondContact OG-CD2 3.35Å; S451-F495 PolarHBondContact OG-N 3.07Å; V452-F495 WeakPolarHBondContact O-CD2 3.44Å; D453-F495 HydrophobicContact CB-CD1 4.13Å; D453-F495 HydrophobicContact CB-CE1 3.97Å; D453-F495 HydrophobicContact CB-CG 4.45Å; D453-F495 HydrophobicContact CB-CZ 4.19Å; I458-F495 HydrophobicContact CG2-CZ 4.1Å; C460-F495 HydrophobicContact CB-CE2 4.03Å; C460-F495 HydrophobicContact CB-CZ 4.28Å; C460-F495 WeakPolarHBondContact SG-CZ 3.48Å; F495-V501 CarbonylContact C-O 3.58Å; F495-V501 WeakPolarHBondContact CA-O 3.45Å; F495-L502 HydrophobicContact CD1-CB 4.32Å; F495-L502 HydrophobicContact CD1-CD1 4.38Å; F495-L502 HydrophobicContact CD2-CD1 3.86Å; F495-L502 HydrophobicContact CE1-CB 4.15Å; F495-L502 HydrophobicContact CE1-CD1 4.34Å; F495-L502 HydrophobicContact CE2-CD1 3.79Å; F495-L502 HydrophobicContact CG-CD1 4.17Å; F495-L502 HydrophobicContact CZ-CB 4.49Å; F495-L502 HydrophobicContact CZ-CD1 4.06Å; F495-I516 HydrophobicContact CE1-CD1 3.41Å; F495-I516 VanDerWaalsContact CE1-CD1 3.41Å; F495-I516 HydrophobicContact CZ-CD1 3.9Å; F495-F537 WeakPolarHBondContact O-CD2 3.45Å |
| 496 | C | 92 | Very high | 92.8 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | trans | -71.3 | 141.7 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | E499 V501 F537 G541 | C496-E499 CarbonylContact C-O 3.54Å; C496-E499 WeakPolarHBondContact CB-O 3.4Å; C496-V501 HydrophobicContact CB-CB 4.2Å; C496-V501 PolarHBondContact N-O 2.81Å; C496-F537 HydrophobicContact CB-CD1 4.07Å; C496-F537 HydrophobicContact CB-CD2 4.28Å; C496-F537 HydrophobicContact CB-CE1 4.04Å; C496-F537 HydrophobicContact CB-CE2 4.23Å; C496-F537 HydrophobicContact CB-CG 4.19Å; C496-F537 HydrophobicContact CB-CZ 4.13Å; C496-G541 VanDerWaalsContact SG-CA 3.58Å | ||
| 497 | G | 81.9 | Confident | 92.8 | Very high | 46 Ų | 46 | 28 Ų | 28 | 47% | 0.474 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -73 | -30.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S454 | S454-G497 WeakPolarHBondContact CB-O 3.28Å; S454-G497 PolarHBondContact OG-O 3.13Å |
| 498 | S | 79.5 | Confident | 92.9 | Very high | 80 Ų | 80 | 22.5 Ų | 22.5 | 56% | 0.559 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -99.4 | -36.5 | -176 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 499 | E | 84.7 | Confident | 92.9 | Very high | 74 Ų | 74 | 26.5 Ų | 26.5 | 35% | 0.346 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -117.8 | 153.3 | -174.4 | -63.4 | 178 | -147.8 | 0 | 0 | 109.9 | C496 V501 W558 R559 | C496-E499 CarbonylContact C-O 3.54Å; C496-E499 WeakPolarHBondContact CB-O 3.4Å; E499-V501 HydrophobicContact CB-CG2 4.11Å; E499-V501 PolarHBondContact O-N 2.73Å; E499-W558 VanDerWaalsContact OE2-CH2 3.22Å; E499-W558 WeakPolarHBondContact OE2-CH2 3.4Å; E499-W558 WeakPolarHBondContact OE2-CZ2 3.46Å; E499-R559 IonicContact OE1-NH2 3.58Å; E499-R559 PolarHBondContact OE1-NH2 3.09Å |
| 500 | T | 87.6 | Confident | 92.8 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -83 | 47.2 | -177.4 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | F517 | T500-F517 HydrophobicContact CG2-CE2 3.92Å; T500-F517 VanDerWaalsContact OG1-CD2 3.23Å; T500-F517 WeakPolarHBondContact OG1-CD2 3.46Å; T500-F517 WeakPolarHBondContact OG1-CE2 3.27Å |
| 501 | V | 92.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | F495 C496 E499 V513 F537 W558 | F495-V501 CarbonylContact C-O 3.58Å; F495-V501 WeakPolarHBondContact CA-O 3.45Å; C496-V501 HydrophobicContact CB-CB 4.2Å; C496-V501 PolarHBondContact N-O 2.81Å; E499-V501 HydrophobicContact CB-CG2 4.11Å; E499-V501 PolarHBondContact O-N 2.73Å; V501-V513 HydrophobicContact CG1-CG1 3.37Å; V501-F537 HydrophobicContact CG1-CZ 4.21Å; V501-W558 HydrophobicContact CG1-CE3 4.35Å; V501-W558 HydrophobicContact CG1-CZ3 4.32Å; V501-W558 HydrophobicContact CG2-CH2 4.05Å; V501-W558 HydrophobicContact CG2-CZ3 4.12Å |
| 502 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.8 | -178.9 | 175.6 | 72.5 | 0 | 0 | 0 | 110.1 | C460 V469 L483 L493 F495 V513 W514 I516 | C460-L502 HydrophobicContact CB-CD1 4.44Å; C460-L502 HydrophobicContact CB-CD2 4.1Å; V469-L502 HydrophobicContact CG1-CD2 4.07Å; L483-L502 HydrophobicContact CD1-CD2 4.18Å; L493-L502 HydrophobicContact CB-CD1 4.35Å; L493-L502 HydrophobicContact CD2-CD1 4.2Å; L493-L502 HydrophobicContact CD2-CD2 4.25Å; L493-L502 HydrophobicContact CD2-CG 4.39Å; F495-L502 HydrophobicContact CD1-CB 4.32Å; F495-L502 HydrophobicContact CD1-CD1 4.38Å; F495-L502 HydrophobicContact CD2-CD1 3.86Å; F495-L502 HydrophobicContact CE1-CB 4.15Å; F495-L502 HydrophobicContact CE1-CD1 4.34Å; F495-L502 HydrophobicContact CE2-CD1 3.79Å; F495-L502 HydrophobicContact CG-CD1 4.17Å; F495-L502 HydrophobicContact CZ-CB 4.49Å; F495-L502 HydrophobicContact CZ-CD1 4.06Å; L502-V513 CarbonylContact O-C 3.55Å; L502-V513 WeakPolarHBondContact O-CA 3.37Å; L502-W514 HydrophobicContact CB-CB 4.31Å; L502-W514 PolarHBondContact N-O 3.26Å; L502-W514 PolarHBondContact O-N 3.4Å; L502-I516 HydrophobicContact CB-CD1 4.25Å |
| 503 | A | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L493 S494 V511 I512 V535 F537 I544 | L493-A503 WeakPolarHBondContact CA-O 3.13Å; S494-A503 PolarHBondContact N-O 3.31Å; S494-A503 PolarHBondContact O-N 2.9Å; A503-V511 HydrophobicContact CB-CG1 4.38Å; A503-I512 WeakPolarHBondContact CA-O 3.23Å; A503-V535 HydrophobicContact CB-CG2 4.07Å; A503-F537 HydrophobicContact CB-CD2 4.17Å; A503-F537 HydrophobicContact CB-CE2 3.39Å; A503-F537 HydrophobicContact CB-CZ 3.84Å; A503-I544 HydrophobicContact CB-CD1 4.07Å |
| 504 | S | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.1 | 173.4 | 63.9 | 0 | 0 | 0 | 0 | 111 | H486 G492 L493 V511 I512 W514 | H486-S504 PolarHBondContact NE2-OG 2.92Å; G492-S504 WeakPolarHBondContact O-CA 3.2Å; L493-S504 VanDerWaalsContact CD2-CB 3.42Å; S504-V511 CarbonylContact O-C 3.59Å; S504-V511 VanDerWaalsContact O-CA 3.23Å; S504-V511 WeakPolarHBondContact O-CA 3.14Å; S504-V511 WeakPolarHBondContact O-CG1 2.99Å; S504-I512 PolarHBondContact N-O 2.84Å; S504-I512 PolarHBondContact O-N 2.75Å; S504-I512 PolarHBondContact OG-O 2.8Å; S504-W514 PolarHBondContact OG-NE1 3.36Å |
| 505 | C | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.1 | 175 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | V490 C491 G492 V511 V532 V535 | V490-C505 WeakPolarHBondContact CA-O 3.07Å; C491-C505 PolarHBondContact N-O 3.24Å; G492-C505 WeakPolarHBondContact CA-SG 3.4Å; G492-C505 PolarHBondContact N-SG 2.84Å; G492-C505 PolarHBondContact O-N 2.89Å; C505-V511 HydrophobicContact CB-CG2 3.86Å; C505-V532 HydrophobicContact CB-CB 3.88Å; C505-V532 HydrophobicContact CB-CG1 3.49Å; C505-V532 VanDerWaalsContact CB-CG1 3.49Å; C505-V535 HydrophobicContact CB-CB 3.9Å; C505-V535 HydrophobicContact CB-CG1 3.9Å |
| 506 | S | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 163.8 | -177.1 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | H486 A488 P489 D508 K509 R510 V532 | H486-S506 WeakPolarHBondContact ND1-CB 3.46Å; A488-S506 PolarHBondContact O-OG 2.84Å; P489-S506 WeakPolarHBondContact O-CA 3.13Å; P489-S506 WeakPolarHBondContact O-CB 3.36Å; P489-S506 PolarHBondContact O-OG 3.11Å; P489-S506 VanDerWaalsContact O-OG 3.1Å; S506-D508 VanDerWaalsContact CB-OD1 3.25Å; S506-D508 WeakPolarHBondContact CB-OD1 3.37Å; S506-D508 PolarHBondContact O-N 2.6Å; S506-D508 PolarHBondContact OG-N 3.05Å; S506-D508 PolarHBondContact OG-OD1 3.47Å; S506-K509 PolarHBondContact O-N 3.27Å; S506-R510 PolarHBondContact N-O 3.27Å; S506-V532 PolarHBondContact O-N 2.9Å |
| 507 | W | 95.2 | Very high | 91.6 | Very high | 106 Ų | 106 | 37.4 Ų | 37.4 | 40% | 0.402 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8 | 170.7 | -64.8 | -12.1 | 0 | 0 | 0 | 113.5 | A488 P489 C491 K509 E531 | A488-W507 HydrophobicContact CB-CB 3.9Å; P489-W507 HydrophobicContact CB-CE3 4.37Å; P489-W507 HydrophobicContact CG-CD2 4.49Å; P489-W507 HydrophobicContact CG-CE3 3.84Å; P489-W507 HydrophobicContact CG-CZ3 4.02Å; P489-W507 PolarHBondContact O-N 3.31Å; C491-W507 PolarHBondContact SG-NE1 2.98Å; W507-K509 PolarHBondContact O-N 2.81Å; W507-K509 VanDerWaalsContact O-N 3.07Å; W507-E531 HydrophobicContact CB-CB 4.46Å; W507-E531 WeakPolarHBondContact O-CG 3.24Å |
| 508 | D | 94.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 5.2 | 171.8 | 67.6 | 4.8 | 0 | 0 | 0 | 113.7 | H486 E487 A488 S506 R510 | H486-D508 VanDerWaalsContact CA-OD2 3.28Å; H486-D508 WeakPolarHBondContact CA-OD2 3.24Å; H486-D508 IonicContact CE1-OD2 2.67Å; H486-D508 IonicContact CG-OD2 3.95Å; H486-D508 IonicContact ND1-OD1 3.19Å; H486-D508 IonicContact ND1-OD2 3.78Å; H486-D508 PolarHBondContact ND1-OD2 2.78Å; E487-D508 HydrophobicContact CB-CB 4.15Å; E487-D508 PolarHBondContact N-OD2 3.3Å; E487-D508 VanDerWaalsContact N-OD2 3.12Å; A488-D508 HydrophobicContact CB-CB 3.99Å; S506-D508 VanDerWaalsContact CB-OD1 3.25Å; S506-D508 WeakPolarHBondContact CB-OD1 3.37Å; S506-D508 PolarHBondContact O-N 2.6Å; S506-D508 PolarHBondContact OG-N 3.05Å; S506-D508 PolarHBondContact OG-OD1 3.47Å; D508-R510 PolarHBondContact O-N 3.4Å; D508-R510 WeakPolarHBondContact OD1-CB 3.29Å; D508-R510 PolarHBondContact OD1-N 2.89Å |
| 509 | K | 95.2 | Very high | 91 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 44% | 0.439 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 70.5 | 17.4 | 178.9 | -42.9 | 176.9 | -178.8 | 175.9 | 0 | 113.7 | S506 W507 C528 S530 E531 | S506-K509 PolarHBondContact O-N 3.27Å; W507-K509 PolarHBondContact O-N 2.81Å; W507-K509 VanDerWaalsContact O-N 3.07Å; K509-C528 PolarHBondContact O-N 3.42Å; K509-S530 VanDerWaalsContact CA-O 3.3Å; K509-S530 WeakPolarHBondContact CA-O 3.39Å; K509-S530 VanDerWaalsContact CB-O 3.32Å; K509-S530 WeakPolarHBondContact CB-O 3.12Å; K509-E531 HydrophobicContact CG-CG 4.42Å |
| 510 | R | 95 | Very high | 89.9 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 29% | 0.291 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.3 | -179.6 | -62.8 | 176.9 | 169.3 | 158.4 | 1 | 111.5 | E487 S506 D508 L526 E527 | E487-R510 IonicContact OE1-NH1 3.42Å; S506-R510 PolarHBondContact N-O 3.27Å; D508-R510 PolarHBondContact O-N 3.4Å; D508-R510 WeakPolarHBondContact OD1-CB 3.29Å; D508-R510 PolarHBondContact OD1-N 2.89Å; R510-L526 WeakPolarHBondContact CA-O 3.47Å; R510-E527 IonicContact NE-OE1 3.75Å; R510-E527 IonicContact NH2-OE1 3.81Å |
| 511 | V | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.4 | 161.6 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | A503 S504 C505 L526 V532 V535 C546 | A503-V511 HydrophobicContact CB-CG1 4.38Å; S504-V511 CarbonylContact O-C 3.59Å; S504-V511 VanDerWaalsContact O-CA 3.23Å; S504-V511 WeakPolarHBondContact O-CA 3.14Å; S504-V511 WeakPolarHBondContact O-CG1 2.99Å; C505-V511 HydrophobicContact CB-CG2 3.86Å; V511-L526 HydrophobicContact CB-CB 4.3Å; V511-L526 HydrophobicContact CG1-CD1 4.38Å; V511-L526 PolarHBondContact N-O 3.49Å; V511-L526 WeakPolarHBondContact O-CB 3.04Å; V511-L526 PolarHBondContact O-N 3.11Å; V511-V532 HydrophobicContact CG2-CB 4.48Å; V511-V532 HydrophobicContact CG2-CG1 4.07Å; V511-V532 HydrophobicContact CG2-CG2 4.15Å; V511-V535 HydrophobicContact CG1-CG2 4.04Å; V511-C546 HydrophobicContact CG2-CB 4.28Å; V511-C546 VanDerWaalsContact CG2-SG 3.6Å |
| 512 | I | 95.2 | Very high | 87.6 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.6 | 178.5 | -55.6 | 175.3 | 0 | 0 | 0 | 108.2 | A503 S504 W514 R523 D524 A525 | A503-I512 WeakPolarHBondContact CA-O 3.23Å; S504-I512 PolarHBondContact N-O 2.84Å; S504-I512 PolarHBondContact O-N 2.75Å; S504-I512 PolarHBondContact OG-O 2.8Å; I512-W514 HydrophobicContact CB-CZ2 3.78Å; I512-W514 HydrophobicContact CD1-CH2 4.22Å; I512-W514 HydrophobicContact CD1-CZ2 3.8Å; I512-W514 HydrophobicContact CG1-CZ2 4.39Å; I512-W514 HydrophobicContact CG2-CD2 3.75Å; I512-W514 HydrophobicContact CG2-CE3 4.18Å; I512-W514 HydrophobicContact CG2-CG 4.34Å; I512-W514 HydrophobicContact CG2-CH2 3.9Å; I512-W514 HydrophobicContact CG2-CZ2 3.43Å; I512-W514 VanDerWaalsContact CG2-CZ2 3.43Å; I512-W514 HydrophobicContact CG2-CZ3 4.25Å; I512-W514 VanDerWaalsContact O-CD1 3.31Å; I512-W514 PolarHBondContact O-NE1 3.38Å; I512-R523 HydrophobicContact CG2-CB 3.97Å; I512-D524 WeakPolarHBondContact CA-O 3.06Å; I512-A525 HydrophobicContact CG1-CB 4.34Å |
| 513 | V | 94.6 | Very high | 87 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.9 | 172 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | V501 L502 R523 D524 L526 I544 W558 | V501-V513 HydrophobicContact CG1-CG1 3.37Å; L502-V513 CarbonylContact O-C 3.55Å; L502-V513 WeakPolarHBondContact O-CA 3.37Å; V513-R523 VanDerWaalsContact O-CA 3.29Å; V513-R523 WeakPolarHBondContact O-CA 3.47Å; V513-D524 PolarHBondContact N-O 2.96Å; V513-D524 PolarHBondContact O-N 2.89Å; V513-L526 HydrophobicContact CG2-CD1 4.02Å; V513-I544 HydrophobicContact CG2-CD1 3.57Å; V513-W558 HydrophobicContact CG1-CE3 4.29Å |
| 514 | W | 92.9 | Very high | 86.6 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.4 | -176.6 | -50.1 | 89.7 | 0 | 0 | 0 | 109.9 | L483 L502 S504 I512 G522 R523 | L483-W514 HydrophobicContact CB-CD2 4.31Å; L483-W514 HydrophobicContact CB-CE3 4.11Å; L483-W514 HydrophobicContact CB-CH2 4.08Å; L483-W514 HydrophobicContact CB-CZ2 4.27Å; L483-W514 HydrophobicContact CB-CZ3 3.99Å; L483-W514 HydrophobicContact CD1-CB 4.01Å; L483-W514 HydrophobicContact CD1-CD2 3.66Å; L483-W514 HydrophobicContact CD1-CE3 3.96Å; L483-W514 HydrophobicContact CD1-CG 3.69Å; L483-W514 HydrophobicContact CD2-CE3 4.08Å; L483-W514 HydrophobicContact CD2-CZ3 4.44Å; L483-W514 HydrophobicContact CG-CD2 4.43Å; L483-W514 HydrophobicContact CG-CE3 4.28Å; L502-W514 HydrophobicContact CB-CB 4.31Å; L502-W514 PolarHBondContact N-O 3.26Å; L502-W514 PolarHBondContact O-N 3.4Å; S504-W514 PolarHBondContact OG-NE1 3.36Å; I512-W514 HydrophobicContact CB-CZ2 3.78Å; I512-W514 HydrophobicContact CD1-CH2 4.22Å; I512-W514 HydrophobicContact CD1-CZ2 3.8Å; I512-W514 HydrophobicContact CG1-CZ2 4.39Å; I512-W514 HydrophobicContact CG2-CD2 3.75Å; I512-W514 HydrophobicContact CG2-CE3 4.18Å; I512-W514 HydrophobicContact CG2-CG 4.34Å; I512-W514 HydrophobicContact CG2-CH2 3.9Å; I512-W514 HydrophobicContact CG2-CZ2 3.43Å; I512-W514 VanDerWaalsContact CG2-CZ2 3.43Å; I512-W514 HydrophobicContact CG2-CZ3 4.25Å; I512-W514 VanDerWaalsContact O-CD1 3.31Å; I512-W514 PolarHBondContact O-NE1 3.38Å; W514-G522 WeakPolarHBondContact CA-O 3.44Å; W514-R523 HydrophobicContact CD2-CB 4.48Å; W514-R523 HydrophobicContact CE3-CB 3.72Å; W514-R523 HydrophobicContact CZ3-CB 3.8Å; W514-R523 HydrophobicContact CZ3-CG 4.4Å |
| 515 | N | 90.5 | Very high | 86.4 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 104 | 164.8 | -170 | -22.4 | 0 | 0 | 0 | 109 | F517 E518 G522 | N515-F517 PolarHBondContact O-N 2.96Å; N515-F517 PolarHBondContact OD1-N 3.34Å; N515-E518 HydrophobicContact CB-CB 4.07Å; N515-E518 HydrophobicContact CB-CG 4.27Å; N515-E518 WeakPolarHBondContact ND2-CG 3.5Å; N515-E518 PolarHBondContact ND2-OE1 2.85Å; N515-E518 VanDerWaalsContact ND2-OE1 3.13Å; N515-E518 PolarHBondContact ND2-OE2 3.43Å; N515-E518 PolarHBondContact O-N 3.46Å; N515-G522 PolarHBondContact N-O 3.48Å |
| 516 | I | 86 | Confident | 86.3 | Confident | 32 Ų | 32 | 61 Ų | 61 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.6 | -170.6 | -64.8 | 164.9 | 0 | 0 | 0 | 111.8 | I458 I471 F495 L502 | I458-I516 HydrophobicContact CD1-CG2 4.31Å; I458-I516 HydrophobicContact CG2-CD1 4.49Å; I471-I516 HydrophobicContact CD1-CG1 4.24Å; I471-I516 HydrophobicContact CD1-CG2 4.28Å; F495-I516 HydrophobicContact CE1-CD1 3.41Å; F495-I516 VanDerWaalsContact CE1-CD1 3.41Å; F495-I516 HydrophobicContact CZ-CD1 3.9Å; L502-I516 HydrophobicContact CB-CD1 4.25Å |
| 517 | F | 83.7 | Confident | 86.1 | Confident | 146 Ų | 146 | 67.5 Ų | 67.5 | 64% | 0.64 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -17.6 | -177.4 | -68.3 | -64.9 | 0 | 0 | 0 | 114.1 | I458 T500 N515 G519 | I458-F517 HydrophobicContact CD1-CZ 4.33Å; T500-F517 HydrophobicContact CG2-CE2 3.92Å; T500-F517 VanDerWaalsContact OG1-CD2 3.23Å; T500-F517 WeakPolarHBondContact OG1-CD2 3.46Å; T500-F517 WeakPolarHBondContact OG1-CE2 3.27Å; N515-F517 PolarHBondContact O-N 2.96Å; N515-F517 PolarHBondContact OD1-N 3.34Å; F517-G519 PolarHBondContact O-N 2.76Å |
| 518 | E | 79.7 | Confident | 85.8 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -83.4 | 5.9 | 177.5 | -73 | 178.4 | 173.7 | 0 | 0 | 113.3 | N515 | N515-E518 HydrophobicContact CB-CB 4.07Å; N515-E518 HydrophobicContact CB-CG 4.27Å; N515-E518 WeakPolarHBondContact ND2-CG 3.5Å; N515-E518 PolarHBondContact ND2-OE1 2.85Å; N515-E518 VanDerWaalsContact ND2-OE1 3.13Å; N515-E518 PolarHBondContact ND2-OE2 3.43Å; N515-E518 PolarHBondContact O-N 3.46Å |
| 519 | G | 68.7 | Low | 85.6 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | 65.7 | -159.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F517 G521 G522 | F517-G519 PolarHBondContact O-N 2.76Å; G519-G521 PolarHBondContact O-N 3.22Å; G519-G522 PolarHBondContact O-N 3.01Å |
| 520 | K | 63.1 | Low | 85.5 | Confident | 174 Ų | 174 | 60.9 Ų | 60.9 | 76% | 0.757 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -62 | -14.5 | -173.1 | -65.6 | -172.4 | 178 | -174.2 | 0 | 115.2 | ||
| 521 | G | 59.8 | Low | 85.5 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -85.8 | -20.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G519 R523 | G519-G521 PolarHBondContact O-N 3.22Å; G521-R523 PolarHBondContact O-N 3.28Å |
| 522 | G | 71.3 | Confident | 85.6 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | trans | -83.2 | 55.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W514 N515 G519 | W514-G522 WeakPolarHBondContact CA-O 3.44Å; N515-G522 PolarHBondContact N-O 3.48Å; G519-G522 PolarHBondContact O-N 3.01Å | ||
| 523 | R | 81.5 | Confident | 85.6 | Confident | 128 Ų | 128 | 61.9 Ų | 61.9 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.3 | 175.5 | 74.2 | -177.6 | -174.7 | 173 | 2.6 | 111.5 | S484 I512 V513 W514 G521 | S484-R523 PolarHBondContact O-NH1 3.39Å; I512-R523 HydrophobicContact CG2-CB 3.97Å; V513-R523 VanDerWaalsContact O-CA 3.29Å; V513-R523 WeakPolarHBondContact O-CA 3.47Å; W514-R523 HydrophobicContact CD2-CB 4.48Å; W514-R523 HydrophobicContact CE3-CB 3.72Å; W514-R523 HydrophobicContact CZ3-CB 3.8Å; W514-R523 HydrophobicContact CZ3-CG 4.4Å; G521-R523 PolarHBondContact O-N 3.28Å |
| 524 | D | 88 | Confident | 85.6 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.6 | 174.2 | -68.5 | -35.5 | 0 | 0 | 0 | 109.1 | I512 V513 | I512-D524 WeakPolarHBondContact CA-O 3.06Å; V513-D524 PolarHBondContact N-O 2.96Å; V513-D524 PolarHBondContact O-N 2.89Å |
| 525 | A | 92 | Very high | 85.8 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I512 | I512-A525 HydrophobicContact CG1-CB 4.34Å |
| 526 | L | 93 | Very high | 86.1 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.1 | 177 | -50 | 174.3 | 0 | 0 | 0 | 108.8 | R510 V511 V513 I544 F556 | R510-L526 WeakPolarHBondContact CA-O 3.47Å; V511-L526 HydrophobicContact CB-CB 4.3Å; V511-L526 HydrophobicContact CG1-CD1 4.38Å; V511-L526 PolarHBondContact N-O 3.49Å; V511-L526 WeakPolarHBondContact O-CB 3.04Å; V511-L526 PolarHBondContact O-N 3.11Å; V513-L526 HydrophobicContact CG2-CD1 4.02Å; L526-I544 HydrophobicContact CD1-CD1 4.41Å; L526-F556 HydrophobicContact CB-CD1 4.41Å; L526-F556 HydrophobicContact CB-CE1 4.38Å; L526-F556 HydrophobicContact CD1-CB 3.87Å; L526-F556 HydrophobicContact CD1-CD1 4.29Å; L526-F556 HydrophobicContact CD1-CD2 4.34Å; L526-F556 HydrophobicContact CD1-CG 3.92Å; L526-F556 HydrophobicContact CD2-CD1 4.39Å |
| 527 | E | 92.2 | Very high | 86.5 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.3 | 179.7 | -61.2 | -167.5 | 153.7 | 0 | 0 | 111 | R510 | R510-E527 IonicContact NE-OE1 3.75Å; R510-E527 IonicContact NH2-OE1 3.81Å |
| 528 | C | 89.3 | Confident | 87 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | trans | -105.8 | -5.1 | -175.1 | -66 | 0 | 0 | 0 | 0 | 114 | K509 S530 V532 L554 | K509-C528 PolarHBondContact O-N 3.42Å; C528-S530 PolarHBondContact O-N 3.3Å; C528-V532 HydrophobicContact CB-CG2 3.72Å; C528-L554 HydrophobicContact CB-CD1 3.74Å | ||
| 529 | G | 90 | Very high | 87.4 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 68% | 0.68 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 75.4 | -20.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 530 | S | 93.8 | Very high | 88.1 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -142.3 | 170.5 | 173.6 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | K509 C528 C548 N550 | K509-S530 VanDerWaalsContact CA-O 3.3Å; K509-S530 WeakPolarHBondContact CA-O 3.39Å; K509-S530 VanDerWaalsContact CB-O 3.32Å; K509-S530 WeakPolarHBondContact CB-O 3.12Å; C528-S530 PolarHBondContact O-N 3.3Å; S530-C548 VanDerWaalsContact OG-CB 3.32Å; S530-C548 WeakPolarHBondContact OG-CB 3.47Å; S530-N550 PolarHBondContact OG-OD1 2.86Å |
| 531 | E | 95.3 | Very high | 89.2 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | trans | -62.6 | 135 | -175.2 | -54.2 | -177.7 | 178.2 | 0 | 0 | 110.5 | W507 K509 C548 L549 | W507-E531 HydrophobicContact CB-CB 4.46Å; W507-E531 WeakPolarHBondContact O-CG 3.24Å; K509-E531 HydrophobicContact CG-CG 4.42Å; E531-C548 CarbonylContact O-C 3.55Å; E531-C548 WeakPolarHBondContact O-CA 3.22Å; E531-L549 HydrophobicContact CB-CB 4.13Å; E531-L549 HydrophobicContact CB-CD2 4.38Å; E531-L549 HydrophobicContact CG-CD2 4.43Å; E531-L549 PolarHBondContact O-N 3.23Å | ||
| 532 | V | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.3 | -176.8 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | C505 S506 V511 C528 C546 | C505-V532 HydrophobicContact CB-CB 3.88Å; C505-V532 HydrophobicContact CB-CG1 3.49Å; C505-V532 VanDerWaalsContact CB-CG1 3.49Å; S506-V532 PolarHBondContact O-N 2.9Å; V511-V532 HydrophobicContact CG2-CB 4.48Å; V511-V532 HydrophobicContact CG2-CG1 4.07Å; V511-V532 HydrophobicContact CG2-CG2 4.15Å; C528-V532 HydrophobicContact CB-CG2 3.72Å; V532-C546 HydrophobicContact CG1-CB 4.09Å |
| 533 | L | 95.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 47 Ų | 47 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -34 | -173.5 | -61.2 | 176.8 | 0 | 0 | 0 | 112.8 | C491 C547 L549 S593 F594 | C491-L533 WeakPolarHBondContact CB-O 3.36Å; L533-C547 PolarHBondContact N-O 3.02Å; L533-L549 HydrophobicContact CD1-CB 4.4Å; L533-L549 HydrophobicContact CD1-CD1 4.05Å; L533-S593 WeakPolarHBondContact CD1-OG 3.4Å; L533-F594 WeakPolarHBondContact CD1-O 3.42Å |
| 534 | D | 96.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.4 | 177.6 | -168.5 | 16.1 | 0 | 0 | 0 | 110.5 | K536 C547 T596 I597 | D534-K536 WeakPolarHBondContact OD1-CE 3.44Å; D534-K536 IonicContact OD1-NZ 3.89Å; D534-K536 PolarHBondContact OD1-NZ 3Å; D534-K536 WeakPolarHBondContact OD2-CE 3.45Å; D534-K536 IonicContact OD2-NZ 3.27Å; D534-C547 HydrophobicContact CB-CB 4.31Å; D534-C547 PolarHBondContact O-N 3.23Å; D534-T596 WeakPolarHBondContact OD2-CA 3.41Å; D534-I597 HydrophobicContact CB-CG1 4.22Å; D534-I597 PolarHBondContact OD2-N 2.75Å |
| 535 | V | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.3 | 180 | 65.3 | 0 | 0 | 0 | 0 | 110 | A503 C505 V511 I544 A545 | A503-V535 HydrophobicContact CB-CG2 4.07Å; C505-V535 HydrophobicContact CB-CB 3.9Å; C505-V535 HydrophobicContact CB-CG1 3.9Å; V511-V535 HydrophobicContact CG1-CG2 4.04Å; V535-I544 HydrophobicContact CG2-CG2 3.44Å; V535-I544 VanDerWaalsContact CG2-CG2 3.44Å; V535-A545 WeakPolarHBondContact CA-O 3.28Å |
| 536 | K | 96.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 33 Ų | 33 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.5 | 176.5 | -60 | -64.8 | 167.3 | -136.2 | 0 | 111.5 | D534 A545 I597 F599 | D534-K536 WeakPolarHBondContact OD1-CE 3.44Å; D534-K536 IonicContact OD1-NZ 3.89Å; D534-K536 PolarHBondContact OD1-NZ 3Å; D534-K536 WeakPolarHBondContact OD2-CE 3.45Å; D534-K536 IonicContact OD2-NZ 3.27Å; K536-A545 PolarHBondContact N-O 2.94Å; K536-A545 PolarHBondContact O-N 3.41Å; K536-I597 VanDerWaalsContact CE-O 3.32Å; K536-I597 WeakPolarHBondContact CE-O 3.4Å; K536-I597 HydrophobicContact CG-CD1 4.41Å; K536-I597 HydrophobicContact CG-CG1 4.04Å; K536-I597 VanDerWaalsContact CG-O 3.31Å; K536-I597 WeakPolarHBondContact CG-O 3.35Å; K536-F599 HydrophobicContact CB-CD2 4.04Å; K536-F599 HydrophobicContact CB-CE2 4.27Å |
| 537 | F | 95.2 | Very high | 93 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 148.2 | 163.8 | -84 | -82.2 | 0 | 0 | 0 | 111.1 | S494 F495 C496 V501 A503 I544 W558 F599 | S494-F537 WeakPolarHBondContact O-CD2 3.45Å; S494-F537 WeakPolarHBondContact O-CE2 3.15Å; S494-F537 PolarHBondContact OG-N 3.48Å; S494-F537 VanDerWaalsContact OG-N 3.13Å; F495-F537 WeakPolarHBondContact O-CD2 3.45Å; C496-F537 HydrophobicContact CB-CD1 4.07Å; C496-F537 HydrophobicContact CB-CD2 4.28Å; C496-F537 HydrophobicContact CB-CE1 4.04Å; C496-F537 HydrophobicContact CB-CE2 4.23Å; C496-F537 HydrophobicContact CB-CG 4.19Å; C496-F537 HydrophobicContact CB-CZ 4.13Å; V501-F537 HydrophobicContact CG1-CZ 4.21Å; A503-F537 HydrophobicContact CB-CD2 4.17Å; A503-F537 HydrophobicContact CB-CE2 3.39Å; A503-F537 HydrophobicContact CB-CZ 3.84Å; F537-I544 HydrophobicContact CD1-CD1 4.38Å; F537-I544 HydrophobicContact CD1-CG1 3.61Å; F537-I544 HydrophobicContact CE1-CD1 3.61Å; F537-I544 HydrophobicContact CE1-CG1 3.33Å; F537-I544 HydrophobicContact CE2-CD1 4.46Å; F537-I544 HydrophobicContact CE2-CG1 4.44Å; F537-I544 HydrophobicContact CG-CG1 4.28Å; F537-I544 HydrophobicContact CZ-CD1 3.66Å; F537-I544 HydrophobicContact CZ-CG1 3.8Å; F537-W558 HydrophobicContact CE1-CB 4.2Å; F537-W558 HydrophobicContact CE1-CG 4.06Å; F537-F599 WeakPolarHBondContact O-CD2 3.48Å |
| 538 | S | 92.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | trans | -67.2 | 151.9 | 166.8 | 73.1 | 0 | 0 | 0 | 0 | 110.3 | N540 G541 D542 L543 | S538-N540 PolarHBondContact O-N 2.94Å; S538-G541 WeakPolarHBondContact O-CA 3.36Å; S538-G541 PolarHBondContact O-N 3.25Å; S538-G541 PolarHBondContact OG-N 3.35Å; S538-D542 PolarHBondContact OG-N 3.35Å; S538-L543 PolarHBondContact N-O 3.34Å; S538-L543 PolarHBondContact OG-N 2.92Å; S538-L543 VanDerWaalsContact OG-N 3.14Å; S538-L543 PolarHBondContact OG-O 2.95Å | ||
| 539 | P | 88.1 | Confident | 93.4 | Very high | 55 Ų | 55 | 29.1 Ų | 29.1 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31 | -178.5 | -23.6 | 31.6 | 0 | 0 | 0 | 114.2 | G541 F599 S600 P601 | P539-G541 VanDerWaalsContact C-N 3.27Å; P539-F599 HydrophobicContact CG-CB 4.35Å; P539-S600 WeakPolarHBondContact CG-O 3.33Å; P539-P601 WeakPolarHBondContact CB-O 3.35Å; P539-P601 WeakPolarHBondContact CG-O 3.47Å |
| 540 | N | 83.8 | Confident | 93.5 | Very high | 85 Ų | 85 | 28.1 Ų | 28.1 | 46% | 0.455 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.9 | 175.7 | -61.9 | -17.2 | 0 | 0 | 0 | 112.5 | S538 | S538-N540 PolarHBondContact O-N 2.94Š|
| 541 | G | 86.4 | Confident | 93.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 81.4 | 16.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C496 S538 P539 W558 | C496-G541 VanDerWaalsContact SG-CA 3.58Å; S538-G541 WeakPolarHBondContact O-CA 3.36Å; S538-G541 PolarHBondContact O-N 3.25Å; S538-G541 PolarHBondContact OG-N 3.35Å; P539-G541 VanDerWaalsContact C-N 3.27Å; G541-W558 PolarHBondContact O-NE1 2.9Å |
| 542 | D | 87.5 | Confident | 93.4 | Very high | 74 Ų | 74 | 26.2 Ų | 26.2 | 40% | 0.396 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -96.6 | -28.1 | -176.9 | -64.3 | -38.8 | 0 | 0 | 0 | 113.7 | S538 R559 | S538-D542 PolarHBondContact OG-N 3.35Å; D542-R559 IonicContact OD1-CZ 2.84Å; D542-R559 IonicContact OD1-NH1 3.97Å; D542-R559 PolarHBondContact OD1-NH1 3.49Å |
| 543 | L | 93.7 | Very high | 93.4 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.7 | -175.1 | -64.8 | 173.5 | 0 | 0 | 0 | 110.6 | S538 F556 V564 | S538-L543 PolarHBondContact N-O 3.34Å; S538-L543 PolarHBondContact OG-N 2.92Å; S538-L543 VanDerWaalsContact OG-N 3.14Å; S538-L543 PolarHBondContact OG-O 2.95Å; L543-F556 CarbonylContact C-O 3.57Å; L543-F556 WeakPolarHBondContact CA-O 3.28Å; L543-V564 HydrophobicContact CD2-CB 4.49Å; L543-V564 HydrophobicContact CD2-CG2 4.2Å |
| 544 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.4 | 167.3 | -64 | 171.4 | 0 | 0 | 0 | 107.7 | A503 V513 L526 V535 F537 F555 F556 W558 | A503-I544 HydrophobicContact CB-CD1 4.07Å; V513-I544 HydrophobicContact CG2-CD1 3.57Å; L526-I544 HydrophobicContact CD1-CD1 4.41Å; V535-I544 HydrophobicContact CG2-CG2 3.44Å; V535-I544 VanDerWaalsContact CG2-CG2 3.44Å; F537-I544 HydrophobicContact CD1-CD1 4.38Å; F537-I544 HydrophobicContact CD1-CG1 3.61Å; F537-I544 HydrophobicContact CE1-CD1 3.61Å; F537-I544 HydrophobicContact CE1-CG1 3.33Å; F537-I544 HydrophobicContact CE2-CD1 4.46Å; F537-I544 HydrophobicContact CE2-CG1 4.44Å; F537-I544 HydrophobicContact CG-CG1 4.28Å; F537-I544 HydrophobicContact CZ-CD1 3.66Å; F537-I544 HydrophobicContact CZ-CG1 3.8Å; I544-F555 CarbonylContact O-C 3.5Å; I544-F555 VanDerWaalsContact O-CA 3.25Å; I544-F555 WeakPolarHBondContact O-CA 3.3Å; I544-F556 PolarHBondContact N-O 3.44Å; I544-F556 PolarHBondContact O-N 2.98Å; I544-W558 HydrophobicContact CD1-CB 3.45Å; I544-W558 VanDerWaalsContact CD1-CB 3.45Å; I544-W558 HydrophobicContact CG1-CB 3.94Å |
| 545 | A | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V535 K536 I553 L554 F555 I597 F599 I606 | V535-A545 WeakPolarHBondContact CA-O 3.28Å; K536-A545 PolarHBondContact N-O 2.94Å; K536-A545 PolarHBondContact O-N 3.41Å; A545-I553 HydrophobicContact CB-CG2 4.35Å; A545-L554 CarbonylContact C-O 3.58Å; A545-L554 WeakPolarHBondContact CA-O 3.28Å; A545-F555 HydrophobicContact CB-CD1 3.85Å; A545-F555 HydrophobicContact CB-CE1 3.7Å; A545-F555 HydrophobicContact CB-CZ 4.45Å; A545-I597 HydrophobicContact CB-CD1 3.8Å; A545-I597 WeakPolarHBondContact O-CD1 3.5Å; A545-F599 HydrophobicContact CB-CE2 3.46Å; A545-F599 VanDerWaalsContact CB-CE2 3.46Å; A545-F599 HydrophobicContact CB-CZ 3.49Å; A545-F599 VanDerWaalsContact CB-CZ 3.49Å; A545-I606 HydrophobicContact CB-CD1 3.64Å |
| 546 | C | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.7 | -178.9 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | V511 V532 I553 L554 | V511-C546 HydrophobicContact CG2-CB 4.28Å; V511-C546 VanDerWaalsContact CG2-SG 3.6Å; V532-C546 HydrophobicContact CG1-CB 4.09Å; C546-I553 WeakPolarHBondContact O-CA 3.4Å; C546-L554 HydrophobicContact CB-CB 4.48Å; C546-L554 PolarHBondContact N-O 3.09Å; C546-L554 PolarHBondContact O-N 3.46Å |
| 547 | C | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117 | 176.9 | -176 | 0 | 0 | 0 | 0 | 110.2 | L533 D534 F594 I597 | L533-C547 PolarHBondContact N-O 3.02Å; D534-C547 HydrophobicContact CB-CB 4.31Å; D534-C547 PolarHBondContact O-N 3.23Å; C547-F594 WeakPolarHBondContact SG-CB 3.39Å; C547-F594 PolarHBondContact SG-O 2.86Å; C547-F594 VanDerWaalsContact SG-O 3.4Å; C547-I597 HydrophobicContact CB-CD1 3.99Å; C547-I597 HydrophobicContact CB-CG1 4.04Å; C547-I597 HydrophobicContact CB-CG2 3.79Å |
| 548 | C | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 154.2 | -176 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | S530 E531 N550 C551 Q552 | S530-C548 VanDerWaalsContact OG-CB 3.32Å; S530-C548 WeakPolarHBondContact OG-CB 3.47Å; E531-C548 CarbonylContact O-C 3.55Å; E531-C548 WeakPolarHBondContact O-CA 3.22Å; C548-N550 WeakPolarHBondContact CB-OD1 2.93Å; C548-N550 PolarHBondContact O-N 3.36Å; C548-C551 PolarHBondContact O-N 3.33Å; C548-Q552 WeakPolarHBondContact CB-O 3.06Å; C548-Q552 PolarHBondContact N-O 3.2Å |
| 549 | L | 93.8 | Very high | 92.9 | Very high | 73 Ų | 73 | 29.7 Ų | 29.7 | 38% | 0.382 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.4 | 178.6 | -178.4 | 66.5 | 0 | 0 | 0 | 113.1 | E531 L533 C551 S593 | E531-L549 HydrophobicContact CB-CB 4.13Å; E531-L549 HydrophobicContact CB-CD2 4.38Å; E531-L549 HydrophobicContact CG-CD2 4.43Å; E531-L549 PolarHBondContact O-N 3.23Å; L533-L549 HydrophobicContact CD1-CB 4.4Å; L533-L549 HydrophobicContact CD1-CD1 4.05Å; L549-C551 PolarHBondContact O-N 3.17Å; L549-S593 VanDerWaalsContact O-CB 3.3Å; L549-S593 WeakPolarHBondContact O-CB 3.08Å |
| 550 | N | 91.8 | Very high | 93 | Very high | 45 Ų | 45 | 31 Ų | 31 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 8.9 | 176.4 | 68.8 | -6.8 | 0 | 0 | 0 | 114.2 | S530 C548 Q552 | S530-N550 PolarHBondContact OG-OD1 2.86Å; C548-N550 WeakPolarHBondContact CB-OD1 2.93Å; C548-N550 PolarHBondContact O-N 3.36Å; N550-Q552 VanDerWaalsContact C-N 3.29Å; N550-Q552 PolarHBondContact ND2-OE1 3.44Å; N550-Q552 PolarHBondContact O-N 3.26Å; N550-Q552 WeakPolarHBondContact OD1-CB 3.06Å; N550-Q552 PolarHBondContact OD1-N 3.16Å; N550-Q552 VanDerWaalsContact OD1-N 3.08Å |
| 551 | C | 92.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 69.3 | 17.1 | -177.7 | -45.9 | 0 | 0 | 0 | 0 | 115.2 | C548 L549 G569 R570 L573 K592 S593 F594 | C548-C551 PolarHBondContact O-N 3.33Å; L549-C551 PolarHBondContact O-N 3.17Å; C551-G569 PolarHBondContact O-N 3.35Å; C551-R570 HydrophobicContact CB-CB 4.13Å; C551-L573 HydrophobicContact CB-CD1 4.27Å; C551-L573 WeakPolarHBondContact SG-CD1 3.38Å; C551-K592 PolarHBondContact SG-O 2.86Å; C551-S593 VanDerWaalsContact SG-CA 3.58Å; C551-F594 HydrophobicContact CB-CD2 4.2Å; C551-F594 HydrophobicContact CB-CE2 4.3Å |
| 552 | Q | 94.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 32 Ų | 32 | 22% | 0.224 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.9 | 168.8 | -67.3 | 177.8 | -30.5 | 0 | 0 | 110.6 | C548 N550 L554 I567 E568 | C548-Q552 WeakPolarHBondContact CB-O 3.06Å; C548-Q552 PolarHBondContact N-O 3.2Å; N550-Q552 VanDerWaalsContact C-N 3.29Å; N550-Q552 PolarHBondContact ND2-OE1 3.44Å; N550-Q552 PolarHBondContact O-N 3.26Å; N550-Q552 WeakPolarHBondContact OD1-CB 3.06Å; N550-Q552 PolarHBondContact OD1-N 3.16Å; N550-Q552 VanDerWaalsContact OD1-N 3.08Å; Q552-L554 HydrophobicContact CB-CD2 4.42Å; Q552-I567 CarbonylContact C-O 3.58Å; Q552-I567 WeakPolarHBondContact CA-O 3.36Å; Q552-E568 HydrophobicContact CG-CG 4.37Å; Q552-E568 PolarHBondContact NE2-OE1 2.79Å |
| 553 | I | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111 | 168.9 | -51.9 | 172.4 | 0 | 0 | 0 | 106.9 | A545 C546 F555 T566 I567 I597 I606 A608 Y618 | A545-I553 HydrophobicContact CB-CG2 4.35Å; C546-I553 WeakPolarHBondContact O-CA 3.4Å; I553-F555 HydrophobicContact CB-CE2 4.38Å; I553-F555 HydrophobicContact CG2-CE2 3.83Å; I553-F555 HydrophobicContact CG2-CZ 3.81Å; I553-T566 WeakPolarHBondContact O-CA 3.27Å; I553-I567 HydrophobicContact CB-CB 4.24Å; I553-I567 PolarHBondContact N-O 3.36Å; I553-I567 PolarHBondContact O-N 3.35Å; I553-I597 HydrophobicContact CD1-CG2 4.31Å; I553-I606 HydrophobicContact CG2-CD1 4.25Å; I553-A608 HydrophobicContact CD1-CB 3.75Å; I553-Y618 HydrophobicContact CD1-CD2 4.11Å; I553-Y618 HydrophobicContact CD1-CE2 3.99Å |
| 554 | L | 96.7 | Very high | 93.8 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.8 | -179.4 | -56.8 | 178.7 | 0 | 0 | 0 | 109.4 | C528 A545 C546 Q552 F556 T566 | C528-L554 HydrophobicContact CB-CD1 3.74Å; A545-L554 CarbonylContact C-O 3.58Å; A545-L554 WeakPolarHBondContact CA-O 3.28Å; C546-L554 HydrophobicContact CB-CB 4.48Å; C546-L554 PolarHBondContact N-O 3.09Å; C546-L554 PolarHBondContact O-N 3.46Å; Q552-L554 HydrophobicContact CB-CD2 4.42Å; L554-F556 HydrophobicContact CB-CD2 4.34Å; L554-F556 HydrophobicContact CB-CE2 3.63Å; L554-F556 HydrophobicContact CB-CZ 4.3Å; L554-F556 HydrophobicContact CD1-CE2 4.17Å; L554-F556 HydrophobicContact CD1-CZ 4.23Å; L554-T566 HydrophobicContact CD2-CG2 3.69Å |
| 555 | F | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.4 | 174.4 | -59.4 | -97.7 | 0 | 0 | 0 | 110.1 | I544 A545 I553 Q563 V564 L565 I567 F599 I606 V620 | I544-F555 CarbonylContact O-C 3.5Å; I544-F555 VanDerWaalsContact O-CA 3.25Å; I544-F555 WeakPolarHBondContact O-CA 3.3Å; A545-F555 HydrophobicContact CB-CD1 3.85Å; A545-F555 HydrophobicContact CB-CE1 3.7Å; A545-F555 HydrophobicContact CB-CZ 4.45Å; I553-F555 HydrophobicContact CB-CE2 4.38Å; I553-F555 HydrophobicContact CG2-CE2 3.83Å; I553-F555 HydrophobicContact CG2-CZ 3.81Å; F555-Q563 CarbonylContact O-C 3.54Å; F555-Q563 WeakPolarHBondContact O-CA 2.92Å; F555-V564 PolarHBondContact O-N 3Å; F555-L565 HydrophobicContact CB-CB 3.87Å; F555-L565 HydrophobicContact CD2-CB 3.67Å; F555-L565 HydrophobicContact CG-CB 4Å; F555-L565 PolarHBondContact N-O 3.17Å; F555-L565 PolarHBondContact O-N 2.86Å; F555-I567 HydrophobicContact CE2-CD1 3.6Å; F555-I567 HydrophobicContact CE2-CG1 3.9Å; F555-I567 HydrophobicContact CZ-CD1 3.85Å; F555-F599 HydrophobicContact CD1-CE1 4.41Å; F555-F599 HydrophobicContact CD1-CZ 4.01Å; F555-F599 AromaticContact CE1-CE1 3.83Å; F555-F599 HydrophobicContact CE1-CE1 3.83Å; F555-F599 AromaticContact CE1-CZ 3.71Å; F555-F599 HydrophobicContact CE1-CZ 3.71Å; F555-I606 HydrophobicContact CE1-CD1 4.09Å; F555-I606 HydrophobicContact CZ-CD1 4.17Å; F555-I606 HydrophobicContact CZ-CG2 4.22Å; F555-V620 HydrophobicContact CD1-CG1 3.97Å; F555-V620 HydrophobicContact CE1-CB 4.47Å; F555-V620 HydrophobicContact CE1-CG1 3.62Å; F555-V620 HydrophobicContact CE1-CG2 4.12Å; F555-V620 HydrophobicContact CZ-CG1 3.99Å; F555-V620 HydrophobicContact CZ-CG2 4.28Å |
| 556 | F | 95.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.5 | 177.1 | -65.4 | -92 | 0 | 0 | 0 | 110.3 | L526 L543 I544 L554 T562 Q563 | L526-F556 HydrophobicContact CB-CD1 4.41Å; L526-F556 HydrophobicContact CB-CE1 4.38Å; L526-F556 HydrophobicContact CD1-CB 3.87Å; L526-F556 HydrophobicContact CD1-CD1 4.29Å; L526-F556 HydrophobicContact CD1-CD2 4.34Å; L526-F556 HydrophobicContact CD1-CG 3.92Å; L526-F556 HydrophobicContact CD2-CD1 4.39Å; L543-F556 CarbonylContact C-O 3.57Å; L543-F556 WeakPolarHBondContact CA-O 3.28Å; I544-F556 PolarHBondContact N-O 3.44Å; I544-F556 PolarHBondContact O-N 2.98Å; L554-F556 HydrophobicContact CB-CD2 4.34Å; L554-F556 HydrophobicContact CB-CE2 3.63Å; L554-F556 HydrophobicContact CB-CZ 4.3Å; L554-F556 HydrophobicContact CD1-CE2 4.17Å; L554-F556 HydrophobicContact CD1-CZ 4.23Å; F556-T562 CarbonylContact C-O 3.56Å; F556-T562 VanDerWaalsContact CA-O 3.27Å; F556-T562 WeakPolarHBondContact CA-O 3.11Å; F556-Q563 HydrophobicContact CD1-CB 3.88Å; F556-Q563 HydrophobicContact CE1-CB 3.62Å; F556-Q563 HydrophobicContact CE1-CG 4.19Å; F556-Q563 HydrophobicContact CZ-CB 4.29Å; F556-Q563 HydrophobicContact CZ-CG 4.38Å |
| 557 | D | 94.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.2 | 159.3 | 170.2 | 17.4 | 0 | 0 | 0 | 107.6 | R559 T560 G561 T562 V564 | D557-R559 VanDerWaalsContact C-N 3.28Å; D557-R559 PolarHBondContact O-N 3.31Å; D557-R559 PolarHBondContact OD1-N 3.46Å; D557-R559 VanDerWaalsContact OD1-N 3.11Å; D557-T560 WeakPolarHBondContact CB-OG1 3.39Å; D557-T560 VanDerWaalsContact CG-OG1 3.23Å; D557-T560 WeakPolarHBondContact OD2-CB 3.33Å; D557-T560 VanDerWaalsContact OD2-CG2 3.22Å; D557-T560 WeakPolarHBondContact OD2-CG2 3.42Å; D557-T560 PolarHBondContact OD2-OG1 3.26Å; D557-G561 WeakPolarHBondContact O-CA 3.43Å; D557-G561 PolarHBondContact O-N 2.98Å; D557-T562 PolarHBondContact N-O 3.05Å; D557-T562 PolarHBondContact O-N 3.33Å; D557-V564 HydrophobicContact CB-CG2 3.75Å |
| 558 | W | 89.1 | Confident | 93.6 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25 | -172.5 | 75.4 | -90.7 | 0 | 0 | 0 | 112.8 | E499 V501 V513 F537 G541 I544 | E499-W558 VanDerWaalsContact OE2-CH2 3.22Å; E499-W558 WeakPolarHBondContact OE2-CH2 3.4Å; E499-W558 WeakPolarHBondContact OE2-CZ2 3.46Å; V501-W558 HydrophobicContact CG1-CE3 4.35Å; V501-W558 HydrophobicContact CG1-CZ3 4.32Å; V501-W558 HydrophobicContact CG2-CH2 4.05Å; V501-W558 HydrophobicContact CG2-CZ3 4.12Å; V513-W558 HydrophobicContact CG1-CE3 4.29Å; F537-W558 HydrophobicContact CE1-CB 4.2Å; F537-W558 HydrophobicContact CE1-CG 4.06Å; G541-W558 PolarHBondContact O-NE1 2.9Å; I544-W558 HydrophobicContact CD1-CB 3.45Å; I544-W558 VanDerWaalsContact CD1-CB 3.45Å; I544-W558 HydrophobicContact CG1-CB 3.94Å |
| 559 | R | 89.6 | Confident | 93.3 | Very high | 122 Ų | 122 | 45.4 Ų | 45.4 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -36.1 | -178.3 | -64.8 | -172.4 | 177.2 | 97.6 | -1.1 | 112 | E499 D542 D557 | E499-R559 IonicContact OE1-NH2 3.58Å; E499-R559 PolarHBondContact OE1-NH2 3.09Å; D542-R559 IonicContact OD1-CZ 2.84Å; D542-R559 IonicContact OD1-NH1 3.97Å; D542-R559 PolarHBondContact OD1-NH1 3.49Å; D557-R559 VanDerWaalsContact C-N 3.28Å; D557-R559 PolarHBondContact O-N 3.31Å; D557-R559 PolarHBondContact OD1-N 3.46Å; D557-R559 VanDerWaalsContact OD1-N 3.11Å |
| 560 | T | 90.5 | Very high | 93 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -17.8 | 179.1 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | D557 T562 | D557-T560 WeakPolarHBondContact CB-OG1 3.39Å; D557-T560 VanDerWaalsContact CG-OG1 3.23Å; D557-T560 WeakPolarHBondContact OD2-CB 3.33Å; D557-T560 VanDerWaalsContact OD2-CG2 3.22Å; D557-T560 WeakPolarHBondContact OD2-CG2 3.42Å; D557-T560 PolarHBondContact OD2-OG1 3.26Å; T560-T562 PolarHBondContact O-N 3.37Å; T560-T562 PolarHBondContact OG1-N 3.14Å; T560-T562 PolarHBondContact OG1-OG1 3.36Å |
| 561 | G | 88.6 | Confident | 92.8 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 15.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D557 | D557-G561 WeakPolarHBondContact O-CA 3.43Å; D557-G561 PolarHBondContact O-N 2.98Å |
| 562 | T | 92.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 54 Ų | 54 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140.3 | -175.9 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | F556 D557 T560 V564 | F556-T562 CarbonylContact C-O 3.56Å; F556-T562 VanDerWaalsContact CA-O 3.27Å; F556-T562 WeakPolarHBondContact CA-O 3.11Å; D557-T562 PolarHBondContact N-O 3.05Å; D557-T562 PolarHBondContact O-N 3.33Å; T560-T562 PolarHBondContact O-N 3.37Å; T560-T562 PolarHBondContact OG1-N 3.14Å; T560-T562 PolarHBondContact OG1-OG1 3.36Å; T562-V564 PolarHBondContact O-N 2.77Å |
| 563 | Q | 93.8 | Very high | 92.2 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122.6 | 169.7 | -175.6 | -179.4 | -32.3 | 0 | 0 | 109 | F555 F556 T566 | F555-Q563 CarbonylContact O-C 3.54Å; F555-Q563 WeakPolarHBondContact O-CA 2.92Å; F556-Q563 HydrophobicContact CD1-CB 3.88Å; F556-Q563 HydrophobicContact CE1-CB 3.62Å; F556-Q563 HydrophobicContact CE1-CG 4.19Å; F556-Q563 HydrophobicContact CZ-CB 4.29Å; F556-Q563 HydrophobicContact CZ-CG 4.38Å; Q563-T566 PolarHBondContact NE2-OG1 3.3Å |
| 564 | V | 93.8 | Very high | 91.4 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -46.1 | -175.5 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | L543 F555 D557 T562 | L543-V564 HydrophobicContact CD2-CB 4.49Å; L543-V564 HydrophobicContact CD2-CG2 4.2Å; F555-V564 PolarHBondContact O-N 3Å; D557-V564 HydrophobicContact CB-CG2 3.75Å; T562-V564 PolarHBondContact O-N 2.77Å |
| 565 | L | 95.1 | Very high | 90.4 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.6 | -172.9 | -55.2 | 167.6 | 0 | 0 | 0 | 111 | F555 V620 E623 | F555-L565 HydrophobicContact CB-CB 3.87Å; F555-L565 HydrophobicContact CD2-CB 3.67Å; F555-L565 HydrophobicContact CG-CB 4Å; F555-L565 PolarHBondContact N-O 3.17Å; F555-L565 PolarHBondContact O-N 2.86Å; L565-V620 HydrophobicContact CD1-CG1 3.85Å; L565-E623 WeakPolarHBondContact CA-OE1 3.35Å; L565-E623 HydrophobicContact CB-CG 4.35Å; L565-E623 WeakPolarHBondContact CB-OE1 3.49Å; L565-E623 HydrophobicContact CD2-CG 4.29Å; L565-E623 VanDerWaalsContact CD2-OE1 3.32Å; L565-E623 WeakPolarHBondContact CD2-OE1 3.47Å |
| 566 | T | 95.4 | Very high | 89.3 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 132.5 | 176.1 | -62 | 0 | 0 | 0 | 0 | 111.9 | I553 L554 Q563 E623 | I553-T566 WeakPolarHBondContact O-CA 3.27Å; L554-T566 HydrophobicContact CD2-CG2 3.69Å; Q563-T566 PolarHBondContact NE2-OG1 3.3Å; T566-E623 PolarHBondContact N-OE1 3.35Å |
| 567 | I | 95.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.2 | 174.9 | -61.6 | 171.3 | 0 | 0 | 0 | 108.8 | Q552 I553 F555 I606 Y618 E623 | Q552-I567 CarbonylContact C-O 3.58Å; Q552-I567 WeakPolarHBondContact CA-O 3.36Å; I553-I567 HydrophobicContact CB-CB 4.24Å; I553-I567 PolarHBondContact N-O 3.36Å; I553-I567 PolarHBondContact O-N 3.35Å; F555-I567 HydrophobicContact CE2-CD1 3.6Å; F555-I567 HydrophobicContact CE2-CG1 3.9Å; F555-I567 HydrophobicContact CZ-CD1 3.85Å; I567-I606 HydrophobicContact CD1-CG2 4.43Å; I567-Y618 HydrophobicContact CD1-CD1 4.45Å; I567-Y618 HydrophobicContact CD1-CG 4.1Å; I567-Y618 HydrophobicContact CG2-CD1 3.55Å; I567-Y618 HydrophobicContact CG2-CD2 4.43Å; I567-Y618 HydrophobicContact CG2-CE1 3.58Å; I567-Y618 HydrophobicContact CG2-CE2 4.44Å; I567-Y618 HydrophobicContact CG2-CG 4.01Å; I567-E623 HydrophobicContact CG1-CB 4.16Å; I567-E623 HydrophobicContact CG1-CG 4.47Å |
| 568 | E | 93.3 | Very high | 88.1 | Confident | 142 Ų | 142 | 56.9 Ų | 56.9 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 96.6 | 175.4 | -60 | -161.7 | 144.5 | 0 | 0 | 111 | Q552 | Q552-E568 HydrophobicContact CG-CG 4.37Å; Q552-E568 PolarHBondContact NE2-OE1 2.79Å |
| 569 | G | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -98.5 | 17.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C551 L571 D572 Y618 | C551-G569 PolarHBondContact O-N 3.35Å; G569-L571 VanDerWaalsContact C-N 3.33Å; G569-L571 PolarHBondContact O-N 2.99Å; G569-D572 PolarHBondContact O-N 3.42Å; G569-D572 VanDerWaalsContact O-N 3.11Å; G569-Y618 WeakPolarHBondContact CA-OH 3.42Å | ||
| 570 | R | 87.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -37.9 | -174.8 | -169.7 | 172.9 | -155.8 | 147 | 10.7 | 113.4 | C551 D572 L590 | C551-R570 HydrophobicContact CB-CB 4.13Å; R570-D572 VanDerWaalsContact C-N 3.3Å; R570-L590 VanDerWaalsContact NE-CD2 3.32Å; R570-L590 PolarHBondContact NH2-O 3Å |
| 571 | L | 86.8 | Confident | 87.1 | Confident | 159 Ų | 159 | 52.4 Ų | 52.4 | 83% | 0.832 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7 | 178.3 | -61.3 | 176.9 | 0 | 0 | 0 | 112.5 | G569 | G569-L571 VanDerWaalsContact C-N 3.33Å; G569-L571 PolarHBondContact O-N 2.99Å |
| 572 | D | 90.3 | Very high | 86.9 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -19.3 | -178 | -67.1 | -37.4 | 0 | 0 | 0 | 112.9 | G569 R570 D574 Y618 I625 K628 | G569-D572 PolarHBondContact O-N 3.42Å; G569-D572 VanDerWaalsContact O-N 3.11Å; R570-D572 VanDerWaalsContact C-N 3.3Å; D572-D574 PolarHBondContact O-N 3.26Å; D572-D574 VanDerWaalsContact O-N 3.1Å; D572-Y618 WeakPolarHBondContact CB-OH 3.48Å; D572-Y618 WeakPolarHBondContact OD2-CE1 3.23Å; D572-Y618 PolarHBondContact OD2-OH 3.12Å; D572-I625 HydrophobicContact CB-CD1 4.06Å; D572-K628 WeakPolarHBondContact O-CE 3.32Å; D572-K628 PolarHBondContact O-NZ 2.6Å; D572-K628 IonicContact OD1-NZ 2.78Å |
| 573 | L | 83.2 | Confident | 86.6 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -73 | 94.3 | 171.3 | -67.6 | 173.4 | 0 | 0 | 0 | 109.8 | C551 T575 F594 | C551-L573 HydrophobicContact CB-CD1 4.27Å; C551-L573 WeakPolarHBondContact SG-CD1 3.38Å; L573-T575 HydrophobicContact CB-CG2 3.78Å; L573-T575 PolarHBondContact O-N 3.32Å; L573-T575 PolarHBondContact O-OG1 2.94Å; L573-T575 VanDerWaalsContact O-OG1 3.09Å; L573-F594 HydrophobicContact CD2-CD1 3.68Å; L573-F594 HydrophobicContact CD2-CE1 3.27Å; L573-F594 HydrophobicContact CD2-CE2 4.37Å; L573-F594 HydrophobicContact CD2-CG 4.39Å; L573-F594 HydrophobicContact CD2-CZ 3.65Å; L573-F594 HydrophobicContact CG-CE1 4Å; L573-F594 HydrophobicContact CG-CE2 4.29Å; L573-F594 HydrophobicContact CG-CZ 3.83Å | ||
| 574 | D | 81 | Confident | 86.1 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | trans | -66.8 | 84.3 | 170.8 | -59.6 | -10.9 | 0 | 0 | 0 | 108.8 | D572 P613 V614 K628 | D572-D574 PolarHBondContact O-N 3.26Å; D572-D574 VanDerWaalsContact O-N 3.1Å; D574-P613 WeakPolarHBondContact O-CD 3.34Å; D574-V614 HydrophobicContact CB-CG2 3.76Å; D574-K628 IonicContact OD1-NZ 3.82Å; D574-K628 PolarHBondContact OD1-NZ 3.21Å; D574-K628 IonicContact OD2-NZ 3.96Å | ||
| 575 | T | 74.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | trans | -106.9 | 128.4 | -168.7 | 40.8 | 0 | 0 | 0 | 0 | 111.2 | L573 A589 K592 | L573-T575 HydrophobicContact CB-CG2 3.78Å; L573-T575 PolarHBondContact O-N 3.32Å; L573-T575 PolarHBondContact O-OG1 2.94Å; L573-T575 VanDerWaalsContact O-OG1 3.09Å; T575-A589 WeakPolarHBondContact OG1-CA 3.49Å; T575-A589 WeakPolarHBondContact OG1-CB 3.47Å; T575-K592 HydrophobicContact CG2-CB 3.89Å; T575-K592 HydrophobicContact CG2-CD 3.49Å; T575-K592 VanDerWaalsContact CG2-CD 3.49Å; T575-K592 HydrophobicContact CG2-CG 4.31Å | ||
| 576 | A | 74.4 | Confident | 85 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -87 | 161.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | K592 C639 D641 | A576-K592 PolarHBondContact O-NZ 3.48Å; A576-C639 HydrophobicContact CB-CB 4.28Å; A576-C639 WeakPolarHBondContact CB-O 3.38Å; A576-D641 WeakPolarHBondContact CB-O 3.3Å |
| 577 | R | 81.8 | Confident | 84.6 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -78 | 132.6 | 162.7 | 173.5 | -176.5 | 176.8 | 178.7 | 4.7 | 110 | E581 V582 T583 E585 V644 | R577-E581 HydrophobicContact CG-CB 4.12Å; R577-E581 VanDerWaalsContact CZ-O 3.23Å; R577-E581 PolarHBondContact NE-O 2.75Å; R577-E581 PolarHBondContact NH2-O 2.83Å; R577-V582 PolarHBondContact NH2-O 2.79Å; R577-T583 VanDerWaalsContact CD-O 3.24Å; R577-T583 WeakPolarHBondContact CD-O 3.49Å; R577-T583 VanDerWaalsContact CZ-O 3.24Å; R577-T583 PolarHBondContact NE-O 2.79Å; R577-E585 HydrophobicContact CB-CB 4.36Å; R577-E585 HydrophobicContact CB-CG 3.45Å; R577-E585 VanDerWaalsContact CB-CG 3.45Å; R577-V644 HydrophobicContact CB-CG2 4.43Å; R577-V644 HydrophobicContact CG-CG2 4.29Å |
| 578 | G | 82.6 | Confident | 84 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 154.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T580 E581 D638 C639 | G578-T580 PolarHBondContact O-N 2.95Å; G578-E581 PolarHBondContact N-OE2 2.76Å; G578-E581 PolarHBondContact O-N 3.36Å; G578-E581 VanDerWaalsContact O-N 3.1Å; G578-D638 WeakPolarHBondContact CA-OD1 3.49Å; G578-D638 WeakPolarHBondContact CA-OD2 3.42Å; G578-C639 WeakPolarHBondContact CA-SG 3.39Å |
| 579 | E | 82 | Confident | 83.5 | Confident | 24 Ų | 24 | 58 Ų | 58 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.6 | -179.7 | -77.4 | -178.8 | 176.6 | 0 | 0 | 112.5 | D638 K648 N654 A656 L657 K687 | E579-D638 PolarHBondContact N-OD1 2.94Å; E579-D638 PolarHBondContact N-OD2 3.5Å; E579-K648 IonicContact OE1-NZ 2.83Å; E579-N654 WeakPolarHBondContact CB-ND2 3.5Å; E579-N654 PolarHBondContact O-ND2 3.5Å; E579-N654 VanDerWaalsContact O-ND2 3.1Å; E579-A656 WeakPolarHBondContact OE2-CB 3.49Å; E579-L657 HydrophobicContact CB-CD2 4.48Å; E579-K687 IonicContact OE1-NZ 3.05Å; E579-K687 PolarHBondContact OE1-NZ 3.38Å; E579-K687 IonicContact OE2-NZ 3.44Å |
| 580 | T | 82.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -16.2 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | G578 L657 | G578-T580 PolarHBondContact O-N 2.95Å; T580-L657 HydrophobicContact CG2-CD1 4.29Å; T580-L657 HydrophobicContact CG2-CD2 3.7Å |
| 581 | E | 83.8 | Confident | 83 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | trans | -81.8 | 129.9 | -173.5 | -65.7 | 179.2 | 155.9 | 0 | 0 | 111.4 | R577 G578 S588 | R577-E581 HydrophobicContact CG-CB 4.12Å; R577-E581 VanDerWaalsContact CZ-O 3.23Å; R577-E581 PolarHBondContact NE-O 2.75Å; R577-E581 PolarHBondContact NH2-O 2.83Å; G578-E581 PolarHBondContact N-OE2 2.76Å; G578-E581 PolarHBondContact O-N 3.36Å; G578-E581 VanDerWaalsContact O-N 3.1Å; E581-S588 VanDerWaalsContact CD-OG 3.22Å; E581-S588 PolarHBondContact OE1-OG 3.07Å; E581-S588 WeakPolarHBondContact OE2-CB 3.32Å; E581-S588 PolarHBondContact OE2-OG 2.82Å | ||
| 582 | V | 84.6 | Confident | 83.1 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 81% | 0.812 | 30% | 0.3 | S | S | * | . | trans | -89.6 | -14.5 | 178.9 | -172.2 | 0 | 0 | 0 | 0 | 112 | R577 | R577-V582 PolarHBondContact NH2-O 2.79Š| ||
| 583 | T | 85.1 | Confident | 83.2 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -75.9 | 161.9 | -178 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | R577 T587 | R577-T583 VanDerWaalsContact CD-O 3.24Å; R577-T583 WeakPolarHBondContact CD-O 3.49Å; R577-T583 VanDerWaalsContact CZ-O 3.24Å; R577-T583 PolarHBondContact NE-O 2.79Å; T583-T587 HydrophobicContact CG2-CG2 4.48Å |
| 584 | K | 84.4 | Confident | 83.7 | Confident | 160 Ų | 160 | 53.4 Ų | 53.4 | 70% | 0.696 | 29% | 0.293 | S | S | * | . | trans | -67.3 | 150.9 | 170.5 | -67 | -178.3 | 179.8 | 178.8 | 0 | 109.9 | T586 T587 S588 | K584-T586 VanDerWaalsContact C-N 3.29Å; K584-T586 PolarHBondContact O-N 2.87Å; K584-T587 WeakPolarHBondContact O-CA 2.99Å; K584-T587 WeakPolarHBondContact O-CB 3.21Å; K584-T587 PolarHBondContact O-N 2.77Å; K584-S588 PolarHBondContact O-N 3.49Å | ||
| 585 | E | 81.3 | Confident | 84.3 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50 | -47.4 | 176.9 | -69.4 | 155.6 | -159.6 | 0 | 0 | 112.4 | R577 T587 S588 A589 D642 H643 | R577-E585 HydrophobicContact CB-CB 4.36Å; R577-E585 HydrophobicContact CB-CG 3.45Å; R577-E585 VanDerWaalsContact CB-CG 3.45Å; E585-T587 PolarHBondContact O-N 3.28Å; E585-T587 VanDerWaalsContact O-N 3.15Å; E585-S588 PolarHBondContact O-N 3.43Å; E585-S588 VanDerWaalsContact O-N 3.14Å; E585-A589 WeakPolarHBondContact O-CB 3.31Å; E585-A589 PolarHBondContact O-N 3.48Å; E585-D642 VanDerWaalsContact CD-O 3.26Å; E585-H643 IonicContact OE1-CE1 3.53Å; E585-H643 IonicContact OE1-CG 2.75Å; E585-H643 IonicContact OE1-ND1 3.48Å; E585-H643 PolarHBondContact OE1-ND1 3.3Å; E585-H643 IonicContact OE2-CE1 3.97Å; E585-H643 PolarHBondContact OE2-CE1 2.92Å; E585-H643 IonicContact OE2-ND1 3.88Å; E585-H643 PolarHBondContact OE2-ND1 2.97Å |
| 586 | T | 83.9 | Confident | 85.3 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.5 | -32.1 | 178.6 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | K584 L590 | K584-T586 VanDerWaalsContact C-N 3.29Å; K584-T586 PolarHBondContact O-N 2.87Å; T586-L590 WeakPolarHBondContact O-CG 3.28Å |
| 587 | T | 86.4 | Confident | 86.4 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -84.4 | -37.9 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | T583 K584 E585 L590 | T583-T587 HydrophobicContact CG2-CG2 4.48Å; K584-T587 WeakPolarHBondContact O-CA 2.99Å; K584-T587 WeakPolarHBondContact O-CB 3.21Å; K584-T587 PolarHBondContact O-N 2.77Å; E585-T587 PolarHBondContact O-N 3.28Å; E585-T587 VanDerWaalsContact O-N 3.15Å; T587-L590 WeakPolarHBondContact O-CB 3.47Å; T587-L590 PolarHBondContact O-N 2.84Å |
| 588 | S | 84.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 172.4 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | E581 K584 E585 L590 T591 | E581-S588 VanDerWaalsContact CD-OG 3.22Å; E581-S588 PolarHBondContact OE1-OG 3.07Å; E581-S588 WeakPolarHBondContact OE2-CB 3.32Å; E581-S588 PolarHBondContact OE2-OG 2.82Å; K584-S588 PolarHBondContact O-N 3.49Å; E585-S588 PolarHBondContact O-N 3.43Å; E585-S588 VanDerWaalsContact O-N 3.14Å; S588-L590 PolarHBondContact O-N 2.9Å; S588-L590 VanDerWaalsContact O-N 3.12Å; S588-T591 WeakPolarHBondContact O-CB 3.19Å; S588-T591 PolarHBondContact O-N 3.05Å; S588-T591 PolarHBondContact O-OG1 2.93Å |
| 589 | A | 82 | Confident | 87.7 | Confident | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.5 | -34.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T575 E585 T591 K592 | T575-A589 WeakPolarHBondContact OG1-CA 3.49Å; T575-A589 WeakPolarHBondContact OG1-CB 3.47Å; E585-A589 WeakPolarHBondContact O-CB 3.31Å; E585-A589 PolarHBondContact O-N 3.48Å; A589-T591 PolarHBondContact O-N 2.64Å; A589-K592 PolarHBondContact O-N 3.08Å |
| 590 | L | 83.6 | Confident | 88.3 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 48% | 0.482 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.4 | 177.8 | -61.6 | 174.8 | 0 | 0 | 0 | 113.6 | R570 T586 T587 S588 | R570-L590 VanDerWaalsContact NE-CD2 3.32Å; R570-L590 PolarHBondContact NH2-O 3Å; T586-L590 WeakPolarHBondContact O-CG 3.28Å; T587-L590 WeakPolarHBondContact O-CB 3.47Å; T587-L590 PolarHBondContact O-N 2.84Å; S588-L590 PolarHBondContact O-N 2.9Å; S588-L590 VanDerWaalsContact O-N 3.12Å |
| 591 | T | 84.6 | Confident | 88.6 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 56% | 0.564 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -12.4 | -177.5 | 70.2 | 0 | 0 | 0 | 0 | 113.3 | S588 A589 | S588-T591 WeakPolarHBondContact O-CB 3.19Å; S588-T591 PolarHBondContact O-N 3.05Å; S588-T591 PolarHBondContact O-OG1 2.93Å; A589-T591 PolarHBondContact O-N 2.64Å |
| 592 | K | 88.3 | Confident | 88.7 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | trans | -93.7 | 143.4 | -178.4 | -66.4 | 177.9 | 179.4 | -170 | 0 | 110 | C551 T575 A576 A589 C639 | C551-K592 PolarHBondContact SG-O 2.86Å; T575-K592 HydrophobicContact CG2-CB 3.89Å; T575-K592 HydrophobicContact CG2-CD 3.49Å; T575-K592 VanDerWaalsContact CG2-CD 3.49Å; T575-K592 HydrophobicContact CG2-CG 4.31Å; A576-K592 PolarHBondContact O-NZ 3.48Å; A589-K592 PolarHBondContact O-N 3.08Å; K592-C639 PolarHBondContact NZ-SG 2.88Å | ||
| 593 | S | 91.9 | Very high | 89 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | trans | -142.5 | 161.5 | -175.4 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | L533 L549 C551 R611 | L533-S593 WeakPolarHBondContact CD1-OG 3.4Å; L549-S593 VanDerWaalsContact O-CB 3.3Å; L549-S593 WeakPolarHBondContact O-CB 3.08Å; C551-S593 VanDerWaalsContact SG-CA 3.58Å; S593-R611 PolarHBondContact O-N 3Å | ||
| 594 | F | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 137.8 | 159.5 | -60.3 | -61.1 | 0 | 0 | 0 | 108.8 | L533 C547 C551 L573 A608 A609 C616 Y618 | L533-F594 WeakPolarHBondContact CD1-O 3.42Å; C547-F594 WeakPolarHBondContact SG-CB 3.39Å; C547-F594 PolarHBondContact SG-O 2.86Å; C547-F594 VanDerWaalsContact SG-O 3.4Å; C551-F594 HydrophobicContact CB-CD2 4.2Å; C551-F594 HydrophobicContact CB-CE2 4.3Å; L573-F594 HydrophobicContact CD2-CD1 3.68Å; L573-F594 HydrophobicContact CD2-CE1 3.27Å; L573-F594 HydrophobicContact CD2-CE2 4.37Å; L573-F594 HydrophobicContact CD2-CG 4.39Å; L573-F594 HydrophobicContact CD2-CZ 3.65Å; L573-F594 HydrophobicContact CG-CE1 4Å; L573-F594 HydrophobicContact CG-CE2 4.29Å; L573-F594 HydrophobicContact CG-CZ 3.83Å; F594-A608 HydrophobicContact CB-CB 4.49Å; F594-A608 HydrophobicContact CD1-CB 3.69Å; F594-A608 HydrophobicContact CD2-CB 4.26Å; F594-A608 HydrophobicContact CE1-CB 3.9Å; F594-A608 HydrophobicContact CE2-CB 4.46Å; F594-A608 HydrophobicContact CG-CB 3.89Å; F594-A608 HydrophobicContact CZ-CB 4.31Å; F594-A609 CarbonylContact C-O 3.57Å; F594-A609 WeakPolarHBondContact CA-O 3.16Å; F594-C616 HydrophobicContact CE1-CB 4.31Å; F594-C616 HydrophobicContact CZ-CB 4.31Å; F594-Y618 HydrophobicContact CZ-CE2 4.49Å; F594-Y618 WeakPolarHBondContact CZ-OH 3.22Å |
| 595 | S | 93.7 | Very high | 89.7 | Confident | 37 Ų | 37 | 32 Ų | 32 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -15.8 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | A609 G610 | S595-A609 PolarHBondContact N-O 2.97Å; S595-G610 VanDerWaalsContact OG-CA 3.23Å; S595-G610 WeakPolarHBondContact OG-CA 3.45Å |
| 596 | T | 96.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.6 | -176.3 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | D534 A609 V695 | D534-T596 WeakPolarHBondContact OD2-CA 3.41Å; T596-A609 HydrophobicContact CG2-CB 4Å; T596-A609 WeakPolarHBondContact CG2-O 3.28Å; T596-A609 PolarHBondContact N-O 3.27Å; T596-A609 PolarHBondContact O-N 2.81Å; T596-V695 HydrophobicContact CG2-CB 4.48Å; T596-V695 HydrophobicContact CG2-CG1 4.27Å; T596-V695 HydrophobicContact CG2-CG2 3.88Å; T596-V695 PolarHBondContact OG1-N 2.73Å |
| 597 | I | 97 | Very high | 91 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.3 | 175.8 | 52 | 166.6 | 0 | 0 | 0 | 111.2 | D534 K536 A545 C547 I553 I606 L607 A608 | D534-I597 HydrophobicContact CB-CG1 4.22Å; D534-I597 PolarHBondContact OD2-N 2.75Å; K536-I597 VanDerWaalsContact CE-O 3.32Å; K536-I597 WeakPolarHBondContact CE-O 3.4Å; K536-I597 HydrophobicContact CG-CD1 4.41Å; K536-I597 HydrophobicContact CG-CG1 4.04Å; K536-I597 VanDerWaalsContact CG-O 3.31Å; K536-I597 WeakPolarHBondContact CG-O 3.35Å; A545-I597 HydrophobicContact CB-CD1 3.8Å; A545-I597 WeakPolarHBondContact O-CD1 3.5Å; C547-I597 HydrophobicContact CB-CD1 3.99Å; C547-I597 HydrophobicContact CB-CG1 4.04Å; C547-I597 HydrophobicContact CB-CG2 3.79Å; I553-I597 HydrophobicContact CD1-CG2 4.31Å; I597-I606 HydrophobicContact CB-CD1 4.2Å; I597-I606 HydrophobicContact CB-CG1 4.38Å; I597-I606 HydrophobicContact CD1-CD1 4.28Å; I597-L607 CarbonylContact C-O 3.56Å; I597-L607 WeakPolarHBondContact CA-O 3.19Å; I597-A608 HydrophobicContact CG2-CB 3.94Å |
| 598 | C | 96.5 | Very high | 91.5 | Very high | 17 Ų | 17 | 21 Ų | 21 | 12% | 0.115 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 127.8 | 175 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | I606 L607 V695 F697 | C598-I606 WeakPolarHBondContact O-CA 3.46Å; C598-L607 PolarHBondContact N-O 3.03Å; C598-L607 PolarHBondContact O-N 3.33Å; C598-V695 HydrophobicContact CB-CG2 4.19Å; C598-V695 WeakPolarHBondContact CB-O 3.48Å; C598-F697 PolarHBondContact SG-N 3.09Å; C598-F697 VanDerWaalsContact SG-N 3.45Å |
| 599 | F | 95.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 20.9 Ų | 20.9 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 146.5 | 171.6 | -78.8 | -78.8 | 0 | 0 | 0 | 112 | K536 F537 P539 A545 F555 Y605 I606 V620 F697 | K536-F599 HydrophobicContact CB-CD2 4.04Å; K536-F599 HydrophobicContact CB-CE2 4.27Å; F537-F599 WeakPolarHBondContact O-CD2 3.48Å; P539-F599 HydrophobicContact CG-CB 4.35Å; A545-F599 HydrophobicContact CB-CE2 3.46Å; A545-F599 VanDerWaalsContact CB-CE2 3.46Å; A545-F599 HydrophobicContact CB-CZ 3.49Å; A545-F599 VanDerWaalsContact CB-CZ 3.49Å; F555-F599 HydrophobicContact CD1-CE1 4.41Å; F555-F599 HydrophobicContact CD1-CZ 4.01Å; F555-F599 AromaticContact CE1-CE1 3.83Å; F555-F599 HydrophobicContact CE1-CE1 3.83Å; F555-F599 AromaticContact CE1-CZ 3.71Å; F555-F599 HydrophobicContact CE1-CZ 3.71Å; F599-Y605 WeakPolarHBondContact CA-O 3.34Å; F599-I606 HydrophobicContact CD1-CB 4.4Å; F599-I606 HydrophobicContact CD1-CD1 4.4Å; F599-I606 HydrophobicContact CE1-CD1 4.22Å; F599-I606 HydrophobicContact CE2-CD1 4.33Å; F599-I606 HydrophobicContact CZ-CD1 4.2Å; F599-V620 HydrophobicContact CD1-CG2 4.26Å; F599-V620 HydrophobicContact CE1-CG2 3.89Å; F599-F697 VanDerWaalsContact C-CD2 3.49Å; F599-F697 VanDerWaalsContact O-CD2 3.24Å; F599-F697 WeakPolarHBondContact O-CD2 3.41Å |
| 600 | S | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -63.5 | 153.9 | 163.5 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | P539 D602 G603 E604 Y605 | P539-S600 WeakPolarHBondContact CG-O 3.33Å; S600-D602 WeakPolarHBondContact CB-OD1 3.37Å; S600-D602 PolarHBondContact O-N 2.88Å; S600-D602 VanDerWaalsContact O-N 3.14Å; S600-D602 PolarHBondContact OG-OD1 3.33Å; S600-G603 WeakPolarHBondContact O-CA 3.44Å; S600-G603 PolarHBondContact O-N 2.67Å; S600-G603 PolarHBondContact OG-N 2.92Å; S600-E604 PolarHBondContact OG-N 2.92Å; S600-Y605 PolarHBondContact N-O 3.45Å; S600-Y605 PolarHBondContact OG-N 2.74Å; S600-Y605 PolarHBondContact OG-O 3.01Å | ||
| 601 | P | 89.5 | Confident | 92.9 | Very high | 23 Ų | 23 | 22.2 Ų | 22.2 | 15% | 0.149 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | -177.8 | -25.9 | 36.3 | 0 | 0 | 0 | 115 | P539 F697 S698 P831 | P539-P601 WeakPolarHBondContact CB-O 3.35Å; P539-P601 WeakPolarHBondContact CG-O 3.47Å; P601-F697 HydrophobicContact CG-CB 4.3Å; P601-S698 WeakPolarHBondContact CG-O 3.08Å; P601-P831 HydrophobicContact CB-CG 4.16Å |
| 602 | D | 86.2 | Confident | 93.2 | Very high | 24 Ų | 24 | 17.9 Ų | 17.9 | 13% | 0.128 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10 | 173 | 58.1 | 2.5 | 0 | 0 | 0 | 113.5 | S600 E604 | S600-D602 WeakPolarHBondContact CB-OD1 3.37Å; S600-D602 PolarHBondContact O-N 2.88Å; S600-D602 VanDerWaalsContact O-N 3.14Å; S600-D602 PolarHBondContact OG-OD1 3.33Å; D602-E604 VanDerWaalsContact C-N 3.28Å; D602-E604 PolarHBondContact O-N 3.02Å; D602-E604 PolarHBondContact OD1-N 3.3Å |
| 603 | G | 89.6 | Confident | 93.4 | Very high | 17 Ų | 17 | 17.1 Ų | 17.1 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 77.1 | 1.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S600 | S600-G603 WeakPolarHBondContact O-CA 3.44Å; S600-G603 PolarHBondContact O-N 2.67Å; S600-G603 PolarHBondContact OG-N 2.92Å |
| 604 | E | 90.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 16.8 Ų | 16.8 | 20% | 0.201 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -77.6 | -26.3 | -178.4 | -67.7 | -177 | 173.4 | 0 | 0 | 112.6 | S600 D602 V620 K828 | S600-E604 PolarHBondContact OG-N 2.92Å; D602-E604 VanDerWaalsContact C-N 3.28Å; D602-E604 PolarHBondContact O-N 3.02Å; D602-E604 PolarHBondContact OD1-N 3.3Å; E604-V620 PolarHBondContact O-N 2.91Å; E604-K828 IonicContact OE1-NZ 3.54Å; E604-K828 PolarHBondContact OE1-NZ 2.8Å |
| 605 | Y | 94.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 16.8 Ų | 16.8 | 8% | 0.075 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158 | -175 | -55.6 | -89.4 | 0 | 0 | 0 | 112.1 | M1 L3 F599 S600 Y618 H619 V626 | M1-Y605 HydrophobicContact CB-CD2 4.41Å; M1-Y605 HydrophobicContact CB-CE2 3.92Å; M1-Y605 HydrophobicContact SD-CD2 4.18Å; L3-Y605 HydrophobicContact CD1-CE1 3.79Å; L3-Y605 HydrophobicContact CD2-CD1 3.83Å; L3-Y605 HydrophobicContact CD2-CD2 4.28Å; L3-Y605 HydrophobicContact CD2-CE1 3.55Å; L3-Y605 HydrophobicContact CD2-CE2 4.08Å; L3-Y605 HydrophobicContact CD2-CG 4.19Å; L3-Y605 HydrophobicContact CG-CE1 4.25Å; F599-Y605 WeakPolarHBondContact CA-O 3.34Å; S600-Y605 PolarHBondContact N-O 3.45Å; S600-Y605 PolarHBondContact OG-N 2.74Å; S600-Y605 PolarHBondContact OG-O 3.01Å; Y605-Y618 CarbonylContact C-O 3.56Å; Y605-Y618 VanDerWaalsContact CA-O 3.23Å; Y605-Y618 WeakPolarHBondContact CA-O 3.49Å; Y605-H619 HydrophobicContact CD1-CB 4.35Å; Y605-H619 HydrophobicContact CE1-CB 4.25Å; Y605-H619 AromaticContact CE1-CD2 3.6Å; Y605-H619 AromaticContact CZ-CD2 3.85Å; Y605-V626 HydrophobicContact CD1-CG2 4.14Å; Y605-V626 HydrophobicContact CE1-CG2 4.02Å |
| 606 | I | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 132 | 174.4 | -167.5 | 164.1 | 0 | 0 | 0 | 110.4 | A545 I553 F555 I567 I597 C598 F599 L617 Y618 V620 | A545-I606 HydrophobicContact CB-CD1 3.64Å; I553-I606 HydrophobicContact CG2-CD1 4.25Å; F555-I606 HydrophobicContact CE1-CD1 4.09Å; F555-I606 HydrophobicContact CZ-CD1 4.17Å; F555-I606 HydrophobicContact CZ-CG2 4.22Å; I567-I606 HydrophobicContact CD1-CG2 4.43Å; I597-I606 HydrophobicContact CB-CD1 4.2Å; I597-I606 HydrophobicContact CB-CG1 4.38Å; I597-I606 HydrophobicContact CD1-CD1 4.28Å; C598-I606 WeakPolarHBondContact O-CA 3.46Å; F599-I606 HydrophobicContact CD1-CB 4.4Å; F599-I606 HydrophobicContact CD1-CD1 4.4Å; F599-I606 HydrophobicContact CE1-CD1 4.22Å; F599-I606 HydrophobicContact CE2-CD1 4.33Å; F599-I606 HydrophobicContact CZ-CD1 4.2Å; I606-L617 WeakPolarHBondContact O-CA 3.49Å; I606-Y618 HydrophobicContact CG2-CD2 4.3Å; I606-Y618 PolarHBondContact N-O 2.73Å; I606-Y618 PolarHBondContact O-N 2.9Å; I606-V620 HydrophobicContact CB-CG2 4.1Å; I606-V620 HydrophobicContact CG2-CG2 4.08Å |
| 607 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 138.1 | 168.5 | -76.2 | 168.9 | 0 | 0 | 0 | 109.2 | I597 C598 I615 C616 L617 V695 F697 W704 | I597-L607 CarbonylContact C-O 3.56Å; I597-L607 WeakPolarHBondContact CA-O 3.19Å; C598-L607 PolarHBondContact N-O 3.03Å; C598-L607 PolarHBondContact O-N 3.33Å; L607-I615 HydrophobicContact CD2-CG2 3.79Å; L607-C616 CarbonylContact C-O 3.5Å; L607-C616 WeakPolarHBondContact CA-O 3.41Å; L607-L617 HydrophobicContact CD2-CB 4.04Å; L607-L617 HydrophobicContact CD2-CD1 3.74Å; L607-L617 HydrophobicContact CD2-CG 4.48Å; L607-L617 HydrophobicContact CG-CD1 3.98Å; L607-V695 HydrophobicContact CB-CG2 4.2Å; L607-F697 HydrophobicContact CB-CE2 4.04Å; L607-F697 HydrophobicContact CD1-CD1 4.36Å; L607-F697 HydrophobicContact CD1-CD2 3.72Å; L607-F697 HydrophobicContact CD1-CE1 4Å; L607-F697 HydrophobicContact CD1-CE2 3.33Å; L607-F697 HydrophobicContact CD1-CG 4.24Å; L607-F697 HydrophobicContact CD1-CZ 3.48Å; L607-F697 VanDerWaalsContact CD1-CZ 3.48Å; L607-F697 HydrophobicContact CD2-CZ 4.37Å; L607-F697 HydrophobicContact CG-CD2 4.19Å; L607-F697 HydrophobicContact CG-CE1 4.46Å; L607-F697 HydrophobicContact CG-CE2 3.36Å; L607-F697 HydrophobicContact CG-CZ 3.52Å; L607-W704 HydrophobicContact CD1-CB 3.85Å; L607-W704 HydrophobicContact CD1-CD2 3.86Å; L607-W704 HydrophobicContact CD1-CE3 4.13Å; L607-W704 HydrophobicContact CD1-CG 3.76Å |
| 608 | A | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I553 F594 I597 C616 Y618 | I553-A608 HydrophobicContact CD1-CB 3.75Å; F594-A608 HydrophobicContact CB-CB 4.49Å; F594-A608 HydrophobicContact CD1-CB 3.69Å; F594-A608 HydrophobicContact CD2-CB 4.26Å; F594-A608 HydrophobicContact CE1-CB 3.9Å; F594-A608 HydrophobicContact CE2-CB 4.46Å; F594-A608 HydrophobicContact CG-CB 3.89Å; F594-A608 HydrophobicContact CZ-CB 4.31Å; I597-A608 HydrophobicContact CG2-CB 3.94Å; A608-C616 PolarHBondContact N-O 3.22Å; A608-C616 PolarHBondContact O-N 2.97Å; A608-Y618 HydrophobicContact CB-CD2 4.44Å; A608-Y618 HydrophobicContact CB-CE2 3.96Å |
| 609 | A | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F594 S595 T596 I615 V692 V695 | F594-A609 CarbonylContact C-O 3.57Å; F594-A609 WeakPolarHBondContact CA-O 3.16Å; S595-A609 PolarHBondContact N-O 2.97Å; T596-A609 HydrophobicContact CG2-CB 4Å; T596-A609 WeakPolarHBondContact CG2-O 3.28Å; T596-A609 PolarHBondContact N-O 3.27Å; T596-A609 PolarHBondContact O-N 2.81Å; A609-I615 HydrophobicContact CB-CB 4.46Å; A609-I615 HydrophobicContact CB-CG1 3.86Å; A609-I615 HydrophobicContact CB-CG2 4.26Å; A609-V692 HydrophobicContact CB-CB 3.86Å; A609-V692 HydrophobicContact CB-CG1 3.6Å; A609-V695 HydrophobicContact CB-CG1 3.49Å; A609-V695 VanDerWaalsContact CB-CG1 3.49Å; A609-V695 HydrophobicContact CB-CG2 4.46Å |
| 610 | G | 93.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | -131.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S595 S612 V692 | S595-G610 VanDerWaalsContact OG-CA 3.23Å; S595-G610 WeakPolarHBondContact OG-CA 3.45Å; G610-S612 PolarHBondContact O-N 3.32Å; G610-V692 PolarHBondContact O-N 2.86Å |
| 611 | R | 90.4 | Very high | 93.3 | Very high | 146 Ų | 146 | 21.4 Ų | 21.4 | 55% | 0.551 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -79 | 60.8 | -179.7 | -65.6 | -175 | 179.3 | 171.4 | 0.6 | 112 | S593 | S593-R611 PolarHBondContact O-N 3Š|
| 612 | S | 90.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -154.3 | 148.5 | -179.8 | 172.3 | 0 | 0 | 0 | 0 | 110 | G610 V614 | G610-S612 PolarHBondContact O-N 3.32Å; S612-V614 PolarHBondContact O-N 2.85Å; S612-V614 PolarHBondContact OG-N 2.94Å; S612-V614 VanDerWaalsContact OG-N 3.13Å |
| 613 | P | 90.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -70.9 | -3.4 | 171.1 | 31.3 | -35.9 | 0 | 0 | 0 | 113.3 | D574 R630 V631 I690 | D574-P613 WeakPolarHBondContact O-CD 3.34Å; P613-R630 WeakPolarHBondContact O-CA 3.35Å; P613-V631 WeakPolarHBondContact O-CB 3.41Å; P613-V631 WeakPolarHBondContact O-CG2 3.46Å; P613-V631 PolarHBondContact O-N 3.18Å; P613-I690 HydrophobicContact CB-CG1 4.18Å |
| 614 | V | 93.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.3 | -177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | D574 S612 K628 F629 | D574-V614 HydrophobicContact CB-CG2 3.76Å; S612-V614 PolarHBondContact O-N 2.85Å; S612-V614 PolarHBondContact OG-N 2.94Å; S612-V614 VanDerWaalsContact OG-N 3.13Å; V614-K628 HydrophobicContact CG1-CB 3.68Å; V614-K628 HydrophobicContact CG1-CD 4.09Å; V614-K628 HydrophobicContact CG1-CG 3.9Å; V614-F629 WeakPolarHBondContact CA-O 3.45Å |
| 615 | I | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129 | 168.9 | -59.7 | 172.6 | 0 | 0 | 0 | 108.1 | L607 A609 F629 V631 V692 V695 W704 A706 | L607-I615 HydrophobicContact CD2-CG2 3.79Å; A609-I615 HydrophobicContact CB-CB 4.46Å; A609-I615 HydrophobicContact CB-CG1 3.86Å; A609-I615 HydrophobicContact CB-CG2 4.26Å; I615-F629 HydrophobicContact CB-CB 4.36Å; I615-F629 PolarHBondContact N-O 3.44Å; I615-F629 PolarHBondContact O-N 3.2Å; I615-V631 HydrophobicContact CD1-CG2 3.55Å; I615-V631 HydrophobicContact CG1-CG2 3.61Å; I615-V692 HydrophobicContact CD1-CG1 4.27Å; I615-V692 HydrophobicContact CD1-CG2 4.44Å; I615-V692 HydrophobicContact CG1-CG2 4.34Å; I615-V695 HydrophobicContact CD1-CG1 4.32Å; I615-W704 HydrophobicContact CD1-CH2 4.1Å; I615-W704 HydrophobicContact CD1-CZ3 3.74Å; I615-A706 HydrophobicContact CD1-CB 3.51Å |
| 616 | C | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.5 | -178.4 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | F594 L607 A608 Y618 I625 | F594-C616 HydrophobicContact CE1-CB 4.31Å; F594-C616 HydrophobicContact CZ-CB 4.31Å; L607-C616 CarbonylContact C-O 3.5Å; L607-C616 WeakPolarHBondContact CA-O 3.41Å; A608-C616 PolarHBondContact N-O 3.22Å; A608-C616 PolarHBondContact O-N 2.97Å; C616-Y618 HydrophobicContact CB-CD2 4.23Å; C616-Y618 HydrophobicContact CB-CE2 3.43Å; C616-Y618 VanDerWaalsContact CB-CE2 3.43Å; C616-I625 HydrophobicContact CB-CD1 3.97Å |
| 617 | L | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.2 | 170.9 | -179.7 | 69 | 0 | 0 | 0 | 108.8 | L3 I606 L607 V626 K627 F629 F697 | L3-L617 HydrophobicContact CD2-CD2 3.79Å; I606-L617 WeakPolarHBondContact O-CA 3.49Å; L607-L617 HydrophobicContact CD2-CB 4.04Å; L607-L617 HydrophobicContact CD2-CD1 3.74Å; L607-L617 HydrophobicContact CD2-CG 4.48Å; L607-L617 HydrophobicContact CG-CD1 3.98Å; L617-V626 HydrophobicContact CD2-CB 4.5Å; L617-V626 HydrophobicContact CD2-CG1 4.36Å; L617-V626 HydrophobicContact CG-CB 4.43Å; L617-V626 WeakPolarHBondContact O-CB 3.35Å; L617-V626 PolarHBondContact O-N 2.89Å; L617-K627 PolarHBondContact N-O 2.93Å; L617-K627 PolarHBondContact O-N 2.95Å; L617-F629 HydrophobicContact CB-CE2 3.96Å; L617-F629 HydrophobicContact CD2-CE2 4.25Å; L617-F697 HydrophobicContact CD1-CE2 4.48Å; L617-F697 HydrophobicContact CD1-CZ 3.79Å |
| 618 | Y | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.9 | 178.5 | -56.7 | -87.6 | 0 | 0 | 0 | 111.6 | I553 I567 G569 D572 F594 Y605 I606 A608 C616 M624 I625 | I553-Y618 HydrophobicContact CD1-CD2 4.11Å; I553-Y618 HydrophobicContact CD1-CE2 3.99Å; I567-Y618 HydrophobicContact CD1-CD1 4.45Å; I567-Y618 HydrophobicContact CD1-CG 4.1Å; I567-Y618 HydrophobicContact CG2-CD1 3.55Å; I567-Y618 HydrophobicContact CG2-CD2 4.43Å; I567-Y618 HydrophobicContact CG2-CE1 3.58Å; I567-Y618 HydrophobicContact CG2-CE2 4.44Å; I567-Y618 HydrophobicContact CG2-CG 4.01Å; G569-Y618 WeakPolarHBondContact CA-OH 3.42Å; D572-Y618 WeakPolarHBondContact CB-OH 3.48Å; D572-Y618 WeakPolarHBondContact OD2-CE1 3.23Å; D572-Y618 PolarHBondContact OD2-OH 3.12Å; F594-Y618 HydrophobicContact CZ-CE2 4.49Å; F594-Y618 WeakPolarHBondContact CZ-OH 3.22Å; Y605-Y618 CarbonylContact C-O 3.56Å; Y605-Y618 VanDerWaalsContact CA-O 3.23Å; Y605-Y618 WeakPolarHBondContact CA-O 3.49Å; I606-Y618 HydrophobicContact CG2-CD2 4.3Å; I606-Y618 PolarHBondContact N-O 2.73Å; I606-Y618 PolarHBondContact O-N 2.9Å; A608-Y618 HydrophobicContact CB-CD2 4.44Å; A608-Y618 HydrophobicContact CB-CE2 3.96Å; C616-Y618 HydrophobicContact CB-CD2 4.23Å; C616-Y618 HydrophobicContact CB-CE2 3.43Å; C616-Y618 VanDerWaalsContact CB-CE2 3.43Å; Y618-M624 CarbonylContact C-O 3.54Å; Y618-M624 VanDerWaalsContact CA-O 3.3Å; Y618-M624 WeakPolarHBondContact CA-O 3.17Å; Y618-I625 HydrophobicContact CD1-CB 3.78Å; Y618-I625 HydrophobicContact CD1-CG1 4.16Å; Y618-I625 HydrophobicContact CE1-CB 3.74Å; Y618-I625 HydrophobicContact CE1-CD1 4.12Å; Y618-I625 HydrophobicContact CE1-CG1 4Å |
| 619 | H | 95.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120 | 166.5 | -171.2 | -64.9 | 0 | 0 | 0 | 108.5 | Y605 Q621 Q622 E623 M624 V626 | Y605-H619 HydrophobicContact CD1-CB 4.35Å; Y605-H619 HydrophobicContact CE1-CB 4.25Å; Y605-H619 AromaticContact CE1-CD2 3.6Å; Y605-H619 AromaticContact CZ-CD2 3.85Å; H619-Q621 PolarHBondContact ND1-N 3.31Å; H619-Q622 HydrophobicContact CB-CB 4.32Å; H619-Q622 PolarHBondContact ND1-N 3.13Å; H619-Q622 PolarHBondContact O-N 2.84Å; H619-E623 PolarHBondContact O-N 3.18Å; H619-M624 HydrophobicContact CB-CG 4.21Å; H619-M624 PolarHBondContact N-O 2.97Å; H619-V626 HydrophobicContact CB-CG2 3.72Å |
| 620 | V | 93.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -53.8 | -170.1 | 177 | 0 | 0 | 0 | 0 | 110.9 | F555 L565 F599 E604 I606 Q622 E623 | F555-V620 HydrophobicContact CD1-CG1 3.97Å; F555-V620 HydrophobicContact CE1-CB 4.47Å; F555-V620 HydrophobicContact CE1-CG1 3.62Å; F555-V620 HydrophobicContact CE1-CG2 4.12Å; F555-V620 HydrophobicContact CZ-CG1 3.99Å; F555-V620 HydrophobicContact CZ-CG2 4.28Å; L565-V620 HydrophobicContact CD1-CG1 3.85Å; F599-V620 HydrophobicContact CD1-CG2 4.26Å; F599-V620 HydrophobicContact CE1-CG2 3.89Å; E604-V620 PolarHBondContact O-N 2.91Å; I606-V620 HydrophobicContact CB-CG2 4.1Å; I606-V620 HydrophobicContact CG2-CG2 4.08Å; V620-Q622 VanDerWaalsContact C-N 3.27Å; V620-Q622 PolarHBondContact O-N 3.01Å; V620-E623 PolarHBondContact O-N 3.19Å |
| 621 | Q | 92.7 | Very high | 93.5 | Very high | 148 Ų | 148 | 46 Ų | 46 | 69% | 0.692 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.1 | -174.5 | -57.8 | 178.8 | -21.1 | 0 | 0 | 114.9 | H619 | H619-Q621 PolarHBondContact ND1-N 3.31Š|
| 622 | Q | 93.6 | Very high | 93.5 | Very high | 125 Ų | 125 | 39.1 Ų | 39.1 | 58% | 0.584 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -2.1 | -177.1 | -69.4 | -178.8 | -11.3 | 0 | 0 | 111.7 | H619 V620 M624 | H619-Q622 HydrophobicContact CB-CB 4.32Å; H619-Q622 PolarHBondContact ND1-N 3.13Å; H619-Q622 PolarHBondContact O-N 2.84Å; V620-Q622 VanDerWaalsContact C-N 3.27Å; V620-Q622 PolarHBondContact O-N 3.01Å; Q622-M624 HydrophobicContact CB-CG 3.8Å; Q622-M624 HydrophobicContact CB-SD 4.12Å; Q622-M624 PolarHBondContact O-N 3.33Å; Q622-M624 PolarHBondContact OE1-SD 3.45Å; Q622-M624 VanDerWaalsContact OE1-SD 3.32Å |
| 623 | E | 94.1 | Very high | 93.5 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 29.8 | 179.4 | -56.7 | -179.1 | 155.3 | 0 | 0 | 114.1 | L565 T566 I567 H619 V620 | L565-E623 WeakPolarHBondContact CA-OE1 3.35Å; L565-E623 HydrophobicContact CB-CG 4.35Å; L565-E623 WeakPolarHBondContact CB-OE1 3.49Å; L565-E623 HydrophobicContact CD2-CG 4.29Å; L565-E623 VanDerWaalsContact CD2-OE1 3.32Å; L565-E623 WeakPolarHBondContact CD2-OE1 3.47Å; T566-E623 PolarHBondContact N-OE1 3.35Å; I567-E623 HydrophobicContact CG1-CB 4.16Å; I567-E623 HydrophobicContact CG1-CG 4.47Å; H619-E623 PolarHBondContact O-N 3.18Å; V620-E623 PolarHBondContact O-N 3.19Å |
| 624 | M | 92.9 | Very high | 93.5 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.7 | -172.4 | 68 | 175.8 | -77.3 | 0 | 0 | 112.3 | Y618 H619 Q622 | Y618-M624 CarbonylContact C-O 3.54Å; Y618-M624 VanDerWaalsContact CA-O 3.3Å; Y618-M624 WeakPolarHBondContact CA-O 3.17Å; H619-M624 HydrophobicContact CB-CG 4.21Å; H619-M624 PolarHBondContact N-O 2.97Å; Q622-M624 HydrophobicContact CB-CG 3.8Å; Q622-M624 HydrophobicContact CB-SD 4.12Å; Q622-M624 PolarHBondContact O-N 3.33Å; Q622-M624 PolarHBondContact OE1-SD 3.45Å; Q622-M624 VanDerWaalsContact OE1-SD 3.32Å |
| 625 | I | 94.2 | Very high | 93.3 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 131.4 | 170.3 | -165.3 | 164.8 | 0 | 0 | 0 | 110.1 | D572 C616 Y618 K628 | D572-I625 HydrophobicContact CB-CD1 4.06Å; C616-I625 HydrophobicContact CB-CD1 3.97Å; Y618-I625 HydrophobicContact CD1-CB 3.78Å; Y618-I625 HydrophobicContact CD1-CG1 4.16Å; Y618-I625 HydrophobicContact CE1-CB 3.74Å; Y618-I625 HydrophobicContact CE1-CD1 4.12Å; Y618-I625 HydrophobicContact CE1-CG1 4Å; I625-K628 HydrophobicContact CD1-CD 4.16Å; I625-K628 HydrophobicContact CD1-CG 3.47Å; I625-K628 VanDerWaalsContact CD1-CG 3.47Å; I625-K628 HydrophobicContact CG1-CG 4.48Å |
| 626 | V | 93.4 | Very high | 93 | Very high | 53 Ų | 53 | 47 Ų | 47 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -46.6 | 179.9 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | L3 Y605 L617 H619 | L3-V626 HydrophobicContact CB-CG1 4.46Å; L3-V626 HydrophobicContact CD1-CG1 3.6Å; L3-V626 HydrophobicContact CD2-CG1 4.36Å; L3-V626 HydrophobicContact CG-CG1 4.35Å; Y605-V626 HydrophobicContact CD1-CG2 4.14Å; Y605-V626 HydrophobicContact CE1-CG2 4.02Å; L617-V626 HydrophobicContact CD2-CB 4.5Å; L617-V626 HydrophobicContact CD2-CG1 4.36Å; L617-V626 HydrophobicContact CG-CB 4.43Å; L617-V626 WeakPolarHBondContact O-CB 3.35Å; L617-V626 PolarHBondContact O-N 2.89Å; H619-V626 HydrophobicContact CB-CG2 3.72Å |
| 627 | K | 93.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 141.2 | -176.5 | -164 | 164.2 | 179.4 | -174 | 0 | 111.2 | D4 F5 L617 F629 | D4-K627 IonicContact OD1-NZ 4Å; D4-K627 PolarHBondContact OD1-NZ 3.2Å; F5-K627 PolarHBondContact O-NZ 3.05Å; L617-K627 PolarHBondContact N-O 2.93Å; L617-K627 PolarHBondContact O-N 2.95Å; K627-F629 HydrophobicContact CB-CE2 4.1Å; K627-F629 HydrophobicContact CB-CZ 4.12Å; K627-F629 HydrophobicContact CD-CE1 3.65Å; K627-F629 HydrophobicContact CD-CE2 4.35Å; K627-F629 HydrophobicContact CD-CZ 3.56Å; K627-F629 HydrophobicContact CG-CE1 4.07Å; K627-F629 HydrophobicContact CG-CE2 4.17Å; K627-F629 HydrophobicContact CG-CZ 3.86Å |
| 628 | K | 94.1 | Very high | 92.1 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 34% | 0.335 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.7 | 167.4 | -72.1 | -176.1 | 177.7 | -169.3 | 0 | 109.1 | D572 D574 V614 I625 | D572-K628 WeakPolarHBondContact O-CE 3.32Å; D572-K628 PolarHBondContact O-NZ 2.6Å; D572-K628 IonicContact OD1-NZ 2.78Å; D574-K628 IonicContact OD1-NZ 3.82Å; D574-K628 PolarHBondContact OD1-NZ 3.21Å; D574-K628 IonicContact OD2-NZ 3.96Å; V614-K628 HydrophobicContact CG1-CB 3.68Å; V614-K628 HydrophobicContact CG1-CD 4.09Å; V614-K628 HydrophobicContact CG1-CG 3.9Å; I625-K628 HydrophobicContact CD1-CD 4.16Å; I625-K628 HydrophobicContact CD1-CG 3.47Å; I625-K628 VanDerWaalsContact CD1-CG 3.47Å; I625-K628 HydrophobicContact CG1-CG 4.48Å |
| 629 | F | 93.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.8 | 175.1 | -59.3 | -84.8 | 0 | 0 | 0 | 109.2 | F5 V614 I615 L617 K627 W704 Y715 | F5-F629 HydrophobicContact CB-CE1 3.84Å; F5-F629 HydrophobicContact CB-CZ 3.93Å; F5-F629 HydrophobicContact CD2-CZ 4.18Å; V614-F629 WeakPolarHBondContact CA-O 3.45Å; I615-F629 HydrophobicContact CB-CB 4.36Å; I615-F629 PolarHBondContact N-O 3.44Å; I615-F629 PolarHBondContact O-N 3.2Å; L617-F629 HydrophobicContact CB-CE2 3.96Å; L617-F629 HydrophobicContact CD2-CE2 4.25Å; K627-F629 HydrophobicContact CB-CE2 4.1Å; K627-F629 HydrophobicContact CB-CZ 4.12Å; K627-F629 HydrophobicContact CD-CE1 3.65Å; K627-F629 HydrophobicContact CD-CE2 4.35Å; K627-F629 HydrophobicContact CD-CZ 3.56Å; K627-F629 HydrophobicContact CG-CE1 4.07Å; K627-F629 HydrophobicContact CG-CE2 4.17Å; K627-F629 HydrophobicContact CG-CZ 3.86Å; F629-W704 HydrophobicContact CB-CH2 4.05Å; F629-W704 HydrophobicContact CB-CZ2 4.28Å; F629-W704 HydrophobicContact CD1-CH2 4.42Å; F629-W704 AromaticContact CD1-CZ2 3.86Å; F629-W704 HydrophobicContact CD1-CZ2 3.86Å; F629-W704 HydrophobicContact CD2-CH2 4.07Å; F629-W704 AromaticContact CD2-CZ2 3.64Å; F629-W704 HydrophobicContact CD2-CZ2 3.64Å; F629-W704 HydrophobicContact CE1-CZ2 4.02Å; F629-W704 AromaticContact CE2-CZ2 3.8Å; F629-W704 HydrophobicContact CE2-CZ2 3.8Å; F629-W704 AromaticContact CG-CH2 3.94Å; F629-W704 HydrophobicContact CG-CH2 3.94Å; F629-W704 AromaticContact CG-CZ2 3.66Å; F629-W704 HydrophobicContact CG-CZ2 3.66Å; F629-W704 AromaticContact CZ-CZ2 3.99Å; F629-W704 HydrophobicContact CZ-CZ2 3.99Å; F629-Y715 HydrophobicContact CD1-CD1 4.24Å; F629-Y715 HydrophobicContact CD1-CE1 4.21Å |
| 630 | R | 92.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123 | 170.6 | -166.1 | 170.5 | -179.4 | 121.1 | -2.2 | 108.9 | P613 T632 V640 Y715 | P613-R630 WeakPolarHBondContact O-CA 3.35Å; R630-T632 PolarHBondContact NE-O 2.78Å; R630-V640 PolarHBondContact NH2-O 3.05Å; R630-Y715 PolarHBondContact O-OH 2.86Å |
| 631 | V | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -73.6 | -43.2 | -176 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | P613 I615 I690 V692 L713 | P613-V631 WeakPolarHBondContact O-CB 3.41Å; P613-V631 WeakPolarHBondContact O-CG2 3.46Å; P613-V631 PolarHBondContact O-N 3.18Å; I615-V631 HydrophobicContact CD1-CG2 3.55Å; I615-V631 HydrophobicContact CG1-CG2 3.61Å; V631-I690 HydrophobicContact CG1-CD1 4.49Å; V631-V692 HydrophobicContact CG1-CG2 4.44Å; V631-V692 HydrophobicContact CG2-CG2 3.94Å; V631-L713 HydrophobicContact CB-CD1 4.18Å; V631-L713 HydrophobicContact CG1-CD1 3.36Å | ||
| 632 | T | 90.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -153.8 | 153.5 | -178.3 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | R630 N634 I637 V640 I690 E710 | R630-T632 PolarHBondContact NE-O 2.78Å; T632-N634 WeakPolarHBondContact OG1-CB 3.33Å; T632-N634 PolarHBondContact OG1-N 3.24Å; T632-I637 HydrophobicContact CG2-CD1 4.21Å; T632-V640 HydrophobicContact CG2-CG2 4.11Å; T632-I690 HydrophobicContact CG2-CD1 3.85Å; T632-E710 WeakPolarHBondContact CB-OE1 3.46Å; T632-E710 PolarHBondContact OG1-OE1 3.26Å | ||
| 633 | T | 89.8 | Confident | 88.8 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | trans | -109.1 | 7.6 | 168.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | E53 R635 | E53-T633 WeakPolarHBondContact CB-OG1 3.46Å; E53-T633 PolarHBondContact OE2-N 3.4Å; E53-T633 PolarHBondContact OE2-OG1 3.36Å; T633-R635 PolarHBondContact O-N 3.25Å | ||
| 634 | N | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -71.9 | 112.7 | -175.2 | -168 | -6.7 | 0 | 0 | 0 | 112.7 | N35 T55 G56 N57 T632 S636 I637 V640 E710 | N35-N634 HydrophobicContact CB-CB 3.99Å; T55-N634 CarbonylContact O-C 3.56Å; T55-N634 WeakPolarHBondContact O-CA 3.29Å; G56-N634 WeakPolarHBondContact CA-OD1 3.3Å; N57-N634 PolarHBondContact OD1-ND2 3.19Å; T632-N634 WeakPolarHBondContact OG1-CB 3.33Å; T632-N634 PolarHBondContact OG1-N 3.24Å; N634-S636 VanDerWaalsContact C-N 3.25Å; N634-S636 PolarHBondContact O-N 3.41Å; N634-S636 WeakPolarHBondContact OD1-CB 3.31Å; N634-S636 PolarHBondContact OD1-N 2.64Å; N634-S636 PolarHBondContact OD1-OG 3.01Å; N634-I637 HydrophobicContact CB-CD1 4.25Å; N634-I637 HydrophobicContact CB-CG1 4.44Å; N634-I637 PolarHBondContact O-N 3.36Å; N634-V640 WeakPolarHBondContact O-CG2 3.24Å; N634-E710 WeakPolarHBondContact CB-OE1 3.46Å; N634-E710 PolarHBondContact ND2-OE1 3.33Å | ||
| 635 | R | 88.5 | Confident | 87.7 | Confident | 105 Ų | 105 | 43 Ų | 43 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.9 | 178.5 | -63.5 | -176.7 | 164.8 | 163.8 | -3.4 | 114.4 | T55 Y76 T633 I637 D641 K687 | T55-R635 PolarHBondContact O-N 3.4Å; Y76-R635 HydrophobicContact CE2-CB 3.99Å; Y76-R635 PolarHBondContact OH-O 3.02Å; T633-R635 PolarHBondContact O-N 3.25Å; R635-I637 PolarHBondContact O-N 2.83Å; R635-D641 VanDerWaalsContact CD-OD2 3.32Å; R635-D641 WeakPolarHBondContact CD-OD2 3.31Å; R635-D641 WeakPolarHBondContact CG-OD2 3.41Å; R635-D641 IonicContact CZ-OD1 3.95Å; R635-D641 IonicContact CZ-OD2 3.72Å; R635-D641 IonicContact NE-OD1 3.71Å; R635-D641 PolarHBondContact NE-OD1 3.41Å; R635-D641 IonicContact NE-OD2 3.81Å; R635-D641 PolarHBondContact NE-OD2 2.84Å; R635-D641 VanDerWaalsContact NE-OD2 3.11Å; R635-D641 IonicContact NH2-OD1 2.77Å; R635-K687 PolarHBondContact O-NZ 3.27Å |
| 636 | S | 88.1 | Confident | 87.3 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.3 | 169.1 | -42 | 0 | 0 | 0 | 0 | 112.1 | N57 E75 N634 K687 | N57-S636 PolarHBondContact N-OG 3.46Å; N57-S636 VanDerWaalsContact ND2-CB 3.27Å; N57-S636 WeakPolarHBondContact ND2-CB 2.99Å; N57-S636 PolarHBondContact ND2-OG 3.04Å; N57-S636 VanDerWaalsContact ND2-OG 3.16Å; E75-S636 WeakPolarHBondContact OE1-CB 3.39Å; E75-S636 PolarHBondContact OE1-OG 3.34Å; E75-S636 PolarHBondContact OE2-OG 2.95Å; N634-S636 VanDerWaalsContact C-N 3.25Å; N634-S636 PolarHBondContact O-N 3.41Å; N634-S636 WeakPolarHBondContact OD1-CB 3.31Å; N634-S636 PolarHBondContact OD1-N 2.64Å; N634-S636 PolarHBondContact OD1-OG 3.01Å; S636-K687 WeakPolarHBondContact O-CG 3.44Å |
| 637 | I | 87.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -101.5 | 134.7 | 174.8 | -58.4 | 176.1 | 0 | 0 | 0 | 107.9 | T632 N634 R635 V640 P688 I690 N709 E710 | T632-I637 HydrophobicContact CG2-CD1 4.21Å; N634-I637 HydrophobicContact CB-CD1 4.25Å; N634-I637 HydrophobicContact CB-CG1 4.44Å; N634-I637 PolarHBondContact O-N 3.36Å; R635-I637 PolarHBondContact O-N 2.83Å; I637-V640 HydrophobicContact CB-CG2 3.98Å; I637-V640 HydrophobicContact CG2-CG2 4.08Å; I637-P688 WeakPolarHBondContact CG2-O 3.28Å; I637-I690 HydrophobicContact CG2-CB 3.78Å; I637-I690 HydrophobicContact CG2-CD1 4.12Å; I637-N709 HydrophobicContact CD1-CB 4.44Å; I637-E710 HydrophobicContact CD1-CG 3.69Å |
| 638 | D | 86.9 | Confident | 86.7 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 155.8 | 179.5 | -163.5 | 12.3 | 0 | 0 | 0 | 110.9 | G578 E579 V640 K687 P688 E689 I690 | G578-D638 WeakPolarHBondContact CA-OD1 3.49Å; G578-D638 WeakPolarHBondContact CA-OD2 3.42Å; E579-D638 PolarHBondContact N-OD1 2.94Å; E579-D638 PolarHBondContact N-OD2 3.5Å; D638-V640 VanDerWaalsContact C-N 3.34Å; D638-V640 PolarHBondContact O-N 3.07Å; D638-K687 HydrophobicContact CB-CB 3.93Å; D638-P688 PolarHBondContact N-O 2.64Å; D638-E689 HydrophobicContact CB-CG 4.47Å; D638-I690 PolarHBondContact O-N 3.21Å |
| 639 | C | 84.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 29 | -178.4 | -60 | 0 | 0 | 0 | 0 | 115.4 | A576 G578 K592 I690 | A576-C639 HydrophobicContact CB-CB 4.28Å; A576-C639 WeakPolarHBondContact CB-O 3.38Å; G578-C639 WeakPolarHBondContact CA-SG 3.39Å; K592-C639 PolarHBondContact NZ-SG 2.88Å; C639-I690 HydrophobicContact CB-CG2 3.78Å |
| 640 | V | 85.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | trans | -96.5 | -41.1 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | R630 T632 N634 I637 D638 I690 | R630-V640 PolarHBondContact NH2-O 3.05Å; T632-V640 HydrophobicContact CG2-CG2 4.11Å; N634-V640 WeakPolarHBondContact O-CG2 3.24Å; I637-V640 HydrophobicContact CB-CG2 3.98Å; I637-V640 HydrophobicContact CG2-CG2 4.08Å; D638-V640 VanDerWaalsContact C-N 3.34Å; D638-V640 PolarHBondContact O-N 3.07Å; V640-I690 HydrophobicContact CG2-CB 4.4Å | ||
| 641 | D | 79.9 | Confident | 86.1 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -84.1 | 127.2 | 176.2 | -72.7 | -40.2 | 0 | 0 | 0 | 110.2 | A576 R635 H643 | A576-D641 WeakPolarHBondContact CB-O 3.3Å; R635-D641 VanDerWaalsContact CD-OD2 3.32Å; R635-D641 WeakPolarHBondContact CD-OD2 3.31Å; R635-D641 WeakPolarHBondContact CG-OD2 3.41Å; R635-D641 IonicContact CZ-OD1 3.95Å; R635-D641 IonicContact CZ-OD2 3.72Å; R635-D641 IonicContact NE-OD1 3.71Å; R635-D641 PolarHBondContact NE-OD1 3.41Å; R635-D641 IonicContact NE-OD2 3.81Å; R635-D641 PolarHBondContact NE-OD2 2.84Å; R635-D641 VanDerWaalsContact NE-OD2 3.11Å; R635-D641 IonicContact NH2-OD1 2.77Å; D641-H643 PolarHBondContact O-N 2.88Å; D641-H643 VanDerWaalsContact O-N 3.1Å |
| 642 | D | 73.3 | Confident | 85.8 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -56 | -34.1 | -175.8 | -56.1 | -19.6 | 0 | 0 | 0 | 113 | E585 | E585-D642 VanDerWaalsContact CD-O 3.26Š|
| 643 | H | 79.1 | Confident | 85.7 | Confident | 125 Ų | 125 | 74.1 Ų | 74.1 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -121.7 | 132.3 | -177.9 | -59.1 | -53.8 | 0 | 0 | 0 | 111.6 | E585 D641 D645 | E585-H643 IonicContact OE1-CE1 3.53Å; E585-H643 IonicContact OE1-CG 2.75Å; E585-H643 IonicContact OE1-ND1 3.48Å; E585-H643 PolarHBondContact OE1-ND1 3.3Å; E585-H643 IonicContact OE2-CE1 3.97Å; E585-H643 PolarHBondContact OE2-CE1 2.92Å; E585-H643 IonicContact OE2-ND1 3.88Å; E585-H643 PolarHBondContact OE2-ND1 2.97Å; D641-H643 PolarHBondContact O-N 2.88Å; D641-H643 VanDerWaalsContact O-N 3.1Å; H643-D645 PolarHBondContact O-N 3.49Å |
| 644 | V | 80.4 | Confident | 85.5 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | trans | -73.2 | 126.5 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | R577 K646 | R577-V644 HydrophobicContact CB-CG2 4.43Å; R577-V644 HydrophobicContact CG-CG2 4.29Å; V644-K646 PolarHBondContact O-N 2.67Å; V644-K646 VanDerWaalsContact O-N 3.14Å | ||
| 645 | D | 83.3 | Confident | 85.3 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 47% | 0.465 | 37% | 0.368 | S | S | . | . | trans | -56.6 | 117.9 | 177.1 | -81 | -34.3 | 0 | 0 | 0 | 111.8 | H643 R647 K648 | H643-D645 PolarHBondContact O-N 3.49Å; D645-R647 PolarHBondContact O-N 3.4Å; D645-K648 HydrophobicContact CB-CD 4.12Å; D645-K648 HydrophobicContact CB-CG 4.06Å; D645-K648 WeakPolarHBondContact O-CB 3.45Å; D645-K648 PolarHBondContact O-N 2.93Å | ||
| 646 | K | 86 | Confident | 84.9 | Confident | 183 Ų | 183 | 73.7 Ų | 73.7 | 80% | 0.796 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -59.3 | -24.6 | 178.1 | -66 | -178.2 | -178.8 | 177 | 0 | 113.4 | V644 K648 L649 | V644-K646 PolarHBondContact O-N 2.67Å; V644-K646 VanDerWaalsContact O-N 3.14Å; K646-K648 PolarHBondContact O-N 2.73Å; K646-L649 PolarHBondContact O-N 3.39Å; K646-L649 VanDerWaalsContact O-N 3.13Å |
| 647 | R | 88.8 | Confident | 84.7 | Confident | 239 Ų | 239 | 76.8 Ų | 76.8 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -65.5 | -24.3 | 176 | -64.5 | -179.8 | -178.5 | 171.1 | 0.7 | 112.8 | D645 L649 | D645-R647 PolarHBondContact O-N 3.4Å; R647-L649 VanDerWaalsContact C-N 3.33Å |
| 648 | K | 85.5 | Confident | 84.4 | Confident | 58 Ų | 58 | 80 Ų | 80 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -81.9 | -12.5 | 175.7 | -61.2 | 178.4 | -178.8 | 171.8 | 0 | 112.2 | E579 D645 K646 S650 N654 L655 | E579-K648 IonicContact OE1-NZ 2.83Å; D645-K648 HydrophobicContact CB-CD 4.12Å; D645-K648 HydrophobicContact CB-CG 4.06Å; D645-K648 WeakPolarHBondContact O-CB 3.45Å; D645-K648 PolarHBondContact O-N 2.93Å; K646-K648 PolarHBondContact O-N 2.73Å; K648-S650 PolarHBondContact O-N 2.96Å; K648-N654 WeakPolarHBondContact CB-OD1 2.91Å; K648-N654 CarbonylContact O-C 3.51Å; K648-N654 WeakPolarHBondContact O-CA 3.29Å; K648-N654 PolarHBondContact O-OD1 3.1Å; K648-L655 WeakPolarHBondContact O-CB 3.44Å; K648-L655 VanDerWaalsContact O-CG 3.32Å; K648-L655 WeakPolarHBondContact O-CG 3.46Å; K648-L655 PolarHBondContact O-N 3.43Å |
| 649 | L | 87.1 | Confident | 83.8 | Confident | 88 Ų | 88 | 84.6 Ų | 84.6 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 104.7 | 178.5 | -63.9 | 172.3 | 0 | 0 | 0 | 109.7 | K646 R647 N654 | K646-L649 PolarHBondContact O-N 3.39Å; K646-L649 VanDerWaalsContact O-N 3.13Å; R647-L649 VanDerWaalsContact C-N 3.33Å; L649-N654 HydrophobicContact CD2-CB 4.13Å |
| 650 | S | 89.2 | Confident | 83.1 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 27% | 0.266 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 175.4 | 173.2 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | K648 F652 G653 | K648-S650 PolarHBondContact O-N 2.96Å; S650-F652 PolarHBondContact O-N 3.06Å; S650-F652 PolarHBondContact OG-N 3.39Å; S650-G653 PolarHBondContact N-O 2.91Å; S650-G653 PolarHBondContact O-N 3.28Å; S650-G653 PolarHBondContact OG-O 2.65Å |
| 651 | E | 90.7 | Very high | 81.8 | Confident | 178 Ų | 178 | 96.7 Ų | 96.7 | 83% | 0.832 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.9 | 172.4 | 64.2 | -173 | 169.1 | 0 | 0 | 113.5 | G653 | E651-G653 VanDerWaalsContact C-N 3.3Š|
| 652 | F | 85.8 | Confident | 80.5 | Confident | 176 Ų | 176 | 99.9 Ų | 99.9 | 77% | 0.772 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 0.3 | 175.6 | -58.4 | -74.2 | 0 | 0 | 0 | 113.2 | S650 | S650-F652 PolarHBondContact O-N 3.06Å; S650-F652 PolarHBondContact OG-N 3.39Å |
| 653 | G | 87.1 | Confident | 79.3 | Confident | 34 Ų | 34 | 103.1 Ų | 103.1 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.5 | -160.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S650 E651 L655 | S650-G653 PolarHBondContact N-O 2.91Å; S650-G653 PolarHBondContact O-N 3.28Å; S650-G653 PolarHBondContact OG-O 2.65Å; E651-G653 VanDerWaalsContact C-N 3.3Å; G653-L655 PolarHBondContact O-N 3.03Å |
| 654 | N | 87.5 | Confident | 77.8 | Confident | 15 Ų | 15 | 101.9 Ų | 101.9 | 8% | 0.08 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 118.8 | -178.4 | -170.9 | -2 | 0 | 0 | 0 | 110.4 | E579 K648 L649 A656 L657 | E579-N654 WeakPolarHBondContact CB-ND2 3.5Å; E579-N654 PolarHBondContact O-ND2 3.5Å; E579-N654 VanDerWaalsContact O-ND2 3.1Å; K648-N654 WeakPolarHBondContact CB-OD1 2.91Å; K648-N654 CarbonylContact O-C 3.51Å; K648-N654 WeakPolarHBondContact O-CA 3.29Å; K648-N654 PolarHBondContact O-OD1 3.1Å; L649-N654 HydrophobicContact CD2-CB 4.13Å; N654-A656 PolarHBondContact O-N 3.16Å; N654-A656 VanDerWaalsContact O-N 3.14Å; N654-A656 PolarHBondContact OD1-N 2.94Å; N654-L657 HydrophobicContact CB-CD1 4.14Å; N654-L657 HydrophobicContact CB-CG 4.19Å; N654-L657 PolarHBondContact O-N 3.39Å |
| 655 | L | 85.9 | Confident | 76 | Confident | 94 Ų | 94 | 109.2 Ų | 109.2 | 49% | 0.492 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -56.6 | -28 | 179.1 | -71.5 | 174.1 | 0 | 0 | 0 | 112.5 | K648 G653 L657 V658 | K648-L655 WeakPolarHBondContact O-CB 3.44Å; K648-L655 VanDerWaalsContact O-CG 3.32Å; K648-L655 WeakPolarHBondContact O-CG 3.46Å; K648-L655 PolarHBondContact O-N 3.43Å; G653-L655 PolarHBondContact O-N 3.03Å; L655-L657 PolarHBondContact O-N 2.95Å; L655-V658 WeakPolarHBondContact O-CB 3.49Å; L655-V658 PolarHBondContact O-N 3.28Å |
| 656 | A | 81.2 | Confident | 74.4 | Confident | 40 Ų | 40 | 111.7 Ų | 111.7 | 33% | 0.331 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -68.6 | -18.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E579 N654 | E579-A656 WeakPolarHBondContact OE2-CB 3.49Å; N654-A656 PolarHBondContact O-N 3.16Å; N654-A656 VanDerWaalsContact O-N 3.14Å; N654-A656 PolarHBondContact OD1-N 2.94Å |
| 657 | L | 82.7 | Confident | 72.6 | Confident | 77 Ų | 77 | 106.8 Ų | 106.8 | 40% | 0.403 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -95.3 | -1 | 176.9 | -58 | 177.8 | 0 | 0 | 0 | 112.8 | E579 T580 N654 L655 D659 | E579-L657 HydrophobicContact CB-CD2 4.48Å; T580-L657 HydrophobicContact CG2-CD1 4.29Å; T580-L657 HydrophobicContact CG2-CD2 3.7Å; N654-L657 HydrophobicContact CB-CD1 4.14Å; N654-L657 HydrophobicContact CB-CG 4.19Å; N654-L657 PolarHBondContact O-N 3.39Å; L655-L657 PolarHBondContact O-N 2.95Å; L657-D659 PolarHBondContact O-N 3.22Å |
| 658 | V | 82.2 | Confident | 70.7 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -76.4 | 118 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | L655 V660 | L655-V658 WeakPolarHBondContact O-CB 3.49Å; L655-V658 PolarHBondContact O-N 3.28Å; V658-V660 VanDerWaalsContact C-N 3.35Å; V658-V660 PolarHBondContact O-N 3.01Å |
| 659 | D | 75.3 | Confident | 69.1 | Low | 107 Ų | 107 | 101 Ų | 101 | 57% | 0.572 | 55% | 0.554 | S | S | * | * | trans | -67.2 | 94.6 | 173.9 | -69.7 | -29.2 | 0 | 0 | 0 | 108.9 | L657 M661 | L657-D659 PolarHBondContact O-N 3.22Å; D659-M661 VanDerWaalsContact C-N 3.33Å; D659-M661 PolarHBondContact O-N 2.85Å; D659-M661 VanDerWaalsContact O-N 3.09Å | ||
| 660 | V | 68 | Low | 67.6 | Low | 116 Ų | 116 | 101.5 Ų | 101.5 | 70% | 0.703 | 55% | 0.554 | S | S | * | * | trans | -76.9 | 92.1 | 167.7 | -175.3 | 0 | 0 | 0 | 0 | 106.2 | V658 E662 | V658-V660 VanDerWaalsContact C-N 3.35Å; V658-V660 PolarHBondContact O-N 3.01Å; V660-E662 VanDerWaalsContact C-N 3.31Å; V660-E662 PolarHBondContact O-N 2.74Å | ||
| 661 | M | 59.2 | Low | 66.1 | Low | 146 Ų | 146 | 107.2 Ų | 107.2 | 72% | 0.719 | 58% | 0.58 | S | S | * | * | trans | -66.6 | 101.6 | 162.3 | -55.7 | -150.7 | 96.1 | 0 | 0 | 105.5 | D659 D663 T669 | D659-M661 VanDerWaalsContact C-N 3.33Å; D659-M661 PolarHBondContact O-N 2.85Å; D659-M661 VanDerWaalsContact O-N 3.09Å; M661-D663 PolarHBondContact O-N 2.77Å; M661-T669 HydrophobicContact CE-CG2 4.35Å | ||
| 662 | E | 53.5 | Low | 64.7 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | trans | -54.8 | 132.8 | 160.6 | -71.1 | -172.3 | 170 | 0 | 0 | 105.8 | V660 N664 | V660-E662 VanDerWaalsContact C-N 3.31Å; V660-E662 PolarHBondContact O-N 2.74Å; E662-N664 PolarHBondContact O-N 3.08Å; E662-N664 PolarHBondContact OE2-ND2 3.28Å | ||
| 663 | D | 46.4 | Very low | 64.1 | Low | 147 Ų | 147 | 96.9 Ų | 96.9 | 79% | 0.786 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -64 | 35.7 | 176 | -63.8 | -39.5 | 0 | 0 | 0 | 112.4 | M661 E665 | M661-D663 PolarHBondContact O-N 2.77Å; D663-E665 PolarHBondContact O-N 2.92Å |
| 664 | N | 49 | Very low | 63.5 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | trans | -71 | 73.4 | 162.6 | -61.5 | -34.6 | 0 | 0 | 0 | 106.9 | E662 E666 | E662-N664 PolarHBondContact O-N 3.08Å; E662-N664 PolarHBondContact OE2-ND2 3.28Å; N664-E666 PolarHBondContact O-N 3.01Å | ||
| 665 | E | 42.2 | Very low | 62.6 | Low | 181 Ų | 181 | 103 Ų | 103 | 85% | 0.846 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 2.4 | 177.7 | -68.6 | -173.5 | 150.3 | 0 | 0 | 113.9 | D663 | D663-E665 PolarHBondContact O-N 2.92Š|
| 666 | E | 50.2 | Low | 61.5 | Low | 138 Ų | 138 | 103.1 Ų | 103.1 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 0.3 | -162.9 | -61.2 | -171.6 | 162.7 | 0 | 0 | 115 | N664 | N664-E666 PolarHBondContact O-N 3.01Š|
| 667 | V | 48.2 | Very low | 60.7 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -115 | 112.6 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | T669 | V667-T669 PolarHBondContact O-N 3.48Š|
| 668 | G | 49.2 | Very low | 59.3 | Low | 68 Ų | 68 | 111 Ų | 111 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | trans | -43.5 | 112.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q670 | G668-Q670 PolarHBondContact O-N 2.85Š| ||
| 669 | T | 51.6 | Low | 58.1 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | trans | -60.8 | 102.2 | -174.4 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | M661 V667 I671 | M661-T669 HydrophobicContact CE-CG2 4.35Å; V667-T669 PolarHBondContact O-N 3.48Å; T669-I671 PolarHBondContact O-N 2.88Å; T669-I671 VanDerWaalsContact O-N 3.09Å | ||
| 670 | Q | 54.6 | Low | 57 | Low | 100 Ų | 100 | 107 Ų | 107 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | trans | -68.8 | 105.3 | 170.3 | -69.7 | -174.4 | -16.6 | 0 | 0 | 107.9 | G668 S672 P681 | G668-Q670 PolarHBondContact O-N 2.85Å; Q670-S672 PolarHBondContact O-N 2.85Å; Q670-P681 PolarHBondContact OE1-O 2.84Å | ||
| 671 | I | 57.9 | Low | 56.2 | Low | 158 Ų | 158 | 105.6 Ų | 105.6 | 81% | 0.81 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.9 | 178 | -57.4 | 170.8 | 0 | 0 | 0 | 108.1 | T669 | T669-I671 PolarHBondContact O-N 2.88Å; T669-I671 VanDerWaalsContact O-N 3.09Å |
| 672 | S | 62.1 | Low | 55.7 | Low | 28 Ų | 28 | 99.1 Ų | 99.1 | 20% | 0.196 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 149.4 | 174.2 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | Q670 D680 | Q670-S672 PolarHBondContact O-N 2.85Å; S672-D680 VanDerWaalsContact CA-OD2 3.32Å; S672-D680 WeakPolarHBondContact CA-OD2 3.49Å; S672-D680 WeakPolarHBondContact CB-OD2 3.47Å |
| 673 | L | 72.7 | Confident | 55.6 | Low | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 124.3 | 175.9 | -66.8 | 171.7 | 0 | 0 | 0 | 109.9 | G675 F676 D680 | L673-G675 PolarHBondContact O-N 3.23Å; L673-F676 HydrophobicContact CB-CB 4.32Å; L673-F676 PolarHBondContact O-N 2.86Å; L673-D680 PolarHBondContact N-OD2 2.86Å |
| 674 | P | 73.3 | Confident | 55.8 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 72% | 0.721 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 132.4 | -178.4 | 26 | -33.3 | 0 | 0 | 0 | 111.6 | F676 | P674-F676 VanDerWaalsContact C-N 3.35Š|
| 675 | G | 68.6 | Low | 56.2 | Low | 67 Ų | 67 | 97.6 Ų | 97.6 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -1.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L673 R677 | L673-G675 PolarHBondContact O-N 3.23Å; G675-R677 PolarHBondContact O-N 2.73Å; G675-R677 VanDerWaalsContact O-N 3.14Å |
| 676 | F | 64.4 | Low | 57.4 | Low | 97 Ų | 97 | 94.4 Ų | 94.4 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | trans | -75.5 | 102.7 | 176.7 | -154.5 | -107.3 | 0 | 0 | 0 | 110 | L673 P674 A678 D680 | L673-F676 HydrophobicContact CB-CB 4.32Å; L673-F676 PolarHBondContact O-N 2.86Å; P674-F676 VanDerWaalsContact C-N 3.35Å; F676-A678 HydrophobicContact CD1-CB 4.35Å; F676-A678 WeakPolarHBondContact CD1-O 3.11Å; F676-A678 VanDerWaalsContact CE1-C 3.4Å; F676-A678 HydrophobicContact CE1-CB 3.81Å; F676-A678 WeakPolarHBondContact CE1-O 3.28Å; F676-A678 HydrophobicContact CE2-CB 4.49Å; F676-A678 HydrophobicContact CZ-CB 3.89Å; F676-D680 HydrophobicContact CD1-CB 3.72Å; F676-D680 HydrophobicContact CE1-CB 4.44Å | ||
| 677 | R | 62.5 | Low | 58.8 | Low | 232 Ų | 232 | 90 Ų | 90 | 88% | 0.875 | 50% | 0.496 | S | S | * | . | trans | -85.5 | -23.4 | 174.8 | -68.6 | -174.2 | 178.5 | -178 | -2.1 | 112.8 | G675 | G675-R677 PolarHBondContact O-N 2.73Å; G675-R677 VanDerWaalsContact O-N 3.14Å | ||
| 678 | A | 54.9 | Low | 60.4 | Low | 51 Ų | 51 | 88.7 Ų | 88.7 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -74.1 | 167.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F676 D680 | F676-A678 HydrophobicContact CD1-CB 4.35Å; F676-A678 WeakPolarHBondContact CD1-O 3.11Å; F676-A678 VanDerWaalsContact CE1-C 3.4Å; F676-A678 HydrophobicContact CE1-CB 3.81Å; F676-A678 WeakPolarHBondContact CE1-O 3.28Å; F676-A678 HydrophobicContact CE2-CB 4.49Å; F676-A678 HydrophobicContact CZ-CB 3.89Å; A678-D680 PolarHBondContact O-N 2.8Å |
| 679 | H | 56.5 | Low | 62.1 | Low | 59 Ų | 59 | 90.1 Ų | 90.1 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | trans | -62.2 | 92.1 | -169.2 | -58.2 | -70.4 | 0 | 0 | 0 | 113.3 | H360 Y379 | H360-H679 AromaticContact CD2-CG 3.97Å; H360-H679 VanDerWaalsContact CE1-CB 3.45Å; H360-H679 WeakPolarHBondContact CE1-CB 3.26Å; H360-H679 AromaticContact CG-CD2 3.95Å; H360-H679 AromaticContact CG-CG 3.73Å; H360-H679 AromaticContact ND1-CG 3.88Å; Y379-H679 AromaticContact CD2-CD2 3.9Å; Y379-H679 AromaticContact CD2-NE2 3.24Å; Y379-H679 WeakPolarHBondContact CD2-NE2 3.33Å; Y379-H679 AromaticContact CG-CD2 3.94Å; Y379-H679 AromaticContact CG-NE2 3.77Å | ||
| 680 | D | 52.4 | Low | 64 | Low | 38 Ų | 38 | 85.4 Ų | 85.4 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | trans | -71.4 | 128.5 | 171.2 | -162.3 | -11.2 | 0 | 0 | 0 | 108.1 | S672 L673 F676 A678 G682 | S672-D680 VanDerWaalsContact CA-OD2 3.32Å; S672-D680 WeakPolarHBondContact CA-OD2 3.49Å; S672-D680 WeakPolarHBondContact CB-OD2 3.47Å; L673-D680 PolarHBondContact N-OD2 2.86Å; F676-D680 HydrophobicContact CD1-CB 3.72Å; F676-D680 HydrophobicContact CE1-CB 4.44Å; A678-D680 PolarHBondContact O-N 2.8Å; D680-G682 VanDerWaalsContact CG-N 3.34Å; D680-G682 PolarHBondContact O-N 2.72Å; D680-G682 PolarHBondContact OD1-N 3.39Å | ||
| 681 | P | 50.7 | Low | 65.7 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -60.1 | -20.6 | 163.4 | 24.5 | -33.9 | 0 | 0 | 0 | 112.5 | R337 Q670 | R337-P681 PolarHBondContact NH2-O 3.14Å; Q670-P681 PolarHBondContact OE1-O 2.84Å |
| 682 | G | 48.4 | Very low | 67.5 | Low | 10 Ų | 10 | 75.1 Ų | 75.1 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -65.1 | 136.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D680 R684 | D680-G682 VanDerWaalsContact CG-N 3.34Å; D680-G682 PolarHBondContact O-N 2.72Å; D680-G682 PolarHBondContact OD1-N 3.39Å; G682-R684 PolarHBondContact O-N 2.87Å |
| 683 | I | 51.9 | Low | 69 | Low | 104 Ų | 104 | 74.9 Ų | 74.9 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | trans | -76.2 | 93.4 | -174.2 | -57.7 | 163.4 | 0 | 0 | 0 | 108.9 | T685 | I683-T685 HydrophobicContact CG2-CG2 4.07Š| ||
| 684 | R | 51.5 | Low | 70.1 | Confident | 127 Ų | 127 | 70.6 Ų | 70.6 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | trans | -106.2 | 118.9 | 153.6 | -89.6 | 179.5 | 175.9 | -167.4 | -6.3 | 108.6 | G682 Y686 | G682-R684 PolarHBondContact O-N 2.87Å; R684-Y686 VanDerWaalsContact C-N 3.28Å; R684-Y686 HydrophobicContact CB-CD1 3.95Å; R684-Y686 HydrophobicContact CB-CE1 4.24Å; R684-Y686 PolarHBondContact O-N 2.89Å; R684-Y686 VanDerWaalsContact O-N 3.12Å | ||
| 685 | T | 56.9 | Low | 71.2 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | trans | -86.9 | 65.4 | 178.1 | 49 | 0 | 0 | 0 | 0 | 110.2 | I683 | I683-T685 HydrophobicContact CG2-CG2 4.07Š| ||
| 686 | Y | 66.9 | Low | 72.5 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 147.7 | 161.8 | 66.4 | -84.9 | 0 | 0 | 0 | 109.4 | R684 | R684-Y686 VanDerWaalsContact C-N 3.28Å; R684-Y686 HydrophobicContact CB-CD1 3.95Å; R684-Y686 HydrophobicContact CB-CE1 4.24Å; R684-Y686 PolarHBondContact O-N 2.89Å; R684-Y686 VanDerWaalsContact O-N 3.12Å |
| 687 | K | 79.4 | Confident | 74 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 131.4 | 173.6 | -68.6 | -177 | -177.4 | 179.2 | 0 | 109.4 | E579 R635 S636 D638 E689 | E579-K687 IonicContact OE1-NZ 3.05Å; E579-K687 PolarHBondContact OE1-NZ 3.38Å; E579-K687 IonicContact OE2-NZ 3.44Å; R635-K687 PolarHBondContact O-NZ 3.27Å; S636-K687 WeakPolarHBondContact O-CG 3.44Å; D638-K687 HydrophobicContact CB-CB 3.93Å; K687-E689 PolarHBondContact O-N 3.43Å |
| 688 | P | 82.7 | Confident | 75.5 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.1 | 177.5 | 28.3 | -34.5 | 0 | 0 | 0 | 109.7 | I637 D638 | I637-P688 WeakPolarHBondContact CG2-O 3.28Å; D638-P688 PolarHBondContact N-O 2.64Å |
| 689 | E | 85 | Confident | 77.2 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 133.6 | 175.6 | -67.8 | 177.7 | -173.1 | 0 | 0 | 110.9 | D638 K687 N691 N709 | D638-E689 HydrophobicContact CB-CG 4.47Å; K687-E689 PolarHBondContact O-N 3.43Å; E689-N691 PolarHBondContact O-N 3.5Å; E689-N709 PolarHBondContact O-ND2 3.05Å |
| 690 | I | 90.2 | Very high | 78.6 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 126.1 | 176.6 | -172.6 | 59.4 | 0 | 0 | 0 | 111.6 | P613 V631 T632 I637 D638 C639 V640 | P613-I690 HydrophobicContact CB-CG1 4.18Å; V631-I690 HydrophobicContact CG1-CD1 4.49Å; T632-I690 HydrophobicContact CG2-CD1 3.85Å; I637-I690 HydrophobicContact CG2-CB 3.78Å; I637-I690 HydrophobicContact CG2-CD1 4.12Å; D638-I690 PolarHBondContact O-N 3.21Å; C639-I690 HydrophobicContact CB-CG2 3.78Å; V640-I690 HydrophobicContact CG2-CB 4.4Å |
| 691 | N | 91.5 | Very high | 80.2 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | trans | -144.1 | 135.8 | 175.2 | -170.8 | 25.6 | 0 | 0 | 0 | 110.5 | E689 S708 N709 | E689-N691 PolarHBondContact O-N 3.5Å; N691-S708 WeakPolarHBondContact O-CA 3.42Å; N691-N709 PolarHBondContact N-OD1 2.83Å; N691-N709 VanDerWaalsContact N-OD1 3.1Å; N691-N709 PolarHBondContact O-N 3.3Å; N691-N709 PolarHBondContact O-OD1 2.81Å | ||
| 692 | V | 94.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 100 | 165.7 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | A609 G610 I615 V631 V695 A706 C707 | A609-V692 HydrophobicContact CB-CB 3.86Å; A609-V692 HydrophobicContact CB-CG1 3.6Å; G610-V692 PolarHBondContact O-N 2.86Å; I615-V692 HydrophobicContact CD1-CG1 4.27Å; I615-V692 HydrophobicContact CD1-CG2 4.44Å; I615-V692 HydrophobicContact CG1-CG2 4.34Å; V631-V692 HydrophobicContact CG1-CG2 4.44Å; V631-V692 HydrophobicContact CG2-CG2 3.94Å; V692-V695 HydrophobicContact CG1-CG1 3.64Å; V692-A706 HydrophobicContact CG1-CB 4.07Å; V692-C707 CarbonylContact C-O 3.56Å; V692-C707 VanDerWaalsContact CA-O 3.27Å; V692-C707 WeakPolarHBondContact CA-O 3.49Å; V692-C707 WeakPolarHBondContact CG1-O 3.5Å |
| 693 | S | 94 | Very high | 84 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -34.4 | -171.7 | 54 | 0 | 0 | 0 | 0 | 113 | M362 A363 C707 | M362-S693 VanDerWaalsContact O-CB 3.31Å; M362-S693 WeakPolarHBondContact O-CB 3.22Å; M362-S693 PolarHBondContact O-OG 2.89Å; A363-S693 WeakPolarHBondContact O-CB 3.1Å; A363-S693 PolarHBondContact O-OG 2.86Å; S693-C707 PolarHBondContact N-O 2.95Å; S693-C707 WeakPolarHBondContact OG-CB 3.48Å; S693-C707 PolarHBondContact OG-O 2.79Å |
| 694 | S | 95.9 | Very high | 86.1 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 139.7 | -176 | -174.5 | 0 | 0 | 0 | 0 | 111 | V365 C707 | V365-S694 PolarHBondContact N-OG 2.96Å; S694-C707 PolarHBondContact O-N 3.09Å |
| 695 | V | 96.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.3 | 174.4 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | T596 C598 L607 A609 I615 V692 A705 A706 | T596-V695 HydrophobicContact CG2-CB 4.48Å; T596-V695 HydrophobicContact CG2-CG1 4.27Å; T596-V695 HydrophobicContact CG2-CG2 3.88Å; T596-V695 PolarHBondContact OG1-N 2.73Å; C598-V695 HydrophobicContact CB-CG2 4.19Å; C598-V695 WeakPolarHBondContact CB-O 3.48Å; L607-V695 HydrophobicContact CB-CG2 4.2Å; A609-V695 HydrophobicContact CB-CG1 3.49Å; A609-V695 VanDerWaalsContact CB-CG1 3.49Å; A609-V695 HydrophobicContact CB-CG2 4.46Å; I615-V695 HydrophobicContact CD1-CG1 4.32Å; V692-V695 HydrophobicContact CG1-CG1 3.64Å; V695-A705 WeakPolarHBondContact CA-O 3.27Å; V695-A706 HydrophobicContact CG1-CB 3.97Å |
| 696 | Q | 96.2 | Very high | 90.1 | Very high | 46 Ų | 46 | 26.6 Ų | 26.6 | 22% | 0.215 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 138 | 175.1 | -158.6 | -171.7 | 20.6 | 0 | 0 | 113.2 | V365 S366 Y367 W704 A705 | V365-Q696 HydrophobicContact CG1-CB 4.31Å; S366-Q696 VanDerWaalsContact C-OE1 3.26Å; S366-Q696 PolarHBondContact OG-NE2 2.96Å; Y367-Q696 HydrophobicContact CD2-CB 4.27Å; Y367-Q696 HydrophobicContact CD2-CG 4.39Å; Q696-W704 CarbonylContact O-C 3.58Å; Q696-W704 VanDerWaalsContact O-CA 3.3Å; Q696-W704 WeakPolarHBondContact O-CA 3.25Å; Q696-W704 WeakPolarHBondContact O-CB 3.39Å; Q696-A705 PolarHBondContact N-O 2.96Å; Q696-A705 PolarHBondContact O-N 2.84Å |
| 697 | F | 95.5 | Very high | 91.4 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 143.7 | 166.5 | -80.5 | -82.4 | 0 | 0 | 0 | 112.1 | M1 F5 C598 F599 P601 L607 L617 W704 | M1-F697 HydrophobicContact CE-CE1 4.37Å; F5-F697 HydrophobicContact CE2-CE1 4.4Å; F5-F697 HydrophobicContact CZ-CE1 4.12Å; C598-F697 PolarHBondContact SG-N 3.09Å; C598-F697 VanDerWaalsContact SG-N 3.45Å; F599-F697 VanDerWaalsContact C-CD2 3.49Å; F599-F697 VanDerWaalsContact O-CD2 3.24Å; F599-F697 WeakPolarHBondContact O-CD2 3.41Å; P601-F697 HydrophobicContact CG-CB 4.3Å; L607-F697 HydrophobicContact CB-CE2 4.04Å; L607-F697 HydrophobicContact CD1-CD1 4.36Å; L607-F697 HydrophobicContact CD1-CD2 3.72Å; L607-F697 HydrophobicContact CD1-CE1 4Å; L607-F697 HydrophobicContact CD1-CE2 3.33Å; L607-F697 HydrophobicContact CD1-CG 4.24Å; L607-F697 HydrophobicContact CD1-CZ 3.48Å; L607-F697 VanDerWaalsContact CD1-CZ 3.48Å; L607-F697 HydrophobicContact CD2-CZ 4.37Å; L607-F697 HydrophobicContact CG-CD2 4.19Å; L607-F697 HydrophobicContact CG-CE1 4.46Å; L607-F697 HydrophobicContact CG-CE2 3.36Å; L607-F697 HydrophobicContact CG-CZ 3.52Å; L617-F697 HydrophobicContact CD1-CE2 4.48Å; L617-F697 HydrophobicContact CD1-CZ 3.79Å; F697-W704 HydrophobicContact CD1-CB 3.81Å; F697-W704 HydrophobicContact CD1-CG 4.36Å; F697-W704 HydrophobicContact CE1-CB 4.22Å; F697-W704 AromaticContact CE1-CD1 3.9Å; F697-W704 HydrophobicContact CE1-CG 4.31Å; F697-W704 HydrophobicContact CG-CB 4.21Å |
| 698 | S | 93.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | trans | -62.7 | 137.7 | 162 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | P601 T700 G701 A703 | P601-S698 WeakPolarHBondContact CG-O 3.08Å; S698-T700 PolarHBondContact O-N 3.37Å; S698-T700 PolarHBondContact OG-N 2.9Å; S698-T700 PolarHBondContact OG-OG1 2.9Å; S698-G701 PolarHBondContact O-N 2.8Å; S698-A703 WeakPolarHBondContact CB-O 3.49Å; S698-A703 PolarHBondContact N-O 3.02Å | ||
| 699 | P | 90.7 | Very high | 92.4 | Very high | 32 Ų | 32 | 17 Ų | 17 | 21% | 0.208 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -20.9 | 172.3 | -28.7 | 37.4 | 0 | 0 | 0 | 114.3 | S368 P369 G701 T834 | S368-P699 WeakPolarHBondContact O-CG 3.36Å; P369-P699 WeakPolarHBondContact O-CB 3.46Å; P699-G701 VanDerWaalsContact C-N 3.26Å; P699-G701 PolarHBondContact O-N 2.82Å; P699-T834 HydrophobicContact CB-CG2 4.06Å |
| 700 | T | 86 | Confident | 92.5 | Very high | 9 Ų | 9 | 12.3 Ų | 12.3 | 6% | 0.055 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.7 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | S698 R702 P831 T834 K835 | S698-T700 PolarHBondContact O-N 3.37Å; S698-T700 PolarHBondContact OG-N 2.9Å; S698-T700 PolarHBondContact OG-OG1 2.9Å; T700-R702 PolarHBondContact O-N 3.02Å; T700-P831 VanDerWaalsContact O-CB 3.29Å; T700-P831 WeakPolarHBondContact O-CB 3.47Å; T700-T834 HydrophobicContact CG2-CG2 4.17Å; T700-K835 HydrophobicContact CG2-CB 4.03Å; T700-K835 HydrophobicContact CG2-CD 4.1Å |
| 701 | G | 85.6 | Confident | 92.6 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 5% | 0.052 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 70 | -16.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1 S698 P699 A703 | M1-G701 VanDerWaalsContact CE-C 3.48Å; M1-G701 WeakPolarHBondContact CE-O 3.23Å; S698-G701 PolarHBondContact O-N 2.8Å; P699-G701 VanDerWaalsContact C-N 3.26Å; P699-G701 PolarHBondContact O-N 2.82Å; G701-A703 VanDerWaalsContact C-N 3.28Å; G701-A703 PolarHBondContact O-N 2.93Å |
| 702 | R | 86.6 | Confident | 92.8 | Very high | 36 Ų | 36 | 10 Ų | 10 | 14% | 0.136 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -78.5 | -11.7 | -172.8 | -63.5 | -168.2 | 69.1 | 98.3 | -15.5 | 115.5 | T700 S716 L717 D718 E795 | T700-R702 PolarHBondContact O-N 3.02Å; R702-S716 WeakPolarHBondContact O-CA 3.22Å; R702-L717 PolarHBondContact O-N 2.95Å; R702-D718 IonicContact CZ-OD1 3.76Å; R702-D718 IonicContact NE-OD1 3.49Å; R702-D718 PolarHBondContact NE-OD1 2.78Å; R702-D718 IonicContact NE-OD2 3.63Å; R702-D718 IonicContact NH2-OD1 2.94Å; R702-D718 PolarHBondContact NH2-OD1 2.77Å; R702-E795 IonicContact CZ-OE1 3.99Å; R702-E795 IonicContact CZ-OE2 2.85Å; R702-E795 IonicContact NH1-OE1 3.01Å; R702-E795 PolarHBondContact NH1-OE1 3.3Å; R702-E795 IonicContact NH1-OE2 2.77Å; R702-E795 PolarHBondContact NH1-OE2 3.44Å; R702-E795 VanDerWaalsContact NH2-CD 3.26Å; R702-E795 IonicContact NH2-OE1 3.77Å; R702-E795 IonicContact NH2-OE2 3.11Å; R702-E795 PolarHBondContact NH2-OE2 3.49Å |
| 703 | A | 92.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 10 Ų | 10 | 11% | 0.107 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S698 G701 I714 Y715 | S698-A703 WeakPolarHBondContact CB-O 3.49Å; S698-A703 PolarHBondContact N-O 3.02Å; G701-A703 VanDerWaalsContact C-N 3.28Å; G701-A703 PolarHBondContact O-N 2.93Å; A703-I714 HydrophobicContact CB-CG2 4.44Å; A703-Y715 CarbonylContact C-O 3.59Å; A703-Y715 WeakPolarHBondContact CA-O 3.36Å; A703-Y715 VanDerWaalsContact CB-O 3.26Å; A703-Y715 WeakPolarHBondContact CB-O 3.33Å |
| 704 | W | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.5 | 167.8 | 52.9 | -93.2 | 0 | 0 | 0 | 109.2 | F5 L607 I615 F629 Q696 F697 A706 Y715 | F5-W704 AromaticContact CD1-CD1 3.51Å; F5-W704 AromaticContact CD1-NE1 3.47Å; F5-W704 AromaticContact CD2-CD1 4Å; F5-W704 AromaticContact CD2-NE1 3.51Å; F5-W704 AromaticContact CE1-CD1 3.58Å; F5-W704 AromaticContact CE1-NE1 3.97Å; F5-W704 AromaticContact CG-CD1 3.73Å; F5-W704 AromaticContact CG-NE1 3.21Å; F5-W704 AromaticContact CZ-CD1 3.84Å; L607-W704 HydrophobicContact CD1-CB 3.85Å; L607-W704 HydrophobicContact CD1-CD2 3.86Å; L607-W704 HydrophobicContact CD1-CE3 4.13Å; L607-W704 HydrophobicContact CD1-CG 3.76Å; I615-W704 HydrophobicContact CD1-CH2 4.1Å; I615-W704 HydrophobicContact CD1-CZ3 3.74Å; F629-W704 HydrophobicContact CB-CH2 4.05Å; F629-W704 HydrophobicContact CB-CZ2 4.28Å; F629-W704 HydrophobicContact CD1-CH2 4.42Å; F629-W704 AromaticContact CD1-CZ2 3.86Å; F629-W704 HydrophobicContact CD1-CZ2 3.86Å; F629-W704 HydrophobicContact CD2-CH2 4.07Å; F629-W704 AromaticContact CD2-CZ2 3.64Å; F629-W704 HydrophobicContact CD2-CZ2 3.64Å; F629-W704 HydrophobicContact CE1-CZ2 4.02Å; F629-W704 AromaticContact CE2-CZ2 3.8Å; F629-W704 HydrophobicContact CE2-CZ2 3.8Å; F629-W704 AromaticContact CG-CH2 3.94Å; F629-W704 HydrophobicContact CG-CH2 3.94Å; F629-W704 AromaticContact CG-CZ2 3.66Å; F629-W704 HydrophobicContact CG-CZ2 3.66Å; F629-W704 AromaticContact CZ-CZ2 3.99Å; F629-W704 HydrophobicContact CZ-CZ2 3.99Å; Q696-W704 CarbonylContact O-C 3.58Å; Q696-W704 VanDerWaalsContact O-CA 3.3Å; Q696-W704 WeakPolarHBondContact O-CA 3.25Å; Q696-W704 WeakPolarHBondContact O-CB 3.39Å; F697-W704 HydrophobicContact CD1-CB 3.81Å; F697-W704 HydrophobicContact CD1-CG 4.36Å; F697-W704 HydrophobicContact CE1-CB 4.22Å; F697-W704 AromaticContact CE1-CD1 3.9Å; F697-W704 HydrophobicContact CE1-CG 4.31Å; F697-W704 HydrophobicContact CG-CB 4.21Å; W704-A706 HydrophobicContact CE3-CB 4.47Å; W704-A706 HydrophobicContact CZ3-CB 4.05Å; W704-Y715 HydrophobicContact CD2-CD2 4.3Å; W704-Y715 HydrophobicContact CD2-CG 4.35Å; W704-Y715 VanDerWaalsContact CE2-CB 3.42Å; W704-Y715 AromaticContact CE2-CG 3.83Å; W704-Y715 AromaticContact CE3-CD2 3.89Å; W704-Y715 HydrophobicContact CE3-CD2 3.89Å; W704-Y715 HydrophobicContact CE3-CG 4.39Å; W704-Y715 AromaticContact CH2-CD1 3.97Å; W704-Y715 HydrophobicContact CH2-CD1 3.97Å; W704-Y715 AromaticContact CH2-CD2 3.11Å; W704-Y715 HydrophobicContact CH2-CD2 3.11Å; W704-Y715 HydrophobicContact CH2-CE1 4.22Å; W704-Y715 AromaticContact CH2-CE2 3.41Å; W704-Y715 HydrophobicContact CH2-CE2 3.41Å; W704-Y715 VanDerWaalsContact CH2-CE2 3.41Å; W704-Y715 AromaticContact CH2-CG 3.42Å; W704-Y715 HydrophobicContact CH2-CG 3.42Å; W704-Y715 VanDerWaalsContact CH2-CG 3.42Å; W704-Y715 AromaticContact CH2-CZ 3.96Å; W704-Y715 VanDerWaalsContact CZ2-CB 3.49Å; W704-Y715 AromaticContact CZ2-CD1 3.8Å; W704-Y715 HydrophobicContact CZ2-CD1 3.8Å; W704-Y715 AromaticContact CZ2-CD2 3.59Å; W704-Y715 HydrophobicContact CZ2-CD2 3.59Å; W704-Y715 HydrophobicContact CZ2-CE1 4.4Å; W704-Y715 HydrophobicContact CZ2-CE2 4.21Å; W704-Y715 AromaticContact CZ2-CG 3.34Å; W704-Y715 HydrophobicContact CZ2-CG 3.34Å; W704-Y715 AromaticContact CZ3-CD2 3.27Å; W704-Y715 HydrophobicContact CZ3-CD2 3.27Å; W704-Y715 AromaticContact CZ3-CE2 3.68Å; W704-Y715 HydrophobicContact CZ3-CE2 3.68Å; W704-Y715 AromaticContact CZ3-CG 3.95Å; W704-Y715 HydrophobicContact CZ3-CG 3.95Å; W704-Y715 PolarHBondContact N-O 2.8Å; W704-Y715 PolarHBondContact O-N 3Å |
| 705 | A | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V365 Y367 I374 V695 Q696 V712 L713 | V365-A705 HydrophobicContact CG2-CB 4.45Å; Y367-A705 HydrophobicContact CE2-CB 3.51Å; I374-A705 HydrophobicContact CD1-CB 4.21Å; V695-A705 WeakPolarHBondContact CA-O 3.27Å; Q696-A705 PolarHBondContact N-O 2.96Å; Q696-A705 PolarHBondContact O-N 2.84Å; A705-V712 HydrophobicContact CB-CG1 3.84Å; A705-L713 CarbonylContact C-O 3.54Å; A705-L713 VanDerWaalsContact CA-O 3.24Å; A705-L713 WeakPolarHBondContact CA-O 3.33Å |
| 706 | A | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I615 V692 V695 W704 S708 V712 L713 | I615-A706 HydrophobicContact CD1-CB 3.51Å; V692-A706 HydrophobicContact CG1-CB 4.07Å; V695-A706 HydrophobicContact CG1-CB 3.97Å; W704-A706 HydrophobicContact CE3-CB 4.47Å; W704-A706 HydrophobicContact CZ3-CB 4.05Å; A706-S708 PolarHBondContact O-N 2.58Å; A706-V712 CarbonylContact O-C 3.59Å; A706-V712 WeakPolarHBondContact O-CA 3.34Å; A706-L713 PolarHBondContact N-O 3.02Å; A706-L713 PolarHBondContact O-N 3.02Å |
| 707 | C | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 110.7 | 168.2 | -89.2 | 0 | 0 | 0 | 0 | 109.1 | M362 V692 S693 S694 | M362-C707 HydrophobicContact CB-CB 4.28Å; V692-C707 CarbonylContact C-O 3.56Å; V692-C707 VanDerWaalsContact CA-O 3.27Å; V692-C707 WeakPolarHBondContact CA-O 3.49Å; V692-C707 WeakPolarHBondContact CG1-O 3.5Å; S693-C707 PolarHBondContact N-O 2.95Å; S693-C707 WeakPolarHBondContact OG-CB 3.48Å; S693-C707 PolarHBondContact OG-O 2.79Å; S694-C707 PolarHBondContact O-N 3.09Å |
| 708 | S | 93.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 3% | 0.028 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 173.9 | 174.8 | 70.3 | 0 | 0 | 0 | 0 | 110.5 | N691 A706 E710 G711 | N691-S708 WeakPolarHBondContact O-CA 3.42Å; A706-S708 PolarHBondContact O-N 2.58Å; S708-E710 PolarHBondContact O-N 3.13Å; S708-E710 PolarHBondContact OG-N 2.87Å; S708-G711 PolarHBondContact N-O 2.93Å; S708-G711 PolarHBondContact O-N 3.31Å; S708-G711 PolarHBondContact OG-O 3.19Å |
| 709 | N | 88.8 | Confident | 89.5 | Confident | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.032 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.2 | 170.1 | -65.5 | 28.4 | 0 | 0 | 0 | 112.8 | R16 I637 E689 N691 | R16-N709 VanDerWaalsContact CZ-O 3.29Å; R16-N709 PolarHBondContact NH1-O 3.04Å; R16-N709 PolarHBondContact NH2-O 3.42Å; I637-N709 HydrophobicContact CD1-CB 4.44Å; E689-N709 PolarHBondContact O-ND2 3.05Å; N691-N709 PolarHBondContact N-OD1 2.83Å; N691-N709 VanDerWaalsContact N-OD1 3.1Å; N691-N709 PolarHBondContact O-N 3.3Å; N691-N709 PolarHBondContact O-OD1 2.81Å |
| 710 | E | 88.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -25.9 | -177.7 | -67.3 | -174.7 | 167.6 | 0 | 0 | 113.3 | L10 T13 N35 K36 T632 N634 I637 S708 | L10-E710 HydrophobicContact CD1-CB 4.34Å; T13-E710 WeakPolarHBondContact CB-O 3.43Å; T13-E710 WeakPolarHBondContact CG2-O 3.37Å; T13-E710 PolarHBondContact OG1-O 2.76Å; N35-E710 PolarHBondContact OD1-OE1 2.68Å; K36-E710 IonicContact NZ-OE2 3.91Å; K36-E710 PolarHBondContact NZ-OE2 3.38Å; T632-E710 WeakPolarHBondContact CB-OE1 3.46Å; T632-E710 PolarHBondContact OG1-OE1 3.26Å; N634-E710 WeakPolarHBondContact CB-OE1 3.46Å; N634-E710 PolarHBondContact ND2-OE1 3.33Å; I637-E710 HydrophobicContact CD1-CG 3.69Å; S708-E710 PolarHBondContact O-N 3.13Å; S708-E710 PolarHBondContact OG-N 2.87Å |
| 711 | G | 92.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.2 | -168 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M362 S708 | M362-G711 VanDerWaalsContact CE-CA 3.45Å; S708-G711 PolarHBondContact N-O 2.93Å; S708-G711 PolarHBondContact O-N 3.31Å; S708-G711 PolarHBondContact OG-O 3.19Å |
| 712 | V | 94.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.1 | 169.8 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | V11 M362 V365 T376 A705 A706 | V11-V712 HydrophobicContact CB-CB 4.42Å; V11-V712 PolarHBondContact N-O 3.46Å; V11-V712 WeakPolarHBondContact O-CA 3.5Å; V11-V712 WeakPolarHBondContact O-CB 3.3Å; V11-V712 PolarHBondContact O-N 2.87Å; M362-V712 HydrophobicContact CE-CG2 3.66Å; M362-V712 HydrophobicContact SD-CG2 3.53Å; M362-V712 VanDerWaalsContact SD-CG2 3.53Å; V365-V712 HydrophobicContact CG2-CG1 4.41Å; T376-V712 HydrophobicContact CG2-CG2 3.64Å; A705-V712 HydrophobicContact CB-CG1 3.84Å; A706-V712 CarbonylContact O-C 3.59Å; A706-V712 WeakPolarHBondContact O-CA 3.34Å |
| 713 | L | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127 | 175.6 | -58.5 | 173.4 | 0 | 0 | 0 | 109.2 | F7 L10 V631 A705 A706 Y715 | F7-L713 HydrophobicContact CD2-CD2 4.48Å; F7-L713 HydrophobicContact CE2-CD2 3.78Å; L10-L713 HydrophobicContact CB-CD2 4.27Å; L10-L713 HydrophobicContact CD1-CD2 3.71Å; L10-L713 HydrophobicContact CG-CD2 4.07Å; V631-L713 HydrophobicContact CB-CD1 4.18Å; V631-L713 HydrophobicContact CG1-CD1 3.36Å; A705-L713 CarbonylContact C-O 3.54Å; A705-L713 VanDerWaalsContact CA-O 3.24Å; A705-L713 WeakPolarHBondContact CA-O 3.33Å; A706-L713 PolarHBondContact N-O 3.02Å; A706-L713 PolarHBondContact O-N 3.02Å; L713-Y715 HydrophobicContact CB-CD2 4.39Å; L713-Y715 HydrophobicContact CB-CE2 3.89Å; L713-Y715 HydrophobicContact CD1-CE2 4.4Å |
| 714 | I | 94.5 | Very high | 85.3 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.6 | 176.4 | -56.7 | 179.5 | 0 | 0 | 0 | 108.2 | S8 N9 V11 I374 V388 A703 | S8-I714 WeakPolarHBondContact CB-O 3.43Å; S8-I714 PolarHBondContact N-O 3.33Å; N9-I714 PolarHBondContact N-O 3.38Å; N9-I714 WeakPolarHBondContact O-CB 3.49Å; N9-I714 PolarHBondContact O-N 3.12Å; V11-I714 HydrophobicContact CB-CD1 4.25Å; V11-I714 HydrophobicContact CG2-CD1 3.57Å; V11-I714 HydrophobicContact CG2-CG1 4.4Å; I374-I714 HydrophobicContact CD1-CD1 3.95Å; I374-I714 HydrophobicContact CD1-CG1 4.42Å; V388-I714 HydrophobicContact CG1-CD1 4.25Å; A703-I714 HydrophobicContact CB-CG2 4.44Å |
| 715 | Y | 93.6 | Very high | 84.9 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.3 | 170.9 | -70.1 | -104.6 | 0 | 0 | 0 | 108.7 | R6 F7 F629 R630 A703 W704 L713 | R6-Y715 CarbonylContact O-C 3.52Å; R6-Y715 WeakPolarHBondContact O-CA 3.35Å; F7-Y715 HydrophobicContact CB-CD1 4.29Å; F7-Y715 HydrophobicContact CB-CE1 4.07Å; F629-Y715 HydrophobicContact CD1-CD1 4.24Å; F629-Y715 HydrophobicContact CD1-CE1 4.21Å; R630-Y715 PolarHBondContact O-OH 2.86Å; A703-Y715 CarbonylContact C-O 3.59Å; A703-Y715 WeakPolarHBondContact CA-O 3.36Å; A703-Y715 VanDerWaalsContact CB-O 3.26Å; A703-Y715 WeakPolarHBondContact CB-O 3.33Å; W704-Y715 HydrophobicContact CD2-CD2 4.3Å; W704-Y715 HydrophobicContact CD2-CG 4.35Å; W704-Y715 VanDerWaalsContact CE2-CB 3.42Å; W704-Y715 AromaticContact CE2-CG 3.83Å; W704-Y715 AromaticContact CE3-CD2 3.89Å; W704-Y715 HydrophobicContact CE3-CD2 3.89Å; W704-Y715 HydrophobicContact CE3-CG 4.39Å; W704-Y715 AromaticContact CH2-CD1 3.97Å; W704-Y715 HydrophobicContact CH2-CD1 3.97Å; W704-Y715 AromaticContact CH2-CD2 3.11Å; W704-Y715 HydrophobicContact CH2-CD2 3.11Å; W704-Y715 HydrophobicContact CH2-CE1 4.22Å; W704-Y715 AromaticContact CH2-CE2 3.41Å; W704-Y715 HydrophobicContact CH2-CE2 3.41Å; W704-Y715 VanDerWaalsContact CH2-CE2 3.41Å; W704-Y715 AromaticContact CH2-CG 3.42Å; W704-Y715 HydrophobicContact CH2-CG 3.42Å; W704-Y715 VanDerWaalsContact CH2-CG 3.42Å; W704-Y715 AromaticContact CH2-CZ 3.96Å; W704-Y715 VanDerWaalsContact CZ2-CB 3.49Å; W704-Y715 AromaticContact CZ2-CD1 3.8Å; W704-Y715 HydrophobicContact CZ2-CD1 3.8Å; W704-Y715 AromaticContact CZ2-CD2 3.59Å; W704-Y715 HydrophobicContact CZ2-CD2 3.59Å; W704-Y715 HydrophobicContact CZ2-CE1 4.4Å; W704-Y715 HydrophobicContact CZ2-CE2 4.21Å; W704-Y715 AromaticContact CZ2-CG 3.34Å; W704-Y715 HydrophobicContact CZ2-CG 3.34Å; W704-Y715 AromaticContact CZ3-CD2 3.27Å; W704-Y715 HydrophobicContact CZ3-CD2 3.27Å; W704-Y715 AromaticContact CZ3-CE2 3.68Å; W704-Y715 HydrophobicContact CZ3-CE2 3.68Å; W704-Y715 AromaticContact CZ3-CG 3.95Å; W704-Y715 HydrophobicContact CZ3-CG 3.95Å; W704-Y715 PolarHBondContact N-O 2.8Å; W704-Y715 PolarHBondContact O-N 3Å; L713-Y715 HydrophobicContact CB-CD2 4.39Å; L713-Y715 HydrophobicContact CB-CE2 3.89Å; L713-Y715 HydrophobicContact CD1-CE2 4.4Å |
| 716 | S | 90.8 | Very high | 84.3 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 163.4 | -179.9 | 81.8 | 0 | 0 | 0 | 0 | 111.8 | R6 S8 R702 D718 C719 | R6-S716 PolarHBondContact N-O 3.27Å; R6-S716 PolarHBondContact O-N 3.27Å; S8-S716 WeakPolarHBondContact CB-OG 3.1Å; S8-S716 PolarHBondContact OG-OG 3.15Å; R702-S716 WeakPolarHBondContact O-CA 3.22Å; S716-D718 VanDerWaalsContact C-N 3.32Å; S716-D718 PolarHBondContact OG-N 3.02Å; S716-C719 PolarHBondContact OG-SG 3.15Å |
| 717 | L | 86.5 | Confident | 83.7 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -85.9 | -6.7 | 170.9 | -62.7 | 172.2 | 0 | 0 | 0 | 112.6 | R2 D4 F5 R702 | R2-L717 HydrophobicContact CB-CD1 3.8Å; R2-L717 HydrophobicContact CB-CD2 4.19Å; D4-L717 VanDerWaalsContact C-CD2 3.47Å; F5-L717 HydrophobicContact CD1-CD2 3.85Å; F5-L717 HydrophobicContact CD1-CG 3.8Å; F5-L717 HydrophobicContact CD2-CD2 4.36Å; F5-L717 HydrophobicContact CE1-CD1 4.13Å; F5-L717 HydrophobicContact CE1-CD2 4.07Å; F5-L717 HydrophobicContact CE1-CG 3.72Å; F5-L717 HydrophobicContact CG-CD2 4Å; F5-L717 HydrophobicContact CG-CG 4.46Å; F5-L717 HydrophobicContact CZ-CD1 4.38Å; F5-L717 HydrophobicContact CZ-CD2 4.42Å; F5-L717 HydrophobicContact CZ-CG 4.32Å; R702-L717 PolarHBondContact O-N 2.95Å |
| 718 | D | 73.7 | Confident | 83.3 | Confident | 80 Ų | 80 | 51.8 Ų | 51.8 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -5.8 | -166.9 | -58.9 | -29.6 | 0 | 0 | 0 | 113.2 | R702 S716 | R702-D718 IonicContact CZ-OD1 3.76Å; R702-D718 IonicContact NE-OD1 3.49Å; R702-D718 PolarHBondContact NE-OD1 2.78Å; R702-D718 IonicContact NE-OD2 3.63Å; R702-D718 IonicContact NH2-OD1 2.94Å; R702-D718 PolarHBondContact NH2-OD1 2.77Å; S716-D718 VanDerWaalsContact C-N 3.32Å; S716-D718 PolarHBondContact OG-N 3.02Å |
| 719 | C | 64 | Low | 83.1 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.6 | -170.9 | -57.4 | 0 | 0 | 0 | 0 | 115.5 | R6 S8 S716 | R6-C719 HydrophobicContact CB-CB 4.26Å; S8-C719 WeakPolarHBondContact CA-SG 3.46Å; S8-C719 WeakPolarHBondContact CB-SG 3.49Å; S716-C719 PolarHBondContact OG-SG 3.15Å |
| 720 | R | 63.7 | Low | 83.1 | Confident | 164 Ų | 164 | 63.1 Ų | 63.1 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -140.2 | 138.8 | -174.8 | -72.4 | -171.3 | 179.4 | -175.7 | -0.4 | 112 | T722 | R720-T722 VanDerWaalsContact C-N 3.26Å; R720-T722 HydrophobicContact CB-CG2 4.42Å; R720-T722 PolarHBondContact O-N 3.34Å |
| 721 | L | 63.2 | Low | 83.2 | Confident | 158 Ų | 158 | 68.9 Ų | 68.9 | 83% | 0.827 | 35% | 0.348 | S | S | * | . | trans | -72.6 | 82.5 | 165 | -68 | 163.3 | 0 | 0 | 0 | 108.7 | P759 | L721-P759 HydrophobicContact CD2-CG 3.66Š| ||
| 722 | T | 68.1 | Low | 83.1 | Confident | 67 Ų | 67 | 69.3 Ų | 69.3 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | trans | -81.8 | 125.9 | 166.3 | 52.3 | 0 | 0 | 0 | 0 | 108.7 | R720 D724 | R720-T722 VanDerWaalsContact C-N 3.26Å; R720-T722 HydrophobicContact CB-CG2 4.42Å; R720-T722 PolarHBondContact O-N 3.34Å; T722-D724 PolarHBondContact O-N 2.82Å | ||
| 723 | F | 80.5 | Confident | 83 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 55% | 0.548 | 37% | 0.372 | S | S | . | . | trans | -71.3 | 110.1 | 170.7 | -179.2 | -116.3 | 0 | 0 | 0 | 109.2 | P725 Q758 | F723-P725 HydrophobicContact CE1-CB 4.33Å; F723-P725 HydrophobicContact CE1-CG 3.9Å; F723-P725 HydrophobicContact CE2-CB 4.33Å; F723-P725 HydrophobicContact CZ-CB 3.9Å; F723-P725 HydrophobicContact CZ-CG 3.99Å; F723-Q758 HydrophobicContact CD2-CG 4.3Å; F723-Q758 HydrophobicContact CE2-CG 4.35Å | ||
| 724 | D | 77.9 | Confident | 83 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -132.9 | 79.9 | -175.8 | 176.8 | 32.7 | 0 | 0 | 0 | 108.8 | R2 T722 N757 | R2-D724 IonicContact CZ-OD2 3.85Å; R2-D724 IonicContact NE-OD2 3.26Å; R2-D724 PolarHBondContact NE-OD2 3.3Å; T722-D724 PolarHBondContact O-N 2.82Å; D724-N757 WeakPolarHBondContact O-CB 3.48Å; D724-N757 PolarHBondContact O-ND2 2.83Å | ||
| 725 | P | 86.1 | Confident | 83 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | trans | -70.9 | 154.8 | -174.7 | 32 | -36.5 | 0 | 0 | 0 | 111.2 | F723 L728 K755 | F723-P725 HydrophobicContact CE1-CB 4.33Å; F723-P725 HydrophobicContact CE1-CG 3.9Å; F723-P725 HydrophobicContact CE2-CB 4.33Å; F723-P725 HydrophobicContact CZ-CB 3.9Å; F723-P725 HydrophobicContact CZ-CG 3.99Å; P725-L728 HydrophobicContact CB-CB 4.03Å; P725-L728 HydrophobicContact CB-CD1 4.06Å; P725-L728 HydrophobicContact CB-CD2 4.15Å; P725-L728 HydrophobicContact CB-CG 4.31Å; P725-L728 HydrophobicContact CG-CB 4.4Å; P725-L728 HydrophobicContact CG-CD2 4.17Å; P725-K755 CarbonylContact C-O 3.6Å; P725-K755 WeakPolarHBondContact CA-O 3.21Å | ||
| 726 | Y | 83.5 | Confident | 83 | Confident | 61 Ų | 61 | 82 Ų | 82 | 24% | 0.239 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -117.1 | 114.7 | 178 | -176.9 | -111.7 | 0 | 0 | 0 | 111.1 | L728 K755 V784 Y785 K788 | Y726-L728 PolarHBondContact O-N 2.9Å; Y726-K755 PolarHBondContact N-O 3.25Å; Y726-K755 WeakPolarHBondContact O-CA 3.48Å; Y726-K755 WeakPolarHBondContact O-CB 3.3Å; Y726-K755 WeakPolarHBondContact O-CG 3.28Å; Y726-V784 HydrophobicContact CE1-CG1 4.2Å; Y726-V784 WeakPolarHBondContact OH-CG1 3.27Å; Y726-Y785 HydrophobicContact CD1-CD1 4.26Å; Y726-Y785 AromaticContact CD1-CE1 3.73Å; Y726-Y785 HydrophobicContact CD1-CE1 3.73Å; Y726-Y785 HydrophobicContact CE1-CD1 4.08Å; Y726-Y785 AromaticContact CE1-CE1 3.61Å; Y726-Y785 HydrophobicContact CE1-CE1 3.61Å; Y726-K788 HydrophobicContact CD1-CD 4.07Å; Y726-K788 HydrophobicContact CE1-CD 4.24Å; Y726-K788 HydrophobicContact CG-CD 4.33Å |
| 727 | Q | 84.3 | Confident | 83.2 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 50.3 | 56.9 | -178.3 | -61.6 | -177 | -21.2 | 0 | 0 | 111.9 | K755 Y785 | Q727-K755 WeakPolarHBondContact O-CD 3.45Å; Q727-Y785 PolarHBondContact OE1-OH 3.3Å |
| 728 | L | 87 | Confident | 83.6 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | trans | -72.7 | 131.4 | -178.2 | -163.9 | 68.3 | 0 | 0 | 0 | 111 | P725 Y726 V732 L756 | P725-L728 HydrophobicContact CB-CB 4.03Å; P725-L728 HydrophobicContact CB-CD1 4.06Å; P725-L728 HydrophobicContact CB-CD2 4.15Å; P725-L728 HydrophobicContact CB-CG 4.31Å; P725-L728 HydrophobicContact CG-CB 4.4Å; P725-L728 HydrophobicContact CG-CD2 4.17Å; Y726-L728 PolarHBondContact O-N 2.9Å; L728-V732 HydrophobicContact CD1-CB 3.97Å; L728-V732 HydrophobicContact CD1-CG1 3.77Å; L728-L756 HydrophobicContact CD1-CD2 3.86Å | ||
| 729 | D | 88.8 | Confident | 84.7 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | trans | -112.5 | 164.2 | 170.5 | -60.4 | -52.1 | 0 | 0 | 0 | 109.8 | D731 V732 K755 | D729-D731 PolarHBondContact O-N 3.16Å; D729-V732 HydrophobicContact CB-CG2 3.97Å; D729-V732 WeakPolarHBondContact O-CB 3.16Å; D729-V732 PolarHBondContact O-N 2.59Å; D729-V732 VanDerWaalsContact O-N 3.11Å; D729-K755 IonicContact OD2-NZ 3.9Å; D729-K755 PolarHBondContact OD2-NZ 3.49Å | ||
| 730 | I | 90.4 | Very high | 86.2 | Confident | 161 Ų | 161 | 82 Ų | 82 | 83% | 0.826 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.2 | -178.3 | -57.8 | 173 | 0 | 0 | 0 | 111.5 | V732 | I730-V732 VanDerWaalsContact C-N 3.29Å; I730-V732 PolarHBondContact O-N 2.89Å |
| 731 | D | 89.3 | Confident | 87.6 | Confident | 122 Ų | 122 | 74.9 Ų | 74.9 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.5 | -177.3 | -56.8 | -35.9 | 0 | 0 | 0 | 113.5 | D729 L733 | D729-D731 PolarHBondContact O-N 3.16Å; D731-L733 PolarHBondContact O-N 2.87Å; D731-L733 VanDerWaalsContact O-N 3.14Å |
| 732 | V | 90.3 | Very high | 89.1 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | trans | -87.9 | 88.5 | -175.2 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | L728 D729 I730 K755 L756 | L728-V732 HydrophobicContact CD1-CB 3.97Å; L728-V732 HydrophobicContact CD1-CG1 3.77Å; D729-V732 HydrophobicContact CB-CG2 3.97Å; D729-V732 WeakPolarHBondContact O-CB 3.16Å; D729-V732 PolarHBondContact O-N 2.59Å; D729-V732 VanDerWaalsContact O-N 3.11Å; I730-V732 VanDerWaalsContact C-N 3.29Å; I730-V732 PolarHBondContact O-N 2.89Å; V732-K755 HydrophobicContact CG1-CB 3.87Å; V732-K755 HydrophobicContact CG2-CD 3.85Å; V732-L756 HydrophobicContact CG1-CD1 4.43Å; V732-L756 HydrophobicContact CG1-CD2 3.9Å; V732-L756 HydrophobicContact CG1-CG 3.66Å; V732-L756 WeakPolarHBondContact O-CD2 3.27Å | ||
| 733 | L | 92.5 | Very high | 90.4 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | trans | -123.1 | 149.7 | -178.1 | -70.5 | 149.2 | 0 | 0 | 0 | 110.6 | D731 S735 R736 V737 | D731-L733 PolarHBondContact O-N 2.87Å; D731-L733 VanDerWaalsContact O-N 3.14Å; L733-S735 VanDerWaalsContact C-N 3.26Å; L733-S735 PolarHBondContact O-N 2.59Å; L733-R736 HydrophobicContact CB-CB 4.4Å; L733-R736 WeakPolarHBondContact O-CB 3.42Å; L733-R736 PolarHBondContact O-N 2.96Å; L733-R736 VanDerWaalsContact O-N 3.09Å; L733-V737 PolarHBondContact O-N 2.94Å | ||
| 734 | P | 94.1 | Very high | 91 | Very high | 49 Ų | 49 | 75.1 Ų | 75.1 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.4 | -41.5 | 172.9 | -27.4 | 35.1 | 0 | 0 | 0 | 112.6 | R736 V737 H738 L756 L761 | P734-R736 VanDerWaalsContact C-N 3.29Å; P734-R736 PolarHBondContact O-N 3.37Å; P734-V737 WeakPolarHBondContact O-CB 3.31Å; P734-V737 PolarHBondContact O-N 3.48Å; P734-H738 PolarHBondContact O-N 2.99Å; P734-H738 VanDerWaalsContact O-N 3.17Å; P734-H738 PolarHBondContact O-ND1 3.32Å; P734-L756 HydrophobicContact CG-CD1 4.11Å; P734-L761 HydrophobicContact CB-CD1 3.94Å; P734-L761 HydrophobicContact CG-CD1 4.15Å |
| 735 | S | 94.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 74.8 Ų | 74.8 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 177.5 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | L733 V737 H738 E739 | L733-S735 VanDerWaalsContact C-N 3.26Å; L733-S735 PolarHBondContact O-N 2.59Å; S735-V737 PolarHBondContact O-N 2.89Å; S735-H738 PolarHBondContact O-N 2.93Å; S735-E739 WeakPolarHBondContact O-CG 3.47Å; S735-E739 PolarHBondContact O-N 3.06Å |
| 736 | R | 94.1 | Very high | 92.2 | Very high | 80 Ų | 80 | 73.3 Ų | 73.3 | 30% | 0.302 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 178.9 | -173.1 | 60.9 | -177.6 | 160.3 | 5.8 | 112.2 | L733 P734 H738 E739 L740 M752 | L733-R736 HydrophobicContact CB-CB 4.4Å; L733-R736 WeakPolarHBondContact O-CB 3.42Å; L733-R736 PolarHBondContact O-N 2.96Å; L733-R736 VanDerWaalsContact O-N 3.09Å; P734-R736 VanDerWaalsContact C-N 3.29Å; P734-R736 PolarHBondContact O-N 3.37Å; R736-H738 VanDerWaalsContact C-N 3.32Å; R736-H738 PolarHBondContact O-N 2.93Å; R736-E739 VanDerWaalsContact CD-OE2 3.29Å; R736-E739 WeakPolarHBondContact CD-OE2 3.21Å; R736-E739 IonicContact CZ-OE2 2.74Å; R736-E739 IonicContact NE-OE2 3.69Å; R736-E739 IonicContact NH1-OE2 2.96Å; R736-E739 PolarHBondContact NH1-OE2 3.23Å; R736-E739 WeakPolarHBondContact O-CB 3.46Å; R736-E739 PolarHBondContact O-N 2.66Å; R736-L740 WeakPolarHBondContact O-CG 3.42Å; R736-L740 PolarHBondContact O-N 2.91Å; R736-M752 HydrophobicContact CB-SD 4.37Å; R736-M752 HydrophobicContact CG-CE 4.09Å; R736-M752 HydrophobicContact CG-SD 3.7Å |
| 737 | V | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 172.8 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | L733 P734 S735 E739 L740 L741 M752 A753 L756 C765 | L733-V737 PolarHBondContact O-N 2.94Å; P734-V737 WeakPolarHBondContact O-CB 3.31Å; P734-V737 PolarHBondContact O-N 3.48Å; S735-V737 PolarHBondContact O-N 2.89Å; V737-E739 PolarHBondContact O-N 2.98Å; V737-L740 PolarHBondContact O-N 2.93Å; V737-L741 HydrophobicContact CG1-CD1 4.12Å; V737-L741 VanDerWaalsContact O-CG 3.3Å; V737-L741 WeakPolarHBondContact O-CG 3.42Å; V737-L741 PolarHBondContact O-N 2.95Å; V737-M752 HydrophobicContact CG2-CB 3.74Å; V737-A753 HydrophobicContact CG1-CB 4.42Å; V737-L756 HydrophobicContact CG2-CD1 3.94Å; V737-C765 WeakPolarHBondContact CG1-SG 3.5Å |
| 738 | H | 95.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 177 | -63.9 | 90.1 | 0 | 0 | 0 | 112.4 | P734 S735 R736 L741 S742 E764 | P734-H738 PolarHBondContact O-N 2.99Å; P734-H738 VanDerWaalsContact O-N 3.17Å; P734-H738 PolarHBondContact O-ND1 3.32Å; S735-H738 PolarHBondContact O-N 2.93Å; R736-H738 VanDerWaalsContact C-N 3.32Å; R736-H738 PolarHBondContact O-N 2.93Å; H738-L741 PolarHBondContact O-N 2.06Å; H738-S742 PolarHBondContact O-N 2.84Å; H738-E764 IonicContact CD2-OE1 2.78Å; H738-E764 PolarHBondContact CD2-OE1 3.15Å; H738-E764 IonicContact NE2-OE1 3.25Å; H738-E764 IonicContact NE2-OE2 3Å; H738-E764 PolarHBondContact NE2-OE2 3.05Å |
| 739 | E | 95.5 | Very high | 93.5 | Very high | 87 Ų | 87 | 65.7 Ų | 65.7 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 173.3 | -71.5 | 170.9 | -164.6 | 0 | 0 | 111.4 | S735 R736 V737 L741 S742 Q743 | S735-E739 WeakPolarHBondContact O-CG 3.47Å; S735-E739 PolarHBondContact O-N 3.06Å; R736-E739 VanDerWaalsContact CD-OE2 3.29Å; R736-E739 WeakPolarHBondContact CD-OE2 3.21Å; R736-E739 IonicContact CZ-OE2 2.74Å; R736-E739 IonicContact NE-OE2 3.69Å; R736-E739 IonicContact NH1-OE2 2.96Å; R736-E739 PolarHBondContact NH1-OE2 3.23Å; R736-E739 WeakPolarHBondContact O-CB 3.46Å; R736-E739 PolarHBondContact O-N 2.66Å; V737-E739 PolarHBondContact O-N 2.98Å; E739-L741 PolarHBondContact O-N 3.02Å; E739-S742 WeakPolarHBondContact O-CB 3.33Å; E739-S742 PolarHBondContact O-N 3.5Å; E739-S742 VanDerWaalsContact O-N 3.11Å; E739-S742 PolarHBondContact O-OG 2.92Å; E739-Q743 WeakPolarHBondContact O-CG 3.32Å; E739-Q743 PolarHBondContact O-N 3.16Å |
| 740 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 178.5 | -69.8 | 172.3 | 0 | 0 | 0 | 112.4 | R736 V737 S742 Q743 Q744 D745 E748 A749 M752 | R736-L740 WeakPolarHBondContact O-CG 3.42Å; R736-L740 PolarHBondContact O-N 2.91Å; V737-L740 PolarHBondContact O-N 2.93Å; L740-S742 VanDerWaalsContact C-N 3.28Å; L740-S742 PolarHBondContact O-N 2.8Å; L740-Q743 CarbonylContact O-C 3.59Å; L740-Q743 PolarHBondContact O-N 2.93Å; L740-Q743 VanDerWaalsContact O-N 3.11Å; L740-Q744 PolarHBondContact O-N 2.93Å; L740-Q744 VanDerWaalsContact O-N 3.1Å; L740-D745 HydrophobicContact CD2-CB 4.43Å; L740-D745 PolarHBondContact O-N 3.33Å; L740-E748 HydrophobicContact CD1-CB 3.99Å; L740-E748 HydrophobicContact CD1-CG 3.74Å; L740-E748 WeakPolarHBondContact CD2-OE2 3.47Å; L740-A749 HydrophobicContact CB-CB 3.85Å; L740-M752 HydrophobicContact CD1-CE 3.75Å; L740-M752 HydrophobicContact CD1-CG 4.3Å; L740-M752 HydrophobicContact CD1-SD 3.46Å; L740-M752 WeakPolarHBondContact CD1-SD 3.18Å |
| 741 | L | 94.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 172.9 | -70.9 | 169.7 | 0 | 0 | 0 | 112 | V737 H738 E739 Q743 Q744 F746 A749 E764 C765 K768 | V737-L741 HydrophobicContact CG1-CD1 4.12Å; V737-L741 VanDerWaalsContact O-CG 3.3Å; V737-L741 WeakPolarHBondContact O-CG 3.42Å; V737-L741 PolarHBondContact O-N 2.95Å; H738-L741 PolarHBondContact O-N 2.06Å; E739-L741 PolarHBondContact O-N 3.02Å; L741-Q743 VanDerWaalsContact C-N 3.31Å; L741-Q744 PolarHBondContact O-N 2.82Å; L741-F746 HydrophobicContact CD2-CD1 4.08Å; L741-F746 HydrophobicContact CD2-CE1 4.43Å; L741-A749 HydrophobicContact CD2-CB 3.85Å; L741-A749 HydrophobicContact CG-CB 3.94Å; L741-E764 HydrophobicContact CD1-CG 4.42Å; L741-C765 HydrophobicContact CD2-CB 4.42Å; L741-K768 HydrophobicContact CB-CD 4.41Å; L741-K768 HydrophobicContact CD1-CD 4.02Å; L741-K768 HydrophobicContact CD2-CB 4.27Å; L741-K768 HydrophobicContact CD2-CD 4.39Å |
| 742 | S | 94.4 | Very high | 94.1 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 65% | 0.65 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.1 | -30.6 | 174.2 | 79.6 | 0 | 0 | 0 | 0 | 112.8 | H738 E739 L740 Q744 | H738-S742 PolarHBondContact O-N 2.84Å; E739-S742 WeakPolarHBondContact O-CB 3.33Å; E739-S742 PolarHBondContact O-N 3.5Å; E739-S742 VanDerWaalsContact O-N 3.11Å; E739-S742 PolarHBondContact O-OG 2.92Å; L740-S742 VanDerWaalsContact C-N 3.28Å; L740-S742 PolarHBondContact O-N 2.8Å; S742-Q744 VanDerWaalsContact C-N 3.27Å; S742-Q744 PolarHBondContact O-N 2.52Å |
| 743 | Q | 94.8 | Very high | 94.2 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.2 | 176 | -68 | 172.6 | 6.6 | 0 | 0 | 113.3 | E739 L740 L741 D745 | E739-Q743 WeakPolarHBondContact O-CG 3.32Å; E739-Q743 PolarHBondContact O-N 3.16Å; L740-Q743 CarbonylContact O-C 3.59Å; L740-Q743 PolarHBondContact O-N 2.93Å; L740-Q743 VanDerWaalsContact O-N 3.11Å; L741-Q743 VanDerWaalsContact C-N 3.31Å; Q743-D745 PolarHBondContact O-N 2.96Å |
| 744 | Q | 92.6 | Very high | 94.2 | Very high | 142 Ų | 142 | 46.6 Ų | 46.6 | 66% | 0.664 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 23.7 | -174.7 | -55.2 | -176.9 | -17.3 | 0 | 0 | 114.3 | L740 L741 S742 F746 | L740-Q744 PolarHBondContact O-N 2.93Å; L740-Q744 VanDerWaalsContact O-N 3.1Å; L741-Q744 PolarHBondContact O-N 2.82Å; S742-Q744 VanDerWaalsContact C-N 3.27Å; S742-Q744 PolarHBondContact O-N 2.52Å; Q744-F746 HydrophobicContact CB-CE2 3.92Å; Q744-F746 HydrophobicContact CB-CZ 4.05Å; Q744-F746 HydrophobicContact CG-CZ 4.3Å; Q744-F746 VanDerWaalsContact O-CD2 3.32Å; Q744-F746 WeakPolarHBondContact O-CD2 3.5Å; Q744-F746 WeakPolarHBondContact O-CE2 3.29Å; Q744-F746 PolarHBondContact O-N 2.6Å |
| 745 | D | 94.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | trans | -89.6 | 83.8 | 167.3 | -162.9 | -26.4 | 0 | 0 | 0 | 110.4 | L740 Q743 S747 E748 A749 | L740-D745 HydrophobicContact CD2-CB 4.43Å; L740-D745 PolarHBondContact O-N 3.33Å; Q743-D745 PolarHBondContact O-N 2.96Å; D745-S747 VanDerWaalsContact C-N 3.3Å; D745-S747 PolarHBondContact O-N 2.87Å; D745-S747 PolarHBondContact OD1-N 2.94Å; D745-S747 PolarHBondContact OD1-OG 3.38Å; D745-E748 PolarHBondContact OD1-N 3.08Å; D745-E748 VanDerWaalsContact OD1-N 3.15Å; D745-A749 WeakPolarHBondContact O-CB 3.38Å; D745-A749 PolarHBondContact O-N 2.73Å | ||
| 746 | F | 95 | Very high | 94 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.6 | -27 | -177.6 | -58 | -68.4 | 0 | 0 | 0 | 113.3 | L741 Q744 L750 K768 T769 P770 V777 | L741-F746 HydrophobicContact CD2-CD1 4.08Å; L741-F746 HydrophobicContact CD2-CE1 4.43Å; Q744-F746 HydrophobicContact CB-CE2 3.92Å; Q744-F746 HydrophobicContact CB-CZ 4.05Å; Q744-F746 HydrophobicContact CG-CZ 4.3Å; Q744-F746 VanDerWaalsContact O-CD2 3.32Å; Q744-F746 WeakPolarHBondContact O-CD2 3.5Å; Q744-F746 WeakPolarHBondContact O-CE2 3.29Å; Q744-F746 PolarHBondContact O-N 2.6Å; F746-L750 VanDerWaalsContact O-CB 3.25Å; F746-L750 WeakPolarHBondContact O-CB 3.32Å; F746-L750 PolarHBondContact O-N 3.15Å; F746-K768 WeakPolarHBondContact CE1-O 3.29Å; F746-T769 HydrophobicContact CB-CG2 3.68Å; F746-T769 HydrophobicContact CD1-CG2 3.77Å; F746-T769 HydrophobicContact CG-CG2 3.85Å; F746-P770 HydrophobicContact CE2-CG 4.15Å; F746-P770 HydrophobicContact CZ-CG 4.21Å; F746-V777 HydrophobicContact CB-CG2 3.95Å |
| 747 | S | 94.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73 | -48.6 | -176 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | D745 L750 M751 | D745-S747 VanDerWaalsContact C-N 3.3Å; D745-S747 PolarHBondContact O-N 2.87Å; D745-S747 PolarHBondContact OD1-N 2.94Å; D745-S747 PolarHBondContact OD1-OG 3.38Å; S747-L750 PolarHBondContact O-N 2.98Å; S747-M751 WeakPolarHBondContact O-CG 3.15Å; S747-M751 PolarHBondContact O-N 2.73Å; S747-M751 VanDerWaalsContact O-N 3.08Å |
| 748 | E | 93.2 | Very high | 93.3 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69 | -41 | 177.2 | -164.2 | -175.3 | 177.2 | 0 | 0 | 111 | L740 D745 L750 M751 M752 | L740-E748 HydrophobicContact CD1-CB 3.99Å; L740-E748 HydrophobicContact CD1-CG 3.74Å; L740-E748 WeakPolarHBondContact CD2-OE2 3.47Å; D745-E748 PolarHBondContact OD1-N 3.08Å; D745-E748 VanDerWaalsContact OD1-N 3.15Å; E748-L750 VanDerWaalsContact C-N 3.34Å; E748-L750 PolarHBondContact O-N 3.08Å; E748-M751 HydrophobicContact CB-CE 4.41Å; E748-M751 PolarHBondContact O-N 3.04Å; E748-M752 HydrophobicContact CG-CE 4.06Å; E748-M752 WeakPolarHBondContact O-CG 3.36Å; E748-M752 PolarHBondContact O-N 3.3Å; E748-M752 VanDerWaalsContact OE1-CE 3.24Å; E748-M752 WeakPolarHBondContact OE1-CE 3.32Å |
| 749 | A | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L740 L741 D745 M752 A753 | L740-A749 HydrophobicContact CB-CB 3.85Å; L741-A749 HydrophobicContact CD2-CB 3.85Å; L741-A749 HydrophobicContact CG-CB 3.94Å; D745-A749 WeakPolarHBondContact O-CB 3.38Å; D745-A749 PolarHBondContact O-N 2.73Å; A749-M752 PolarHBondContact O-N 3.39Å; A749-A753 WeakPolarHBondContact O-CB 3.25Å; A749-A753 PolarHBondContact O-N 3.32Å |
| 750 | L | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 179 | -174 | 64.4 | 0 | 0 | 0 | 111.6 | F746 S747 E748 A753 V754 C765 M766 V777 L781 V789 W810 | F746-L750 VanDerWaalsContact O-CB 3.25Å; F746-L750 WeakPolarHBondContact O-CB 3.32Å; F746-L750 PolarHBondContact O-N 3.15Å; S747-L750 PolarHBondContact O-N 2.98Å; E748-L750 VanDerWaalsContact C-N 3.34Å; E748-L750 PolarHBondContact O-N 3.08Å; L750-A753 PolarHBondContact O-N 3.48Å; L750-V754 VanDerWaalsContact O-CG2 3.24Å; L750-V754 WeakPolarHBondContact O-CG2 3.37Å; L750-V754 PolarHBondContact O-N 2.9Å; L750-C765 HydrophobicContact CD1-CB 4.06Å; L750-M766 HydrophobicContact CD1-CG 4.02Å; L750-V777 HydrophobicContact CD2-CG1 3.81Å; L750-L781 HydrophobicContact CD2-CD1 3.86Å; L750-L781 HydrophobicContact CD2-CD2 4.2Å; L750-L781 HydrophobicContact CD2-CG 4.49Å; L750-L781 HydrophobicContact CG-CD2 4.49Å; L750-V789 HydrophobicContact CD2-CG2 4.47Å; L750-W810 HydrophobicContact CD2-CH2 3.82Å; L750-W810 HydrophobicContact CD2-CZ3 4.03Å |
| 751 | M | 93.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 174.8 | -73.2 | -173.5 | -68 | 0 | 0 | 111.9 | S747 E748 V754 K755 L781 P782 Y785 | S747-M751 WeakPolarHBondContact O-CG 3.15Å; S747-M751 PolarHBondContact O-N 2.73Å; S747-M751 VanDerWaalsContact O-N 3.08Å; E748-M751 HydrophobicContact CB-CE 4.41Å; E748-M751 PolarHBondContact O-N 3.04Å; M751-V754 PolarHBondContact O-N 3.48Å; M751-K755 WeakPolarHBondContact O-CG 3.28Å; M751-K755 PolarHBondContact O-N 2.98Å; M751-L781 HydrophobicContact CG-CD2 3.77Å; M751-P782 HydrophobicContact SD-CG 4.43Å; M751-Y785 HydrophobicContact CG-CD2 4.43Å |
| 752 | M | 93 | Very high | 92.3 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.9 | -71.7 | -166.2 | -176.5 | 0 | 0 | 112.2 | R736 V737 L740 E748 A749 V754 K755 L756 | R736-M752 HydrophobicContact CB-SD 4.37Å; R736-M752 HydrophobicContact CG-CE 4.09Å; R736-M752 HydrophobicContact CG-SD 3.7Å; V737-M752 HydrophobicContact CG2-CB 3.74Å; L740-M752 HydrophobicContact CD1-CE 3.75Å; L740-M752 HydrophobicContact CD1-CG 4.3Å; L740-M752 HydrophobicContact CD1-SD 3.46Å; L740-M752 WeakPolarHBondContact CD1-SD 3.18Å; E748-M752 HydrophobicContact CG-CE 4.06Å; E748-M752 WeakPolarHBondContact O-CG 3.36Å; E748-M752 PolarHBondContact O-N 3.3Å; E748-M752 VanDerWaalsContact OE1-CE 3.24Å; E748-M752 WeakPolarHBondContact OE1-CE 3.32Å; A749-M752 PolarHBondContact O-N 3.39Å; M752-V754 VanDerWaalsContact C-N 3.35Å; M752-V754 PolarHBondContact O-N 3.49Å; M752-K755 WeakPolarHBondContact O-CB 3.43Å; M752-K755 PolarHBondContact O-N 3.3Å; M752-L756 PolarHBondContact O-N 2.87Å |
| 753 | A | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V737 A749 L750 K755 L756 N757 L761 M762 C765 | V737-A753 HydrophobicContact CG1-CB 4.42Å; A749-A753 WeakPolarHBondContact O-CB 3.25Å; A749-A753 PolarHBondContact O-N 3.32Å; L750-A753 PolarHBondContact O-N 3.48Å; A753-K755 VanDerWaalsContact C-N 3.35Å; A753-L756 PolarHBondContact O-N 2.99Å; A753-N757 PolarHBondContact O-N 2.5Å; A753-L761 HydrophobicContact CB-CB 4.41Å; A753-M762 HydrophobicContact CB-CG 4.07Å; A753-C765 HydrophobicContact CB-CB 4.45Å |
| 754 | V | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -34.1 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L750 M751 M752 N757 M762 Y785 K788 V789 | L750-V754 VanDerWaalsContact O-CG2 3.24Å; L750-V754 WeakPolarHBondContact O-CG2 3.37Å; L750-V754 PolarHBondContact O-N 2.9Å; M751-V754 PolarHBondContact O-N 3.48Å; M752-V754 VanDerWaalsContact C-N 3.35Å; M752-V754 PolarHBondContact O-N 3.49Å; V754-N757 WeakPolarHBondContact O-CB 3.4Å; V754-N757 PolarHBondContact O-N 2.57Å; V754-M762 HydrophobicContact CG2-SD 4.1Å; V754-Y785 HydrophobicContact CB-CD1 4.38Å; V754-Y785 HydrophobicContact CG1-CD1 3.64Å; V754-Y785 HydrophobicContact CG1-CE1 4.42Å; V754-Y785 HydrophobicContact CG1-CG 4.42Å; V754-K788 HydrophobicContact CG1-CB 4.03Å; V754-K788 HydrophobicContact CG1-CD 3.94Å; V754-V789 HydrophobicContact CG2-CG2 3.63Å |
| 755 | K | 93.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 17% | 0.17 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 172.2 | -74.4 | -175.9 | 172.2 | -169.8 | 0 | 112.4 | P725 Y726 Q727 D729 V732 M751 M752 A753 N757 Y785 | P725-K755 CarbonylContact C-O 3.6Å; P725-K755 WeakPolarHBondContact CA-O 3.21Å; Y726-K755 PolarHBondContact N-O 3.25Å; Y726-K755 WeakPolarHBondContact O-CA 3.48Å; Y726-K755 WeakPolarHBondContact O-CB 3.3Å; Y726-K755 WeakPolarHBondContact O-CG 3.28Å; Q727-K755 WeakPolarHBondContact O-CD 3.45Å; D729-K755 IonicContact OD2-NZ 3.9Å; D729-K755 PolarHBondContact OD2-NZ 3.49Å; V732-K755 HydrophobicContact CG1-CB 3.87Å; V732-K755 HydrophobicContact CG2-CD 3.85Å; M751-K755 WeakPolarHBondContact O-CG 3.28Å; M751-K755 PolarHBondContact O-N 2.98Å; M752-K755 WeakPolarHBondContact O-CB 3.43Å; M752-K755 PolarHBondContact O-N 3.3Å; A753-K755 VanDerWaalsContact C-N 3.35Å; K755-N757 PolarHBondContact O-N 3.41Å; K755-Y785 WeakPolarHBondContact CE-OH 3.32Å; K755-Y785 HydrophobicContact CG-CE1 4.29Å |
| 756 | L | 91.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.6 | -30.5 | 171.9 | -73.8 | 171.4 | 0 | 0 | 0 | 112.2 | L728 V732 P734 V737 M752 A753 Q758 L761 | L728-L756 HydrophobicContact CD1-CD2 3.86Å; V732-L756 HydrophobicContact CG1-CD1 4.43Å; V732-L756 HydrophobicContact CG1-CD2 3.9Å; V732-L756 HydrophobicContact CG1-CG 3.66Å; V732-L756 WeakPolarHBondContact O-CD2 3.27Å; P734-L756 HydrophobicContact CG-CD1 4.11Å; V737-L756 HydrophobicContact CG2-CD1 3.94Å; M752-L756 PolarHBondContact O-N 2.87Å; A753-L756 PolarHBondContact O-N 2.99Å; L756-Q758 VanDerWaalsContact C-N 3.26Å; L756-Q758 HydrophobicContact CB-CG 4.46Å; L756-Q758 PolarHBondContact O-N 3.08Å; L756-L761 HydrophobicContact CD1-CD1 3.69Å |
| 757 | N | 88.7 | Confident | 92 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 42.7 | 179.4 | -178.5 | 51.2 | 0 | 0 | 0 | 112.4 | R2 D724 A753 V754 K755 | R2-N757 VanDerWaalsContact NH2-CG 3.3Å; R2-N757 PolarHBondContact NH2-ND2 2.85Å; R2-N757 PolarHBondContact NH2-OD1 3.18Å; R2-N757 VanDerWaalsContact NH2-OD1 3.09Å; D724-N757 WeakPolarHBondContact O-CB 3.48Å; D724-N757 PolarHBondContact O-ND2 2.83Å; A753-N757 PolarHBondContact O-N 2.5Å; V754-N757 WeakPolarHBondContact O-CB 3.4Å; V754-N757 PolarHBondContact O-N 2.57Å; K755-N757 PolarHBondContact O-N 3.41Å |
| 758 | Q | 87 | Confident | 92 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | trans | -101.8 | 124 | 172.7 | -67.9 | -174.5 | -5.6 | 0 | 0 | 109.5 | F723 L756 S760 L761 M762 | F723-Q758 HydrophobicContact CD2-CG 4.3Å; F723-Q758 HydrophobicContact CE2-CG 4.35Å; L756-Q758 VanDerWaalsContact C-N 3.26Å; L756-Q758 HydrophobicContact CB-CG 4.46Å; L756-Q758 PolarHBondContact O-N 3.08Å; Q758-S760 VanDerWaalsContact C-N 3.35Å; Q758-S760 PolarHBondContact O-N 3.14Å; Q758-L761 HydrophobicContact CB-CB 4.34Å; Q758-L761 HydrophobicContact CB-CD1 4.14Å; Q758-L761 HydrophobicContact CB-CG 4.31Å; Q758-L761 PolarHBondContact O-N 3.48Å; Q758-L761 VanDerWaalsContact OE1-CD1 3.24Å; Q758-M762 WeakPolarHBondContact O-CG 3.48Å; Q758-M762 PolarHBondContact O-N 3.24Å | ||
| 759 | P | 86.9 | Confident | 92 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 25% | 0.247 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | -172.5 | 25.9 | -35 | 0 | 0 | 0 | 112.9 | L721 M762 I763 F792 | L721-P759 HydrophobicContact CD2-CG 3.66Å; P759-M762 PolarHBondContact O-N 3.4Å; P759-I763 WeakPolarHBondContact O-CG1 3.44Å; P759-I763 PolarHBondContact O-N 2.87Å; P759-F792 HydrophobicContact CB-CE2 3.57Å; P759-F792 HydrophobicContact CB-CZ 3.93Å; P759-F792 WeakPolarHBondContact O-CZ 3.38Å |
| 760 | S | 89.2 | Confident | 92.1 | Very high | 77 Ų | 77 | 32.3 Ų | 32.3 | 54% | 0.538 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 177.1 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | Q758 I763 E764 | Q758-S760 VanDerWaalsContact C-N 3.35Å; Q758-S760 PolarHBondContact O-N 3.14Å; S760-I763 PolarHBondContact O-N 3.48Å; S760-E764 WeakPolarHBondContact O-CB 3.39Å; S760-E764 PolarHBondContact O-N 2.88Å |
| 761 | L | 91.2 | Very high | 92 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 177.4 | -68.6 | 177.1 | 0 | 0 | 0 | 111.8 | P734 A753 L756 Q758 E764 C765 | P734-L761 HydrophobicContact CB-CD1 3.94Å; P734-L761 HydrophobicContact CG-CD1 4.15Å; A753-L761 HydrophobicContact CB-CB 4.41Å; L756-L761 HydrophobicContact CD1-CD1 3.69Å; Q758-L761 HydrophobicContact CB-CB 4.34Å; Q758-L761 HydrophobicContact CB-CD1 4.14Å; Q758-L761 HydrophobicContact CB-CG 4.31Å; Q758-L761 PolarHBondContact O-N 3.48Å; Q758-L761 VanDerWaalsContact OE1-CD1 3.24Å; L761-E764 PolarHBondContact O-N 3.2Å; L761-C765 WeakPolarHBondContact O-CB 3.43Å; L761-C765 PolarHBondContact O-N 2.76Å; L761-C765 PolarHBondContact O-SG 2.9Å |
| 762 | M | 92 | Very high | 92 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.7 | -71.1 | -171.2 | -67.8 | 0 | 0 | 112.2 | A753 V754 Q758 P759 M766 F792 | A753-M762 HydrophobicContact CB-CG 4.07Å; V754-M762 HydrophobicContact CG2-SD 4.1Å; Q758-M762 WeakPolarHBondContact O-CG 3.48Å; Q758-M762 PolarHBondContact O-N 3.24Å; P759-M762 PolarHBondContact O-N 3.4Å; M762-M766 WeakPolarHBondContact O-CB 3.12Å; M762-M766 WeakPolarHBondContact O-CG 3.45Å; M762-M766 PolarHBondContact O-N 3.43Å; M762-F792 HydrophobicContact CB-CD1 3.89Å; M762-F792 HydrophobicContact CB-CE1 3.46Å; M762-F792 VanDerWaalsContact CB-CE1 3.46Å; M762-F792 HydrophobicContact CB-CZ 3.87Å; M762-F792 HydrophobicContact CE-CB 4.44Å; M762-F792 HydrophobicContact CE-CD1 4.15Å; M762-F792 HydrophobicContact CE-CD2 3.42Å; M762-F792 VanDerWaalsContact CE-CD2 3.42Å; M762-F792 HydrophobicContact CE-CE1 4.28Å; M762-F792 HydrophobicContact CE-CE2 3.61Å; M762-F792 HydrophobicContact CE-CG 3.72Å; M762-F792 HydrophobicContact CE-CZ 4.02Å; M762-F792 HydrophobicContact SD-CD1 4.23Å; M762-F792 HydrophobicContact SD-CD2 4.42Å; M762-F792 HydrophobicContact SD-CG 4.12Å |
| 763 | I | 91.9 | Very high | 92 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 172.9 | -72.7 | 159.2 | 0 | 0 | 0 | 109.9 | P759 S760 C765 M766 E767 F792 P797 | P759-I763 WeakPolarHBondContact O-CG1 3.44Å; P759-I763 PolarHBondContact O-N 2.87Å; S760-I763 PolarHBondContact O-N 3.48Å; I763-C765 PolarHBondContact O-N 3.48Å; I763-M766 PolarHBondContact O-N 3.46Å; I763-E767 HydrophobicContact CG2-CG 4.14Å; I763-E767 WeakPolarHBondContact O-CB 3.48Å; I763-E767 WeakPolarHBondContact O-CG 3.11Å; I763-E767 PolarHBondContact O-N 3.39Å; I763-F792 HydrophobicContact CD1-CZ 4.09Å; I763-F792 HydrophobicContact CG1-CE1 3.93Å; I763-F792 HydrophobicContact CG1-CZ 3.72Å; I763-P797 HydrophobicContact CG1-CG 4.27Å |
| 764 | E | 92.9 | Very high | 92.1 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | -179.7 | -174.8 | -178.1 | 171 | 0 | 0 | 112.1 | H738 L741 S760 L761 K768 | H738-E764 IonicContact CD2-OE1 2.78Å; H738-E764 PolarHBondContact CD2-OE1 3.15Å; H738-E764 IonicContact NE2-OE1 3.25Å; H738-E764 IonicContact NE2-OE2 3Å; H738-E764 PolarHBondContact NE2-OE2 3.05Å; L741-E764 HydrophobicContact CD1-CG 4.42Å; S760-E764 WeakPolarHBondContact O-CB 3.39Å; S760-E764 PolarHBondContact O-N 2.88Å; L761-E764 PolarHBondContact O-N 3.2Å; E764-K768 HydrophobicContact CG-CD 4.01Å; E764-K768 VanDerWaalsContact O-CB 3.3Å; E764-K768 WeakPolarHBondContact O-CB 3.49Å; E764-K768 WeakPolarHBondContact O-CG 3.33Å; E764-K768 PolarHBondContact O-N 3.39Å; E764-K768 WeakPolarHBondContact OE1-CE 3.29Å; E764-K768 IonicContact OE1-NZ 3.02Å; E764-K768 PolarHBondContact OE1-NZ 2.87Å |
| 765 | C | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.6 | -73 | 0 | 0 | 0 | 0 | 111.5 | V737 L741 L750 A753 L761 I763 T769 | V737-C765 WeakPolarHBondContact CG1-SG 3.5Å; L741-C765 HydrophobicContact CD2-CB 4.42Å; L750-C765 HydrophobicContact CD1-CB 4.06Å; A753-C765 HydrophobicContact CB-CB 4.45Å; L761-C765 WeakPolarHBondContact O-CB 3.43Å; L761-C765 PolarHBondContact O-N 2.76Å; L761-C765 PolarHBondContact O-SG 2.9Å; I763-C765 PolarHBondContact O-N 3.48Å; C765-T769 WeakPolarHBondContact O-CG2 3.37Å; C765-T769 PolarHBondContact O-N 3.01Å |
| 766 | M | 93.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -49.5 | -179.9 | -75.1 | -167.4 | -67.2 | 0 | 0 | 111.9 | L750 M762 I763 K768 T769 V789 F792 I793 F806 Y807 W810 | L750-M766 HydrophobicContact CD1-CG 4.02Å; M762-M766 WeakPolarHBondContact O-CB 3.12Å; M762-M766 WeakPolarHBondContact O-CG 3.45Å; M762-M766 PolarHBondContact O-N 3.43Å; I763-M766 PolarHBondContact O-N 3.46Å; M766-K768 VanDerWaalsContact C-N 3.29Å; M766-K768 PolarHBondContact O-N 3.05Å; M766-T769 WeakPolarHBondContact O-CB 3.49Å; M766-T769 PolarHBondContact O-N 3.39Å; M766-T769 VanDerWaalsContact O-N 3.07Å; M766-T769 PolarHBondContact O-OG1 2.84Å; M766-V789 HydrophobicContact SD-CG1 4.3Å; M766-F792 HydrophobicContact CE-CD1 3.46Å; M766-F792 VanDerWaalsContact CE-CD1 3.46Å; M766-F792 HydrophobicContact CE-CE1 3.34Å; M766-I793 HydrophobicContact CE-CG1 4.3Å; M766-I793 HydrophobicContact SD-CD1 4.27Å; M766-I793 HydrophobicContact SD-CG1 3.97Å; M766-F806 WeakPolarHBondContact O-CE1 3.19Å; M766-F806 WeakPolarHBondContact O-CZ 3.34Å; M766-Y807 HydrophobicContact CE-CE1 3.9Å; M766-Y807 HydrophobicContact SD-CE1 4.39Å; M766-W810 HydrophobicContact CB-CZ2 4.34Å; M766-W810 HydrophobicContact CG-CZ2 4.09Å |
| 767 | E | 92.9 | Very high | 92.4 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.2 | -25.2 | -176.5 | -68.6 | -176 | 170.7 | 0 | 0 | 113.2 | I763 T769 H803 Y807 | I763-E767 HydrophobicContact CG2-CG 4.14Å; I763-E767 WeakPolarHBondContact O-CB 3.48Å; I763-E767 WeakPolarHBondContact O-CG 3.11Å; I763-E767 PolarHBondContact O-N 3.39Å; E767-T769 VanDerWaalsContact C-N 3.35Å; E767-H803 IonicContact OE1-CD2 2.8Å; E767-Y807 WeakPolarHBondContact CG-OH 3.04Å; E767-Y807 PolarHBondContact OE1-OH 3.12Å |
| 768 | K | 93.9 | Very high | 92.7 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -77.5 | -17.4 | 171.3 | -77 | 179 | 173.9 | 175.2 | 0 | 113.8 | L741 F746 E764 M766 P770 | L741-K768 HydrophobicContact CB-CD 4.41Å; L741-K768 HydrophobicContact CD1-CD 4.02Å; L741-K768 HydrophobicContact CD2-CB 4.27Å; L741-K768 HydrophobicContact CD2-CD 4.39Å; F746-K768 WeakPolarHBondContact CE1-O 3.29Å; E764-K768 HydrophobicContact CG-CD 4.01Å; E764-K768 VanDerWaalsContact O-CB 3.3Å; E764-K768 WeakPolarHBondContact O-CB 3.49Å; E764-K768 WeakPolarHBondContact O-CG 3.33Å; E764-K768 PolarHBondContact O-N 3.39Å; E764-K768 WeakPolarHBondContact OE1-CE 3.29Å; E764-K768 IonicContact OE1-NZ 3.02Å; E764-K768 PolarHBondContact OE1-NZ 2.87Å; M766-K768 VanDerWaalsContact C-N 3.29Å; M766-K768 PolarHBondContact O-N 3.05Å; K768-P770 WeakPolarHBondContact O-CD 2.99Å |
| 769 | T | 94.2 | Very high | 93 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -70.5 | 129.9 | 176.1 | 68 | 0 | 0 | 0 | 0 | 111 | F746 C765 M766 E767 W810 | F746-T769 HydrophobicContact CB-CG2 3.68Å; F746-T769 HydrophobicContact CD1-CG2 3.77Å; F746-T769 HydrophobicContact CG-CG2 3.85Å; C765-T769 WeakPolarHBondContact O-CG2 3.37Å; C765-T769 PolarHBondContact O-N 3.01Å; M766-T769 WeakPolarHBondContact O-CB 3.49Å; M766-T769 PolarHBondContact O-N 3.39Å; M766-T769 VanDerWaalsContact O-N 3.07Å; M766-T769 PolarHBondContact O-OG1 2.84Å; E767-T769 VanDerWaalsContact C-N 3.35Å; T769-W810 HydrophobicContact CG2-CH2 4.37Å; T769-W810 HydrophobicContact CG2-CZ2 3.94Å; T769-W810 VanDerWaalsContact OG1-CZ2 3.23Å; T769-W810 WeakPolarHBondContact OG1-CZ2 3.38Å |
| 770 | P | 95 | Very high | 93.3 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | trans | -63.4 | 139.1 | 172.1 | -22.1 | 32.9 | 0 | 0 | 0 | 111.3 | F746 K768 L772 Q773 I774 | F746-P770 HydrophobicContact CE2-CG 4.15Å; F746-P770 HydrophobicContact CZ-CG 4.21Å; K768-P770 WeakPolarHBondContact O-CD 2.99Å; P770-L772 PolarHBondContact O-N 2.78Å; P770-Q773 HydrophobicContact CB-CG 4.44Å; P770-Q773 PolarHBondContact O-N 3.32Å; P770-I774 PolarHBondContact O-N 2.98Å | ||
| 771 | A | 92.8 | Very high | 93.5 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -55.4 | -31.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q773 I774 F806 L809 | A771-Q773 VanDerWaalsContact C-N 3.27Å; A771-Q773 PolarHBondContact O-N 3.08Å; A771-I774 HydrophobicContact CB-CD1 4.35Å; A771-F806 HydrophobicContact CB-CE2 4.47Å; A771-L809 HydrophobicContact CB-CD1 4.49Å |
| 772 | L | 93.8 | Very high | 93.6 | Very high | 166 Ų | 166 | 52.8 Ų | 52.8 | 87% | 0.869 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -68.3 | -23.5 | 177.3 | -66.1 | 169.9 | 0 | 0 | 0 | 113.5 | P770 | P770-L772 PolarHBondContact O-N 2.78Š|
| 773 | Q | 93.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -99.6 | -8.4 | -175.7 | -68.1 | -178.3 | -14 | 0 | 0 | 113.3 | P770 A771 D775 C776 V777 | P770-Q773 HydrophobicContact CB-CG 4.44Å; P770-Q773 PolarHBondContact O-N 3.32Å; A771-Q773 VanDerWaalsContact C-N 3.27Å; A771-Q773 PolarHBondContact O-N 3.08Å; Q773-D775 PolarHBondContact O-N 2.87Å; Q773-C776 WeakPolarHBondContact O-CB 3.28Å; Q773-C776 PolarHBondContact O-N 3.4Å; Q773-C776 VanDerWaalsContact O-N 3.09Å; Q773-V777 WeakPolarHBondContact O-CG2 3.25Å; Q773-V777 PolarHBondContact O-N 2.91Å |
| 774 | I | 94.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -51.4 | -42.6 | 179.2 | -66.5 | 174.8 | 0 | 0 | 0 | 111.1 | P770 A771 V777 C778 F806 L809 W810 | P770-I774 PolarHBondContact O-N 2.98Å; A771-I774 HydrophobicContact CB-CD1 4.35Å; I774-V777 PolarHBondContact O-N 3.39Å; I774-C778 WeakPolarHBondContact O-CB 3.32Å; I774-C778 PolarHBondContact O-N 2.81Å; I774-C778 PolarHBondContact O-SG 2.82Å; I774-F806 HydrophobicContact CD1-CD2 4.19Å; I774-F806 HydrophobicContact CD1-CE2 3.77Å; I774-F806 HydrophobicContact CD1-CZ 4.2Å; I774-L809 HydrophobicContact CD1-CB 4.1Å; I774-W810 HydrophobicContact CD1-CG 4.41Å; I774-W810 HydrophobicContact CG1-CD2 4.41Å; I774-W810 HydrophobicContact CG1-CZ2 4.15Å; I774-W810 HydrophobicContact CG2-CD2 3.69Å; I774-W810 HydrophobicContact CG2-CE3 3.84Å; I774-W810 HydrophobicContact CG2-CG 4.05Å; I774-W810 HydrophobicContact CG2-CZ2 4.47Å; I774-W810 HydrophobicContact CG2-CZ3 4.27Å |
| 775 | D | 94.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | -177.7 | -158.3 | 51.8 | 0 | 0 | 0 | 112.5 | Q773 C778 K779 S813 H817 | Q773-D775 PolarHBondContact O-N 2.87Å; D775-C778 PolarHBondContact O-N 2.88Å; D775-K779 WeakPolarHBondContact O-CB 3.33Å; D775-K779 PolarHBondContact O-N 2.97Å; D775-S813 PolarHBondContact OD1-OG 2.89Å; D775-H817 VanDerWaalsContact CG-NE2 3.33Å; D775-H817 IonicContact OD1-CD2 3.52Å; D775-H817 IonicContact OD1-CE1 3.17Å; D775-H817 IonicContact OD1-NE2 2.97Å; D775-H817 PolarHBondContact OD1-NE2 3.35Å; D775-H817 IonicContact OD2-CE1 3.01Å; D775-H817 IonicContact OD2-NE2 3.26Å; D775-H817 PolarHBondContact OD2-NE2 2.85Å |
| 776 | C | 93.5 | Very high | 93 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | Q773 K779 A780 | Q773-C776 WeakPolarHBondContact O-CB 3.28Å; Q773-C776 PolarHBondContact O-N 3.4Å; Q773-C776 VanDerWaalsContact O-N 3.09Å; C776-K779 PolarHBondContact O-N 2.99Å; C776-A780 WeakPolarHBondContact O-CB 3.36Å; C776-A780 PolarHBondContact O-N 2.83Å; C776-A780 VanDerWaalsContact O-N 3.07Å |
| 777 | V | 95.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | 178.5 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | F746 L750 Q773 I774 K779 A780 L781 W810 | F746-V777 HydrophobicContact CB-CG2 3.95Å; L750-V777 HydrophobicContact CD2-CG1 3.81Å; Q773-V777 WeakPolarHBondContact O-CG2 3.25Å; Q773-V777 PolarHBondContact O-N 2.91Å; I774-V777 PolarHBondContact O-N 3.39Å; V777-K779 VanDerWaalsContact C-N 3.27Å; V777-K779 PolarHBondContact O-N 2.8Å; V777-A780 PolarHBondContact O-N 2.91Å; V777-A780 VanDerWaalsContact O-N 3.09Å; V777-L781 WeakPolarHBondContact O-CG 3.28Å; V777-L781 PolarHBondContact O-N 3.09Å; V777-L781 VanDerWaalsContact O-N 3.1Å; V777-W810 HydrophobicContact CB-CH2 4.17Å; V777-W810 HydrophobicContact CG1-CH2 3.79Å; V777-W810 HydrophobicContact CG1-CZ3 4.18Å |
| 778 | C | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 178.1 | -69 | 0 | 0 | 0 | 0 | 112.7 | I774 D775 W810 S813 H818 | I774-C778 WeakPolarHBondContact O-CB 3.32Å; I774-C778 PolarHBondContact O-N 2.81Å; I774-C778 PolarHBondContact O-SG 2.82Å; D775-C778 PolarHBondContact O-N 2.88Å; C778-W810 VanDerWaalsContact SG-CZ3 3.52Å; C778-S813 VanDerWaalsContact SG-CB 3.6Å; C778-H818 PolarHBondContact O-NE2 3.05Å |
| 779 | K | 93.5 | Very high | 92.3 | Very high | 152 Ų | 152 | 50 Ų | 50 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.7 | -33.9 | 176.1 | -173.4 | 179.2 | 179.7 | -178.3 | 0 | 112.8 | D775 C776 V777 | D775-K779 WeakPolarHBondContact O-CB 3.33Å; D775-K779 PolarHBondContact O-N 2.97Å; C776-K779 PolarHBondContact O-N 2.99Å; V777-K779 VanDerWaalsContact C-N 3.27Å; V777-K779 PolarHBondContact O-N 2.8Å |
| 780 | A | 93.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 50 Ų | 50 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -76.7 | -24.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C776 V777 P782 | C776-A780 WeakPolarHBondContact O-CB 3.36Å; C776-A780 PolarHBondContact O-N 2.83Å; C776-A780 VanDerWaalsContact O-N 3.07Å; V777-A780 PolarHBondContact O-N 2.91Å; V777-A780 VanDerWaalsContact O-N 3.09Å; A780-P782 WeakPolarHBondContact O-CD 3.37Å |
| 781 | L | 92.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -67.4 | 127 | -179.4 | -73.4 | 170.9 | 0 | 0 | 0 | 111.9 | L750 M751 V777 V789 H818 | L750-L781 HydrophobicContact CD2-CD1 3.86Å; L750-L781 HydrophobicContact CD2-CD2 4.2Å; L750-L781 HydrophobicContact CD2-CG 4.49Å; L750-L781 HydrophobicContact CG-CD2 4.49Å; M751-L781 HydrophobicContact CG-CD2 3.77Å; V777-L781 WeakPolarHBondContact O-CG 3.28Å; V777-L781 PolarHBondContact O-N 3.09Å; V777-L781 VanDerWaalsContact O-N 3.1Å; L781-V789 HydrophobicContact CD1-CG2 4.41Å; L781-H818 PolarHBondContact O-CE1 3.44Å; L781-H818 PolarHBondContact O-NE2 2.82Å |
| 782 | P | 92.5 | Very high | 91.5 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 39% | 0.39 | 25% | 0.253 | S | S | . | . | trans | -56.2 | 148.5 | 164.7 | -25.4 | 31.7 | 0 | 0 | 0 | 112.7 | M751 A780 V784 Y785 A786 | M751-P782 HydrophobicContact SD-CG 4.43Å; A780-P782 WeakPolarHBondContact O-CD 3.37Å; P782-V784 VanDerWaalsContact C-N 3.27Å; P782-V784 PolarHBondContact O-N 3.5Å; P782-V784 VanDerWaalsContact O-N 3.15Å; P782-Y785 HydrophobicContact CB-CD2 3.73Å; P782-Y785 HydrophobicContact CB-CE2 4.23Å; P782-Y785 HydrophobicContact CG-CD2 3.64Å; P782-Y785 HydrophobicContact CG-CE2 3.96Å; P782-Y785 PolarHBondContact O-N 3.07Å; P782-A786 PolarHBondContact O-N 2.64Å | ||
| 783 | E | 88.5 | Confident | 91.3 | Very high | 64 Ų | 64 | 38.7 Ų | 38.7 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50.2 | -45 | -175.5 | -60.7 | 178.4 | 171.5 | 0 | 0 | 113.3 | Y785 A786 E787 N821 R825 | E783-Y785 VanDerWaalsContact C-N 3.29Å; E783-Y785 PolarHBondContact O-N 3.11Å; E783-A786 WeakPolarHBondContact O-CB 3.35Å; E783-A786 PolarHBondContact O-N 3.48Å; E783-A786 VanDerWaalsContact O-N 3.16Å; E783-E787 WeakPolarHBondContact O-CG 3.42Å; E783-E787 PolarHBondContact O-N 3.47Å; E783-N821 PolarHBondContact OE1-ND2 2.6Å; E783-R825 IonicContact OE2-CZ 2.81Å; E783-R825 IonicContact OE2-NH1 3.03Å; E783-R825 PolarHBondContact OE2-NH1 3.32Å; E783-R825 IonicContact OE2-NH2 3.82Å; E783-R825 PolarHBondContact OE2-NH2 2.77Å |
| 784 | V | 87.5 | Confident | 90.7 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 35% | 0.352 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.6 | -34.2 | -176.1 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | Y726 P782 K788 | Y726-V784 HydrophobicContact CE1-CG1 4.2Å; Y726-V784 WeakPolarHBondContact OH-CG1 3.27Å; P782-V784 VanDerWaalsContact C-N 3.27Å; P782-V784 PolarHBondContact O-N 3.5Å; P782-V784 VanDerWaalsContact O-N 3.15Å; V784-K788 PolarHBondContact O-N 3.1Å |
| 785 | Y | 91 | Very high | 90 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 9% | 0.09 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.2 | -35.5 | 174.9 | -59.2 | -55.5 | 0 | 0 | 0 | 111.2 | Y726 Q727 M751 V754 K755 P782 E783 E787 K788 V789 | Y726-Y785 HydrophobicContact CD1-CD1 4.26Å; Y726-Y785 AromaticContact CD1-CE1 3.73Å; Y726-Y785 HydrophobicContact CD1-CE1 3.73Å; Y726-Y785 HydrophobicContact CE1-CD1 4.08Å; Y726-Y785 AromaticContact CE1-CE1 3.61Å; Y726-Y785 HydrophobicContact CE1-CE1 3.61Å; Q727-Y785 PolarHBondContact OE1-OH 3.3Å; M751-Y785 HydrophobicContact CG-CD2 4.43Å; V754-Y785 HydrophobicContact CB-CD1 4.38Å; V754-Y785 HydrophobicContact CG1-CD1 3.64Å; V754-Y785 HydrophobicContact CG1-CE1 4.42Å; V754-Y785 HydrophobicContact CG1-CG 4.42Å; K755-Y785 WeakPolarHBondContact CE-OH 3.32Å; K755-Y785 HydrophobicContact CG-CE1 4.29Å; P782-Y785 HydrophobicContact CB-CD2 3.73Å; P782-Y785 HydrophobicContact CB-CE2 4.23Å; P782-Y785 HydrophobicContact CG-CD2 3.64Å; P782-Y785 HydrophobicContact CG-CE2 3.96Å; P782-Y785 PolarHBondContact O-N 3.07Å; E783-Y785 VanDerWaalsContact C-N 3.29Å; E783-Y785 PolarHBondContact O-N 3.11Å; Y785-E787 VanDerWaalsContact C-N 3.32Å; Y785-E787 PolarHBondContact O-N 3.14Å; Y785-K788 PolarHBondContact O-N 2.86Å; Y785-V789 VanDerWaalsContact O-CG2 3.32Å; Y785-V789 WeakPolarHBondContact O-CG2 3.11Å; Y785-V789 PolarHBondContact O-N 2.93Å |
| 786 | A | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P782 E783 K788 V789 L790 M822 | P782-A786 PolarHBondContact O-N 2.64Å; E783-A786 WeakPolarHBondContact O-CB 3.35Å; E783-A786 PolarHBondContact O-N 3.48Å; E783-A786 VanDerWaalsContact O-N 3.16Å; A786-K788 PolarHBondContact O-N 3.11Å; A786-V789 PolarHBondContact O-N 2.77Å; A786-L790 WeakPolarHBondContact O-CB 3.22Å; A786-L790 PolarHBondContact O-N 3.03Å; A786-M822 HydrophobicContact CB-CE 4.47Å |
| 787 | E | 88.2 | Confident | 88.3 | Confident | 44 Ų | 44 | 32 Ų | 32 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 173.2 | -71.8 | 174.1 | -166.3 | 0 | 0 | 112 | E783 Y785 L790 S791 M822 R825 V829 | E783-E787 WeakPolarHBondContact O-CG 3.42Å; E783-E787 PolarHBondContact O-N 3.47Å; Y785-E787 VanDerWaalsContact C-N 3.32Å; Y785-E787 PolarHBondContact O-N 3.14Å; E787-L790 PolarHBondContact O-N 2.7Å; E787-S791 PolarHBondContact O-N 3.38Å; E787-M822 HydrophobicContact CG-CE 4.08Å; E787-R825 IonicContact OE1-NH1 3.7Å; E787-V829 HydrophobicContact CG-CG2 4.12Å |
| 788 | K | 87.6 | Confident | 87.6 | Confident | 54 Ų | 54 | 31.7 Ų | 31.7 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -39.1 | 177.6 | -73.7 | -173.3 | 169.7 | -141.5 | 0 | 113.7 | Y726 V754 V784 Y785 A786 L790 S791 F792 | Y726-K788 HydrophobicContact CD1-CD 4.07Å; Y726-K788 HydrophobicContact CE1-CD 4.24Å; Y726-K788 HydrophobicContact CG-CD 4.33Å; V754-K788 HydrophobicContact CG1-CB 4.03Å; V754-K788 HydrophobicContact CG1-CD 3.94Å; V784-K788 PolarHBondContact O-N 3.1Å; Y785-K788 PolarHBondContact O-N 2.86Å; A786-K788 PolarHBondContact O-N 3.11Å; K788-L790 VanDerWaalsContact C-N 3.31Å; K788-S791 PolarHBondContact O-N 2.79Å; K788-S791 PolarHBondContact O-OG 3.16Å; K788-F792 VanDerWaalsContact O-CB 3.31Å; K788-F792 WeakPolarHBondContact O-CB 3.43Å; K788-F792 PolarHBondContact O-N 2.8Å |
| 789 | V | 91 | Very high | 86.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | L750 V754 M766 L781 Y785 A786 F792 I793 I814 | L750-V789 HydrophobicContact CD2-CG2 4.47Å; V754-V789 HydrophobicContact CG2-CG2 3.63Å; M766-V789 HydrophobicContact SD-CG1 4.3Å; L781-V789 HydrophobicContact CD1-CG2 4.41Å; Y785-V789 VanDerWaalsContact O-CG2 3.32Å; Y785-V789 WeakPolarHBondContact O-CG2 3.11Å; Y785-V789 PolarHBondContact O-N 2.93Å; A786-V789 PolarHBondContact O-N 2.77Å; V789-F792 PolarHBondContact O-N 3.22Å; V789-I793 HydrophobicContact CG1-CD1 3.81Å; V789-I793 HydrophobicContact CG1-CG1 4.34Å; V789-I793 VanDerWaalsContact O-CG1 3.27Å; V789-I793 WeakPolarHBondContact O-CG1 3.31Å; V789-I793 PolarHBondContact O-N 3.43Å; V789-I814 HydrophobicContact CB-CD1 4.36Å; V789-I814 HydrophobicContact CG1-CD1 3.77Å |
| 790 | L | 89.9 | Confident | 86 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 176 | -174 | 66.8 | 0 | 0 | 0 | 112.1 | A786 E787 K788 F792 I793 G794 V811 I814 M822 I833 V836 | A786-L790 WeakPolarHBondContact O-CB 3.22Å; A786-L790 PolarHBondContact O-N 3.03Å; E787-L790 PolarHBondContact O-N 2.7Å; K788-L790 VanDerWaalsContact C-N 3.31Å; L790-F792 VanDerWaalsContact C-N 3.32Å; L790-F792 PolarHBondContact O-N 3.41Å; L790-I793 PolarHBondContact O-N 3.39Å; L790-G794 PolarHBondContact O-N 3Å; L790-V811 HydrophobicContact CD1-CG1 4.41Å; L790-V811 HydrophobicContact CD1-CG2 4.48Å; L790-I814 HydrophobicContact CB-CG2 4.36Å; L790-I814 HydrophobicContact CD1-CG2 4.38Å; L790-M822 HydrophobicContact CD2-CE 3.99Å; L790-M822 HydrophobicContact CD2-SD 3.94Å; L790-I833 HydrophobicContact CD2-CG1 4.29Å; L790-V836 HydrophobicContact CD1-CG2 3.97Å; L790-V836 HydrophobicContact CG-CG2 4.16Å; L790-V836 WeakPolarHBondContact O-CG2 3.05Å |
| 791 | S | 86 | Confident | 85.5 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 175 | 71 | 0 | 0 | 0 | 0 | 110.9 | E787 K788 I793 G794 E795 | E787-S791 PolarHBondContact O-N 3.38Å; K788-S791 PolarHBondContact O-N 2.79Å; K788-S791 PolarHBondContact O-OG 3.16Å; S791-I793 PolarHBondContact O-N 3.16Å; S791-G794 PolarHBondContact O-N 2.98Å; S791-G794 VanDerWaalsContact O-N 3.15Å; S791-E795 VanDerWaalsContact O-CG 3.31Å; S791-E795 WeakPolarHBondContact O-CG 3.49Å; S791-E795 PolarHBondContact O-N 3.2Å; S791-E795 VanDerWaalsContact O-N 3.15Å |
| 792 | F | 87.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 179.3 | -179.5 | -113.9 | 0 | 0 | 0 | 113 | P759 M762 I763 M766 K788 V789 L790 G794 E795 P797 | P759-F792 HydrophobicContact CB-CE2 3.57Å; P759-F792 HydrophobicContact CB-CZ 3.93Å; P759-F792 WeakPolarHBondContact O-CZ 3.38Å; M762-F792 HydrophobicContact CB-CD1 3.89Å; M762-F792 HydrophobicContact CB-CE1 3.46Å; M762-F792 VanDerWaalsContact CB-CE1 3.46Å; M762-F792 HydrophobicContact CB-CZ 3.87Å; M762-F792 HydrophobicContact CE-CB 4.44Å; M762-F792 HydrophobicContact CE-CD1 4.15Å; M762-F792 HydrophobicContact CE-CD2 3.42Å; M762-F792 VanDerWaalsContact CE-CD2 3.42Å; M762-F792 HydrophobicContact CE-CE1 4.28Å; M762-F792 HydrophobicContact CE-CE2 3.61Å; M762-F792 HydrophobicContact CE-CG 3.72Å; M762-F792 HydrophobicContact CE-CZ 4.02Å; M762-F792 HydrophobicContact SD-CD1 4.23Å; M762-F792 HydrophobicContact SD-CD2 4.42Å; M762-F792 HydrophobicContact SD-CG 4.12Å; I763-F792 HydrophobicContact CD1-CZ 4.09Å; I763-F792 HydrophobicContact CG1-CE1 3.93Å; I763-F792 HydrophobicContact CG1-CZ 3.72Å; M766-F792 HydrophobicContact CE-CD1 3.46Å; M766-F792 VanDerWaalsContact CE-CD1 3.46Å; M766-F792 HydrophobicContact CE-CE1 3.34Å; K788-F792 VanDerWaalsContact O-CB 3.31Å; K788-F792 WeakPolarHBondContact O-CB 3.43Å; K788-F792 PolarHBondContact O-N 2.8Å; V789-F792 PolarHBondContact O-N 3.22Å; L790-F792 VanDerWaalsContact C-N 3.32Å; L790-F792 PolarHBondContact O-N 3.41Å; F792-G794 PolarHBondContact O-N 3.3Å; F792-E795 WeakPolarHBondContact O-CB 3.42Å; F792-E795 PolarHBondContact O-N 3.21Å; F792-E795 VanDerWaalsContact O-N 3.11Å; F792-P797 HydrophobicContact CD1-CG 4.37Å; F792-P797 HydrophobicContact CE1-CG 3.9Å; F792-P797 HydrophobicContact CZ-CG 4.09Å; F792-P797 WeakPolarHBondContact O-CD 3.47Å |
| 793 | I | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -37.6 | 177 | -66.2 | 161.6 | 0 | 0 | 0 | 110.9 | M766 V789 L790 S791 E795 L798 Y807 W810 V811 I814 | M766-I793 HydrophobicContact CE-CG1 4.3Å; M766-I793 HydrophobicContact SD-CD1 4.27Å; M766-I793 HydrophobicContact SD-CG1 3.97Å; V789-I793 HydrophobicContact CG1-CD1 3.81Å; V789-I793 HydrophobicContact CG1-CG1 4.34Å; V789-I793 VanDerWaalsContact O-CG1 3.27Å; V789-I793 WeakPolarHBondContact O-CG1 3.31Å; V789-I793 PolarHBondContact O-N 3.43Å; L790-I793 PolarHBondContact O-N 3.39Å; S791-I793 PolarHBondContact O-N 3.16Å; I793-E795 VanDerWaalsContact C-N 3.32Å; I793-E795 PolarHBondContact O-N 2.91Å; I793-L798 HydrophobicContact CG2-CB 4.45Å; I793-L798 WeakPolarHBondContact O-CB 3.46Å; I793-L798 PolarHBondContact O-N 3.04Å; I793-Y807 HydrophobicContact CG1-CD1 4.48Å; I793-Y807 HydrophobicContact CG2-CD1 4.2Å; I793-W810 HydrophobicContact CD1-CB 3.81Å; I793-V811 HydrophobicContact CG2-CG2 3.69Å; I793-I814 HydrophobicContact CD1-CD1 3.82Å |
| 794 | G | 83 | Confident | 84.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -28.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L790 S791 F792 K835 S839 | L790-G794 PolarHBondContact O-N 3Å; S791-G794 PolarHBondContact O-N 2.98Å; S791-G794 VanDerWaalsContact O-N 3.15Å; F792-G794 PolarHBondContact O-N 3.3Å; G794-K835 VanDerWaalsContact O-CE 3.26Å; G794-K835 WeakPolarHBondContact O-CE 3.24Å; G794-K835 WeakPolarHBondContact O-CG 3.41Å; G794-S839 PolarHBondContact O-OG 3.35Å |
| 795 | E | 79.2 | Confident | 84.9 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.1 | -75.9 | -174.9 | -73.7 | 165.4 | -144.4 | 0 | 0 | 112.3 | R702 S791 F792 I793 | R702-E795 IonicContact CZ-OE1 3.99Å; R702-E795 IonicContact CZ-OE2 2.85Å; R702-E795 IonicContact NH1-OE1 3.01Å; R702-E795 PolarHBondContact NH1-OE1 3.3Å; R702-E795 IonicContact NH1-OE2 2.77Å; R702-E795 PolarHBondContact NH1-OE2 3.44Å; R702-E795 VanDerWaalsContact NH2-CD 3.26Å; R702-E795 IonicContact NH2-OE1 3.77Å; R702-E795 IonicContact NH2-OE2 3.11Å; R702-E795 PolarHBondContact NH2-OE2 3.49Å; S791-E795 VanDerWaalsContact O-CG 3.31Å; S791-E795 WeakPolarHBondContact O-CG 3.49Å; S791-E795 PolarHBondContact O-N 3.2Å; S791-E795 VanDerWaalsContact O-N 3.15Å; F792-E795 WeakPolarHBondContact O-CB 3.42Å; F792-E795 PolarHBondContact O-N 3.21Å; F792-E795 VanDerWaalsContact O-N 3.11Å; I793-E795 VanDerWaalsContact C-N 3.32Å; I793-E795 PolarHBondContact O-N 2.91Å |
| 796 | D | 74.3 | Confident | 84.9 | Confident | 80 Ų | 80 | 41 Ų | 41 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -50.6 | -172.4 | -64.8 | -32.5 | 0 | 0 | 0 | 113 | L798 A799 S800 | D796-L798 VanDerWaalsContact C-N 3.32Å; D796-L798 PolarHBondContact O-N 3.34Å; D796-A799 PolarHBondContact O-N 3.09Å; D796-S800 PolarHBondContact O-N 3.45Å; D796-S800 PolarHBondContact O-OG 3.32Å |
| 797 | P | 78.3 | Confident | 85 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | -164.7 | -21.3 | 31.8 | 0 | 0 | 0 | 112.4 | I763 F792 A799 S801 Y807 | I763-P797 HydrophobicContact CG1-CG 4.27Å; F792-P797 HydrophobicContact CD1-CG 4.37Å; F792-P797 HydrophobicContact CE1-CG 3.9Å; F792-P797 HydrophobicContact CZ-CG 4.09Å; F792-P797 WeakPolarHBondContact O-CD 3.47Å; P797-A799 VanDerWaalsContact C-N 3.33Å; P797-A799 PolarHBondContact O-N 3.05Å; P797-S801 WeakPolarHBondContact O-CB 3.16Å; P797-S801 PolarHBondContact O-N 3.21Å; P797-S801 PolarHBondContact O-OG 3.21Å; P797-Y807 HydrophobicContact CB-CD1 3.78Å; P797-Y807 HydrophobicContact CB-CD2 4.2Å; P797-Y807 HydrophobicContact CB-CE1 3.35Å; P797-Y807 HydrophobicContact CB-CE2 3.84Å; P797-Y807 HydrophobicContact CB-CG 4.2Å; P797-Y807 HydrophobicContact CG-CE1 4.18Å |
| 798 | L | 80.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.5 | -30.2 | 178 | -160.8 | 67 | 0 | 0 | 0 | 112.7 | I793 D796 L804 V836 L840 R843 | I793-L798 HydrophobicContact CG2-CB 4.45Å; I793-L798 WeakPolarHBondContact O-CB 3.46Å; I793-L798 PolarHBondContact O-N 3.04Å; D796-L798 VanDerWaalsContact C-N 3.32Å; D796-L798 PolarHBondContact O-N 3.34Å; L798-L804 HydrophobicContact CD1-CD1 3.83Å; L798-V836 HydrophobicContact CD2-CG1 4.36Å; L798-L840 HydrophobicContact CD1-CD2 4.25Å; L798-L840 HydrophobicContact CD2-CD2 3.67Å; L798-L840 HydrophobicContact CD2-CG 3.73Å; L798-L840 HydrophobicContact CG-CD2 4.32Å; L798-R843 WeakPolarHBondContact O-CG 3.28Å; L798-R843 PolarHBondContact O-NE 3.12Å; L798-R843 PolarHBondContact O-NH2 3.39Å |
| 799 | A | 74.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -83.9 | -35.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | D796 P797 R843 | D796-A799 PolarHBondContact O-N 3.09Å; P797-A799 VanDerWaalsContact C-N 3.33Å; P797-A799 PolarHBondContact O-N 3.05Å; A799-R843 VanDerWaalsContact O-CZ 3.27Å; A799-R843 PolarHBondContact O-NE 3.4Å; A799-R843 PolarHBondContact O-NH2 3.13Å |
| 800 | S | 78.9 | Confident | 85.5 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -109.6 | -33.1 | -171.8 | 66.2 | 0 | 0 | 0 | 0 | 114.9 | D796 | D796-S800 PolarHBondContact O-N 3.45Å; D796-S800 PolarHBondContact O-OG 3.32Å |
| 801 | S | 83.7 | Confident | 85.5 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | trans | -68.8 | 160.8 | -170.7 | 78.6 | 0 | 0 | 0 | 0 | 114.4 | P797 H803 Y807 R843 | P797-S801 WeakPolarHBondContact O-CB 3.16Å; P797-S801 PolarHBondContact O-N 3.21Å; P797-S801 PolarHBondContact O-OG 3.21Å; S801-H803 PolarHBondContact OG-N 2.74Å; S801-Y807 VanDerWaalsContact OG-CD2 3.24Å; S801-Y807 WeakPolarHBondContact OG-CD2 3.07Å; S801-Y807 WeakPolarHBondContact OG-CE2 3.09Å; S801-R843 PolarHBondContact O-NH1 2.73Å; S801-R843 PolarHBondContact O-NH2 3.37Å | ||
| 802 | V | 86.1 | Confident | 85.9 | Confident | 134 Ų | 134 | 49.5 Ų | 49.5 | 81% | 0.812 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -83 | -20.8 | 171.9 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | L804 | V802-L804 VanDerWaalsContact C-N 3.3Å; V802-L804 PolarHBondContact O-N 3.41Å |
| 803 | H | 87.3 | Confident | 86.2 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | trans | -85.6 | 49.9 | -171.6 | -55.1 | -61.2 | 0 | 0 | 0 | 113.9 | E767 S801 E805 F806 Y807 | E767-H803 IonicContact OE1-CD2 2.8Å; S801-H803 PolarHBondContact OG-N 2.74Å; H803-E805 PolarHBondContact O-N 2.92Å; H803-F806 HydrophobicContact CB-CB 3.92Å; H803-F806 WeakPolarHBondContact O-CB 3.41Å; H803-F806 PolarHBondContact O-N 3.25Å; H803-F806 VanDerWaalsContact O-N 3.12Å; H803-Y807 HydrophobicContact CB-CD2 4.23Å; H803-Y807 HydrophobicContact CB-CE2 4.02Å; H803-Y807 WeakPolarHBondContact O-CD2 3.36Å; H803-Y807 PolarHBondContact O-N 3.02Å | ||
| 804 | L | 85.9 | Confident | 86.3 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -48.1 | -174 | -179.3 | 67 | 0 | 0 | 0 | 113.5 | L798 V802 F806 Y807 L808 R843 L847 | L798-L804 HydrophobicContact CD1-CD1 3.83Å; V802-L804 VanDerWaalsContact C-N 3.3Å; V802-L804 PolarHBondContact O-N 3.41Å; L804-F806 VanDerWaalsContact C-N 3.27Å; L804-F806 PolarHBondContact O-N 3.35Å; L804-Y807 PolarHBondContact O-N 2.84Å; L804-L808 HydrophobicContact CD1-CD1 4.46Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 VanDerWaalsContact O-CG 3.29Å; L804-L808 WeakPolarHBondContact O-CG 3.27Å; L804-L808 PolarHBondContact O-N 3.29Å; L804-R843 HydrophobicContact CD1-CB 4.35Å; L804-R843 HydrophobicContact CD1-CG 4.14Å; L804-L847 HydrophobicContact CD2-CD1 3.7Å |
| 805 | E | 88.9 | Confident | 86.7 | Confident | 152 Ų | 152 | 53 Ų | 53 | 71% | 0.71 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 179.6 | -176.9 | 176.9 | -175.9 | 0 | 0 | 111.8 | H803 L808 L809 | H803-E805 PolarHBondContact O-N 2.92Å; E805-L808 WeakPolarHBondContact O-CB 3.21Å; E805-L808 PolarHBondContact O-N 2.81Å; E805-L809 WeakPolarHBondContact O-CG 3.41Å; E805-L809 PolarHBondContact O-N 2.84Å |
| 806 | F | 92.3 | Very high | 87.3 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 179.4 | -173.7 | -105.3 | 0 | 0 | 0 | 111.8 | M766 A771 I774 H803 L804 L808 L809 W810 | M766-F806 WeakPolarHBondContact O-CE1 3.19Å; M766-F806 WeakPolarHBondContact O-CZ 3.34Å; A771-F806 HydrophobicContact CB-CE2 4.47Å; I774-F806 HydrophobicContact CD1-CD2 4.19Å; I774-F806 HydrophobicContact CD1-CE2 3.77Å; I774-F806 HydrophobicContact CD1-CZ 4.2Å; H803-F806 HydrophobicContact CB-CB 3.92Å; H803-F806 WeakPolarHBondContact O-CB 3.41Å; H803-F806 PolarHBondContact O-N 3.25Å; H803-F806 VanDerWaalsContact O-N 3.12Å; L804-F806 VanDerWaalsContact C-N 3.27Å; L804-F806 PolarHBondContact O-N 3.35Å; F806-L808 VanDerWaalsContact C-N 3.29Å; F806-L808 PolarHBondContact O-N 2.85Å; F806-L809 WeakPolarHBondContact O-CB 3.46Å; F806-L809 PolarHBondContact O-N 3.03Å; F806-W810 AromaticContact CD1-CD1 3.97Å; F806-W810 AromaticContact CE1-CD1 3.73Å; F806-W810 AromaticContact CE1-NE1 3.32Å; F806-W810 VanDerWaalsContact CE1-NE1 3.32Å; F806-W810 AromaticContact CZ-NE1 3.44Å; F806-W810 PolarHBondContact O-N 2.76Å |
| 807 | Y | 92.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -29.4 | 176.7 | -70 | -69.7 | 0 | 0 | 0 | 112.7 | M766 E767 I793 P797 S801 H803 L804 W810 V811 | M766-Y807 HydrophobicContact CE-CE1 3.9Å; M766-Y807 HydrophobicContact SD-CE1 4.39Å; E767-Y807 WeakPolarHBondContact CG-OH 3.04Å; E767-Y807 PolarHBondContact OE1-OH 3.12Å; I793-Y807 HydrophobicContact CG1-CD1 4.48Å; I793-Y807 HydrophobicContact CG2-CD1 4.2Å; P797-Y807 HydrophobicContact CB-CD1 3.78Å; P797-Y807 HydrophobicContact CB-CD2 4.2Å; P797-Y807 HydrophobicContact CB-CE1 3.35Å; P797-Y807 HydrophobicContact CB-CE2 3.84Å; P797-Y807 HydrophobicContact CB-CG 4.2Å; P797-Y807 HydrophobicContact CG-CE1 4.18Å; S801-Y807 VanDerWaalsContact OG-CD2 3.24Å; S801-Y807 WeakPolarHBondContact OG-CD2 3.07Å; S801-Y807 WeakPolarHBondContact OG-CE2 3.09Å; H803-Y807 HydrophobicContact CB-CD2 4.23Å; H803-Y807 HydrophobicContact CB-CE2 4.02Å; H803-Y807 WeakPolarHBondContact O-CD2 3.36Å; H803-Y807 PolarHBondContact O-N 3.02Å; L804-Y807 PolarHBondContact O-N 2.84Å; Y807-W810 WeakPolarHBondContact O-CB 3.49Å; Y807-W810 PolarHBondContact O-N 2.83Å; Y807-V811 WeakPolarHBondContact O-CG2 3.31Å; Y807-V811 PolarHBondContact O-N 2.88Å |
| 808 | L | 89.6 | Confident | 88.8 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 172.3 | -74.9 | 172.1 | 0 | 0 | 0 | 112.6 | L804 E805 F806 V811 R812 L840 | L804-L808 HydrophobicContact CD1-CD1 4.46Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 VanDerWaalsContact O-CG 3.29Å; L804-L808 WeakPolarHBondContact O-CG 3.27Å; L804-L808 PolarHBondContact O-N 3.29Å; E805-L808 WeakPolarHBondContact O-CB 3.21Å; E805-L808 PolarHBondContact O-N 2.81Å; F806-L808 VanDerWaalsContact C-N 3.29Å; F806-L808 PolarHBondContact O-N 2.85Å; L808-V811 PolarHBondContact O-N 3.26Å; L808-R812 VanDerWaalsContact O-CB 3.28Å; L808-R812 WeakPolarHBondContact O-CB 3.37Å; L808-R812 PolarHBondContact O-N 2.85Å; L808-L840 HydrophobicContact CD2-CD2 3.4Å |
| 809 | L | 93 | Very high | 89.2 | Confident | 60 Ų | 60 | 59 Ų | 59 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 173.4 | -69.6 | 173.2 | 0 | 0 | 0 | 111.2 | A771 I774 E805 F806 R812 S813 | A771-L809 HydrophobicContact CB-CD1 4.49Å; I774-L809 HydrophobicContact CD1-CB 4.1Å; E805-L809 WeakPolarHBondContact O-CG 3.41Å; E805-L809 PolarHBondContact O-N 2.84Å; F806-L809 WeakPolarHBondContact O-CB 3.46Å; F806-L809 PolarHBondContact O-N 3.03Å; L809-R812 PolarHBondContact O-N 3.48Å; L809-S813 PolarHBondContact O-N 2.93Å |
| 810 | W | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.6 | -52.2 | 173.6 | -83.6 | 102.8 | 0 | 0 | 0 | 112.7 | L750 M766 T769 I774 V777 C778 I793 F806 Y807 R812 S813 I814 | L750-W810 HydrophobicContact CD2-CH2 3.82Å; L750-W810 HydrophobicContact CD2-CZ3 4.03Å; M766-W810 HydrophobicContact CB-CZ2 4.34Å; M766-W810 HydrophobicContact CG-CZ2 4.09Å; T769-W810 HydrophobicContact CG2-CH2 4.37Å; T769-W810 HydrophobicContact CG2-CZ2 3.94Å; T769-W810 VanDerWaalsContact OG1-CZ2 3.23Å; T769-W810 WeakPolarHBondContact OG1-CZ2 3.38Å; I774-W810 HydrophobicContact CD1-CG 4.41Å; I774-W810 HydrophobicContact CG1-CD2 4.41Å; I774-W810 HydrophobicContact CG1-CZ2 4.15Å; I774-W810 HydrophobicContact CG2-CD2 3.69Å; I774-W810 HydrophobicContact CG2-CE3 3.84Å; I774-W810 HydrophobicContact CG2-CG 4.05Å; I774-W810 HydrophobicContact CG2-CZ2 4.47Å; I774-W810 HydrophobicContact CG2-CZ3 4.27Å; V777-W810 HydrophobicContact CB-CH2 4.17Å; V777-W810 HydrophobicContact CG1-CH2 3.79Å; V777-W810 HydrophobicContact CG1-CZ3 4.18Å; C778-W810 VanDerWaalsContact SG-CZ3 3.52Å; I793-W810 HydrophobicContact CD1-CB 3.81Å; F806-W810 AromaticContact CD1-CD1 3.97Å; F806-W810 AromaticContact CE1-CD1 3.73Å; F806-W810 AromaticContact CE1-NE1 3.32Å; F806-W810 VanDerWaalsContact CE1-NE1 3.32Å; F806-W810 AromaticContact CZ-NE1 3.44Å; F806-W810 PolarHBondContact O-N 2.76Å; Y807-W810 WeakPolarHBondContact O-CB 3.49Å; Y807-W810 PolarHBondContact O-N 2.83Å; W810-R812 VanDerWaalsContact C-N 3.28Å; W810-R812 PolarHBondContact O-N 3.08Å; W810-S813 PolarHBondContact O-N 2.87Å; W810-I814 HydrophobicContact CE3-CD1 4.5Å; W810-I814 VanDerWaalsContact O-CG1 3.32Å; W810-I814 WeakPolarHBondContact O-CG1 3.22Å; W810-I814 PolarHBondContact O-N 2.88Å |
| 811 | V | 91.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | L790 I793 Y807 L808 C815 V836 | L790-V811 HydrophobicContact CD1-CG1 4.41Å; L790-V811 HydrophobicContact CD1-CG2 4.48Å; I793-V811 HydrophobicContact CG2-CG2 3.69Å; Y807-V811 WeakPolarHBondContact O-CG2 3.31Å; Y807-V811 PolarHBondContact O-N 2.88Å; L808-V811 PolarHBondContact O-N 3.26Å; V811-C815 WeakPolarHBondContact O-CB 3.44Å; V811-C815 PolarHBondContact O-N 2.82Å; V811-C815 PolarHBondContact O-SG 3.26Å; V811-V836 HydrophobicContact CG1-CG1 4.06Å; V811-V836 HydrophobicContact CG2-CG1 4.27Å |
| 812 | R | 93.2 | Very high | 90.3 | Very high | 165 Ų | 165 | 62 Ų | 62 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.8 | -51.8 | 176.6 | 175.4 | -176.9 | 166.9 | 169.4 | -2 | 111.4 | L808 L809 W810 C815 L816 | L808-R812 VanDerWaalsContact O-CB 3.28Å; L808-R812 WeakPolarHBondContact O-CB 3.37Å; L808-R812 PolarHBondContact O-N 2.85Å; L809-R812 PolarHBondContact O-N 3.48Å; W810-R812 VanDerWaalsContact C-N 3.28Å; W810-R812 PolarHBondContact O-N 3.08Å; R812-C815 PolarHBondContact O-N 3.12Å; R812-L816 HydrophobicContact CG-CD1 3.82Å; R812-L816 HydrophobicContact CG-CG 4.36Å; R812-L816 WeakPolarHBondContact O-CB 3.34Å; R812-L816 VanDerWaalsContact O-CG 3.26Å; R812-L816 WeakPolarHBondContact O-CG 3.45Å; R812-L816 PolarHBondContact O-N 3.05Å |
| 813 | S | 94.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | -178 | -78.6 | 0 | 0 | 0 | 0 | 112.3 | D775 C778 L809 W810 L816 H817 | D775-S813 PolarHBondContact OD1-OG 2.89Å; C778-S813 VanDerWaalsContact SG-CB 3.6Å; L809-S813 PolarHBondContact O-N 2.93Å; W810-S813 PolarHBondContact O-N 2.87Å; S813-L816 PolarHBondContact O-N 2.9Å; S813-H817 PolarHBondContact O-CD2 3.47Å; S813-H817 PolarHBondContact O-N 2.87Å; S813-H817 VanDerWaalsContact O-N 3.14Å |
| 814 | I | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 175.1 | -67.1 | 168.4 | 0 | 0 | 0 | 110.7 | V789 L790 I793 W810 L816 H817 H818 M822 | V789-I814 HydrophobicContact CB-CD1 4.36Å; V789-I814 HydrophobicContact CG1-CD1 3.77Å; L790-I814 HydrophobicContact CB-CG2 4.36Å; L790-I814 HydrophobicContact CD1-CG2 4.38Å; I793-I814 HydrophobicContact CD1-CD1 3.82Å; W810-I814 HydrophobicContact CE3-CD1 4.5Å; W810-I814 VanDerWaalsContact O-CG1 3.32Å; W810-I814 WeakPolarHBondContact O-CG1 3.22Å; W810-I814 PolarHBondContact O-N 2.88Å; I814-L816 VanDerWaalsContact C-N 3.32Å; I814-L816 PolarHBondContact O-N 2.89Å; I814-H817 PolarHBondContact O-N 3.02Å; I814-H818 WeakPolarHBondContact O-CB 3.41Å; I814-H818 PolarHBondContact O-N 2.99Å; I814-M822 HydrophobicContact CG2-CE 3.82Å |
| 815 | C | 90.1 | Very high | 89.9 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 178.9 | -72.1 | 0 | 0 | 0 | 0 | 112.9 | V811 R812 G819 | V811-C815 WeakPolarHBondContact O-CB 3.44Å; V811-C815 PolarHBondContact O-N 2.82Å; V811-C815 PolarHBondContact O-SG 3.26Å; R812-C815 PolarHBondContact O-N 3.12Å; C815-G819 VanDerWaalsContact O-CA 3.25Å; C815-G819 WeakPolarHBondContact O-CA 3.39Å; C815-G819 PolarHBondContact O-N 2.7Å; C815-G819 VanDerWaalsContact O-N 3.09Å |
| 816 | L | 93.2 | Very high | 89.5 | Confident | 115 Ų | 115 | 68 Ų | 68 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.4 | -41.9 | 178.8 | -75.9 | 172.8 | 0 | 0 | 0 | 112.5 | R812 S813 I814 | R812-L816 HydrophobicContact CG-CD1 3.82Å; R812-L816 HydrophobicContact CG-CG 4.36Å; R812-L816 WeakPolarHBondContact O-CB 3.34Å; R812-L816 VanDerWaalsContact O-CG 3.26Å; R812-L816 WeakPolarHBondContact O-CG 3.45Å; R812-L816 PolarHBondContact O-N 3.05Å; S813-L816 PolarHBondContact O-N 2.9Å; I814-L816 VanDerWaalsContact C-N 3.32Å; I814-L816 PolarHBondContact O-N 2.89Å |
| 817 | H | 92.2 | Very high | 88.6 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -86.4 | -39.5 | -177.5 | -67.7 | -63.9 | 0 | 0 | 0 | 113.4 | D775 S813 I814 | D775-H817 VanDerWaalsContact CG-NE2 3.33Å; D775-H817 IonicContact OD1-CD2 3.52Å; D775-H817 IonicContact OD1-CE1 3.17Å; D775-H817 IonicContact OD1-NE2 2.97Å; D775-H817 PolarHBondContact OD1-NE2 3.35Å; D775-H817 IonicContact OD2-CE1 3.01Å; D775-H817 IonicContact OD2-NE2 3.26Å; D775-H817 PolarHBondContact OD2-NE2 2.85Å; S813-H817 PolarHBondContact O-CD2 3.47Å; S813-H817 PolarHBondContact O-N 2.87Å; S813-H817 VanDerWaalsContact O-N 3.14Å; I814-H817 PolarHBondContact O-N 3.02Å |
| 818 | H | 91.5 | Very high | 87.9 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -106.8 | -2.8 | -172.2 | -63.9 | -75.5 | 0 | 0 | 0 | 114.4 | C778 L781 I814 L820 N821 M822 | C778-H818 PolarHBondContact O-NE2 3.05Å; L781-H818 PolarHBondContact O-CE1 3.44Å; L781-H818 PolarHBondContact O-NE2 2.82Å; I814-H818 WeakPolarHBondContact O-CB 3.41Å; I814-H818 PolarHBondContact O-N 2.99Å; H818-L820 PolarHBondContact O-N 3.27Å; H818-N821 PolarHBondContact O-N 3.42Å; H818-M822 HydrophobicContact CB-CE 3.95Å; H818-M822 HydrophobicContact CB-SD 4.41Å; H818-M822 WeakPolarHBondContact O-CG 3.4Å; H818-M822 PolarHBondContact O-N 2.93Å |
| 819 | G | 87.5 | Confident | 87.5 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -35.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C815 K823 | C815-G819 VanDerWaalsContact O-CA 3.25Å; C815-G819 WeakPolarHBondContact O-CA 3.39Å; C815-G819 PolarHBondContact O-N 2.7Å; C815-G819 VanDerWaalsContact O-N 3.09Å; G819-K823 PolarHBondContact O-N 3.03Å; G819-K823 VanDerWaalsContact O-N 3.1Å |
| 820 | L | 88 | Confident | 87.1 | Confident | 144 Ų | 144 | 70.1 Ų | 70.1 | 75% | 0.754 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 177.3 | -70.7 | 173.3 | 0 | 0 | 0 | 111.8 | H818 K823 L824 | H818-L820 PolarHBondContact O-N 3.27Å; L820-K823 WeakPolarHBondContact O-CB 3.37Å; L820-K823 PolarHBondContact O-N 2.75Å; L820-L824 PolarHBondContact O-N 2.83Å |
| 821 | N | 86.2 | Confident | 86.6 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.3 | -37.5 | -179 | -62.7 | -12.5 | 0 | 0 | 0 | 110.7 | E783 H818 K823 L824 R825 | E783-N821 PolarHBondContact OE1-ND2 2.6Å; H818-N821 PolarHBondContact O-N 3.42Å; N821-K823 VanDerWaalsContact C-N 3.28Å; N821-K823 PolarHBondContact O-N 3.4Å; N821-L824 PolarHBondContact O-N 3.2Å; N821-R825 PolarHBondContact O-N 3.04Å |
| 822 | M | 86.9 | Confident | 86.2 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | 172.5 | -70.7 | 178.3 | 175 | 0 | 0 | 112.5 | A786 E787 L790 I814 H818 L824 R825 M826 V829 | A786-M822 HydrophobicContact CB-CE 4.47Å; E787-M822 HydrophobicContact CG-CE 4.08Å; L790-M822 HydrophobicContact CD2-CE 3.99Å; L790-M822 HydrophobicContact CD2-SD 3.94Å; I814-M822 HydrophobicContact CG2-CE 3.82Å; H818-M822 HydrophobicContact CB-CE 3.95Å; H818-M822 HydrophobicContact CB-SD 4.41Å; H818-M822 WeakPolarHBondContact O-CG 3.4Å; H818-M822 PolarHBondContact O-N 2.93Å; M822-L824 VanDerWaalsContact C-N 3.35Å; M822-L824 PolarHBondContact O-N 3.4Å; M822-R825 CarbonylContact O-C 3.59Å; M822-R825 PolarHBondContact O-N 3.28Å; M822-M826 PolarHBondContact O-N 3.49Å; M822-V829 HydrophobicContact CB-CG1 4.22Å; M822-V829 HydrophobicContact CG-CG1 4.15Å; M822-V829 HydrophobicContact SD-CG1 4.37Å |
| 823 | K | 85.1 | Confident | 85.9 | Confident | 162 Ų | 162 | 66.2 Ų | 66.2 | 70% | 0.704 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.3 | -35.7 | 176.9 | -170.4 | -179.9 | 179.3 | -177 | 0 | 112.6 | G819 L820 N821 R825 | G819-K823 PolarHBondContact O-N 3.03Å; G819-K823 VanDerWaalsContact O-N 3.1Å; L820-K823 WeakPolarHBondContact O-CB 3.37Å; L820-K823 PolarHBondContact O-N 2.75Å; N821-K823 VanDerWaalsContact C-N 3.28Å; N821-K823 PolarHBondContact O-N 3.4Å; K823-R825 VanDerWaalsContact C-N 3.27Å; K823-R825 PolarHBondContact O-N 2.8Å |
| 824 | L | 84.9 | Confident | 85.5 | Confident | 150 Ų | 150 | 66.5 Ų | 66.5 | 79% | 0.785 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.5 | -28.4 | 176 | -66.8 | 172.4 | 0 | 0 | 0 | 112.3 | L820 N821 M822 | L820-L824 PolarHBondContact O-N 2.83Å; N821-L824 PolarHBondContact O-N 3.2Å; M822-L824 VanDerWaalsContact C-N 3.35Å; M822-L824 PolarHBondContact O-N 3.4Å |
| 825 | R | 81.1 | Confident | 85.2 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 44% | 0.438 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 29.8 | 179.4 | -62.1 | -175.1 | -175.7 | 149.9 | 10.6 | 112.9 | E783 E787 N821 M822 K823 G827 K828 V829 | E783-R825 IonicContact OE2-CZ 2.81Å; E783-R825 IonicContact OE2-NH1 3.03Å; E783-R825 PolarHBondContact OE2-NH1 3.32Å; E783-R825 IonicContact OE2-NH2 3.82Å; E783-R825 PolarHBondContact OE2-NH2 2.77Å; E787-R825 IonicContact OE1-NH1 3.7Å; N821-R825 PolarHBondContact O-N 3.04Å; M822-R825 CarbonylContact O-C 3.59Å; M822-R825 PolarHBondContact O-N 3.28Å; K823-R825 VanDerWaalsContact C-N 3.27Å; K823-R825 PolarHBondContact O-N 2.8Å; R825-G827 PolarHBondContact O-N 3.28Å; R825-G827 VanDerWaalsContact O-N 3.09Å; R825-K828 PolarHBondContact O-N 3.46Å; R825-V829 HydrophobicContact CB-CG2 4.17Å; R825-V829 PolarHBondContact O-N 3.12Å; R825-V829 VanDerWaalsContact O-N 3.12Å |
| 826 | M | 79.7 | Confident | 85 | Confident | 120 Ų | 120 | 65 Ų | 65 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -55.1 | -35.7 | -170.7 | -167.2 | 172 | -178.4 | 0 | 0 | 113.4 | M822 K828 V829 S830 | M822-M826 PolarHBondContact O-N 3.49Å; M826-K828 VanDerWaalsContact C-N 3.3Å; M826-K828 PolarHBondContact O-N 3.5Å; M826-V829 PolarHBondContact O-N 2.77Å; M826-S830 WeakPolarHBondContact O-CA 3.31Å; M826-S830 WeakPolarHBondContact O-CB 3.46Å; M826-S830 PolarHBondContact O-N 2.96Å |
| 827 | G | 73.2 | Confident | 84.6 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.7 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R825 | R825-G827 PolarHBondContact O-N 3.28Å; R825-G827 VanDerWaalsContact O-N 3.09Å |
| 828 | K | 77.9 | Confident | 84.2 | Confident | 142 Ų | 142 | 61 Ų | 61 | 62% | 0.617 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -85.9 | -31.6 | 179 | -65.1 | -166.5 | 176.1 | -159.6 | 0 | 113.3 | E604 R825 M826 P831 | E604-K828 IonicContact OE1-NZ 3.54Å; E604-K828 PolarHBondContact OE1-NZ 2.8Å; R825-K828 PolarHBondContact O-N 3.46Å; M826-K828 VanDerWaalsContact C-N 3.3Å; M826-K828 PolarHBondContact O-N 3.5Å; K828-P831 WeakPolarHBondContact O-CD 3.28Å |
| 829 | V | 82.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -91.9 | -17.9 | -173.8 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | E787 M822 R825 M826 P831 A832 I833 | E787-V829 HydrophobicContact CG-CG2 4.12Å; M822-V829 HydrophobicContact CB-CG1 4.22Å; M822-V829 HydrophobicContact CG-CG1 4.15Å; M822-V829 HydrophobicContact SD-CG1 4.37Å; R825-V829 HydrophobicContact CB-CG2 4.17Å; R825-V829 PolarHBondContact O-N 3.12Å; R825-V829 VanDerWaalsContact O-N 3.12Å; M826-V829 PolarHBondContact O-N 2.77Å; V829-P831 VanDerWaalsContact C-N 3.34Å; V829-A832 PolarHBondContact O-N 2.82Å; V829-A832 VanDerWaalsContact O-N 3.09Å; V829-I833 HydrophobicContact CG1-CD1 3.85Å; V829-I833 HydrophobicContact CG1-CG1 4.04Å; V829-I833 PolarHBondContact O-N 2.89Å; V829-I833 VanDerWaalsContact O-N 3.14Å |
| 830 | S | 83 | Confident | 83.6 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -48.1 | -43.9 | 177.9 | 175 | 0 | 0 | 0 | 0 | 114.2 | M826 A832 I833 T834 | M826-S830 WeakPolarHBondContact O-CA 3.31Å; M826-S830 WeakPolarHBondContact O-CB 3.46Å; M826-S830 PolarHBondContact O-N 2.96Å; S830-A832 VanDerWaalsContact C-N 3.35Å; S830-A832 PolarHBondContact O-N 2.91Å; S830-I833 PolarHBondContact O-N 2.89Å; S830-T834 VanDerWaalsContact O-CB 3.31Å; S830-T834 WeakPolarHBondContact O-CB 3.37Å; S830-T834 PolarHBondContact O-N 2.84Å; S830-T834 PolarHBondContact O-OG1 3.22Å |
| 831 | P | 83.8 | Confident | 83.2 | Confident | 20 Ų | 20 | 58 Ų | 58 | 13% | 0.13 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 179.8 | -22.6 | 35 | 0 | 0 | 0 | 113 | P601 T700 K828 V829 T834 K835 | P601-P831 HydrophobicContact CB-CG 4.16Å; T700-P831 VanDerWaalsContact O-CB 3.29Å; T700-P831 WeakPolarHBondContact O-CB 3.47Å; K828-P831 WeakPolarHBondContact O-CD 3.28Å; V829-P831 VanDerWaalsContact C-N 3.34Å; P831-T834 PolarHBondContact O-N 2.85Å; P831-K835 WeakPolarHBondContact O-CB 3.17Å; P831-K835 PolarHBondContact O-N 2.96Å |
| 832 | A | 83.8 | Confident | 82.7 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -46 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | V829 S830 T834 K835 V836 | V829-A832 PolarHBondContact O-N 2.82Å; V829-A832 VanDerWaalsContact O-N 3.09Å; S830-A832 VanDerWaalsContact C-N 3.35Å; S830-A832 PolarHBondContact O-N 2.91Å; A832-T834 VanDerWaalsContact C-N 3.34Å; A832-T834 PolarHBondContact O-N 2.8Å; A832-K835 PolarHBondContact O-N 2.74Å; A832-V836 WeakPolarHBondContact O-CG2 3.3Å; A832-V836 PolarHBondContact O-N 2.82Å |
| 833 | I | 86.7 | Confident | 82.3 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.7 | -66.7 | 168.1 | 0 | 0 | 0 | 110.5 | L790 V829 S830 K835 V836 L837 | L790-I833 HydrophobicContact CD2-CG1 4.29Å; V829-I833 HydrophobicContact CG1-CD1 3.85Å; V829-I833 HydrophobicContact CG1-CG1 4.04Å; V829-I833 PolarHBondContact O-N 2.89Å; V829-I833 VanDerWaalsContact O-N 3.14Å; S830-I833 PolarHBondContact O-N 2.89Å; I833-K835 VanDerWaalsContact C-N 3.3Å; I833-K835 PolarHBondContact O-N 3.18Å; I833-V836 PolarHBondContact O-N 3.07Å; I833-L837 HydrophobicContact CG2-CD1 3.98Å; I833-L837 HydrophobicContact CG2-CG 4.34Å; I833-L837 WeakPolarHBondContact O-CG 3.34Å; I833-L837 PolarHBondContact O-N 3.46Å |
| 834 | T | 86.4 | Confident | 82 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 179.1 | -58 | 0 | 0 | 0 | 0 | 111.5 | P369 P699 T700 S830 P831 A832 L837 Q838 | P369-T834 WeakPolarHBondContact O-CG2 3.24Å; P699-T834 HydrophobicContact CB-CG2 4.06Å; T700-T834 HydrophobicContact CG2-CG2 4.17Å; S830-T834 VanDerWaalsContact O-CB 3.31Å; S830-T834 WeakPolarHBondContact O-CB 3.37Å; S830-T834 PolarHBondContact O-N 2.84Å; S830-T834 PolarHBondContact O-OG1 3.22Å; P831-T834 PolarHBondContact O-N 2.85Å; A832-T834 VanDerWaalsContact C-N 3.34Å; A832-T834 PolarHBondContact O-N 2.8Å; T834-L837 PolarHBondContact O-N 2.85Å; T834-Q838 WeakPolarHBondContact O-CB 3.39Å; T834-Q838 PolarHBondContact O-N 2.78Å |
| 835 | K | 84.9 | Confident | 81.5 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 175.1 | -177 | 62.6 | 178 | -177.2 | 0 | 112 | T700 G794 P831 A832 I833 L837 Q838 S839 | T700-K835 HydrophobicContact CG2-CB 4.03Å; T700-K835 HydrophobicContact CG2-CD 4.1Å; G794-K835 VanDerWaalsContact O-CE 3.26Å; G794-K835 WeakPolarHBondContact O-CE 3.24Å; G794-K835 WeakPolarHBondContact O-CG 3.41Å; P831-K835 WeakPolarHBondContact O-CB 3.17Å; P831-K835 PolarHBondContact O-N 2.96Å; A832-K835 PolarHBondContact O-N 2.74Å; I833-K835 VanDerWaalsContact C-N 3.3Å; I833-K835 PolarHBondContact O-N 3.18Å; K835-L837 PolarHBondContact O-N 2.83Å; K835-Q838 WeakPolarHBondContact O-CB 3.44Å; K835-Q838 PolarHBondContact O-N 3.42Å; K835-S839 PolarHBondContact O-N 3.44Å; K835-S839 PolarHBondContact O-OG 3.2Å |
| 836 | V | 86 | Confident | 81 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | L790 L798 V811 A832 I833 Q838 S839 L840 | L790-V836 HydrophobicContact CD1-CG2 3.97Å; L790-V836 HydrophobicContact CG-CG2 4.16Å; L790-V836 WeakPolarHBondContact O-CG2 3.05Å; L798-V836 HydrophobicContact CD2-CG1 4.36Å; V811-V836 HydrophobicContact CG1-CG1 4.06Å; V811-V836 HydrophobicContact CG2-CG1 4.27Å; A832-V836 WeakPolarHBondContact O-CG2 3.3Å; A832-V836 PolarHBondContact O-N 2.82Å; I833-V836 PolarHBondContact O-N 3.07Å; V836-Q838 VanDerWaalsContact C-N 3.32Å; V836-Q838 PolarHBondContact O-N 3.24Å; V836-S839 PolarHBondContact O-N 3.04Å; V836-L840 HydrophobicContact CG1-CD1 3.94Å; V836-L840 HydrophobicContact CG1-CG 4.31Å; V836-L840 WeakPolarHBondContact O-CB 3.36Å; V836-L840 VanDerWaalsContact O-CG 3.27Å; V836-L840 WeakPolarHBondContact O-CG 3.33Å; V836-L840 PolarHBondContact O-N 3.4Å |
| 837 | L | 85.5 | Confident | 80.8 | Confident | 97 Ų | 97 | 50.9 Ų | 50.9 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.6 | -71.4 | 172.9 | 0 | 0 | 0 | 112.5 | I833 T834 K835 K841 | I833-L837 HydrophobicContact CG2-CD1 3.98Å; I833-L837 HydrophobicContact CG2-CG 4.34Å; I833-L837 WeakPolarHBondContact O-CG 3.34Å; I833-L837 PolarHBondContact O-N 3.46Å; T834-L837 PolarHBondContact O-N 2.85Å; K835-L837 PolarHBondContact O-N 2.83Å; L837-K841 VanDerWaalsContact O-CB 3.29Å; L837-K841 WeakPolarHBondContact O-CB 3.49Å; L837-K841 PolarHBondContact O-N 2.89Å |
| 838 | Q | 83.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -55.5 | 174.5 | -175.2 | -175.1 | 13.8 | 0 | 0 | 110.6 | N370 G371 A372 T834 K835 V836 L840 K841 L842 | N370-Q838 VanDerWaalsContact O-CB 3.28Å; N370-Q838 WeakPolarHBondContact O-CB 3.32Å; N370-Q838 VanDerWaalsContact O-CD 3.3Å; N370-Q838 WeakPolarHBondContact O-CG 3Å; G371-Q838 PolarHBondContact O-NE2 3.47Å; A372-Q838 HydrophobicContact CB-CG 4.08Å; T834-Q838 WeakPolarHBondContact O-CB 3.39Å; T834-Q838 PolarHBondContact O-N 2.78Å; K835-Q838 WeakPolarHBondContact O-CB 3.44Å; K835-Q838 PolarHBondContact O-N 3.42Å; V836-Q838 VanDerWaalsContact C-N 3.32Å; V836-Q838 PolarHBondContact O-N 3.24Å; Q838-L840 VanDerWaalsContact C-N 3.35Å; Q838-L840 PolarHBondContact O-N 2.58Å; Q838-K841 PolarHBondContact O-N 2.96Å; Q838-L842 HydrophobicContact CG-CD1 4.11Å; Q838-L842 WeakPolarHBondContact O-CG 3.41Å; Q838-L842 PolarHBondContact O-N 2.78Å |
| 839 | S | 82.4 | Confident | 80.1 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | -177.9 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | G794 K835 V836 L842 R843 | G794-S839 PolarHBondContact O-OG 3.35Å; K835-S839 PolarHBondContact O-N 3.44Å; K835-S839 PolarHBondContact O-OG 3.2Å; V836-S839 PolarHBondContact O-N 3.04Å; S839-L842 PolarHBondContact O-N 3.27Å; S839-R843 WeakPolarHBondContact O-CG 3.46Å; S839-R843 PolarHBondContact O-N 3.35Å |
| 840 | L | 84.1 | Confident | 79.1 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 173.1 | -72.8 | 176 | 0 | 0 | 0 | 112.5 | L798 L808 V836 Q838 L842 R843 Q844 | L798-L840 HydrophobicContact CD1-CD2 4.25Å; L798-L840 HydrophobicContact CD2-CD2 3.67Å; L798-L840 HydrophobicContact CD2-CG 3.73Å; L798-L840 HydrophobicContact CG-CD2 4.32Å; L808-L840 HydrophobicContact CD2-CD2 3.4Å; V836-L840 HydrophobicContact CG1-CD1 3.94Å; V836-L840 HydrophobicContact CG1-CG 4.31Å; V836-L840 WeakPolarHBondContact O-CB 3.36Å; V836-L840 VanDerWaalsContact O-CG 3.27Å; V836-L840 WeakPolarHBondContact O-CG 3.33Å; V836-L840 PolarHBondContact O-N 3.4Å; Q838-L840 VanDerWaalsContact C-N 3.35Å; Q838-L840 PolarHBondContact O-N 2.58Å; L840-L842 VanDerWaalsContact C-N 3.34Å; L840-L842 PolarHBondContact O-N 3.35Å; L840-R843 PolarHBondContact O-N 2.74Å; L840-Q844 WeakPolarHBondContact O-CB 3.34Å; L840-Q844 PolarHBondContact O-N 2.86Å |
| 841 | K | 79.2 | Confident | 78.1 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | -179.7 | -169.9 | 170.7 | 179.7 | -179.1 | 0 | 111.6 | L837 Q838 K845 | L837-K841 VanDerWaalsContact O-CB 3.29Å; L837-K841 WeakPolarHBondContact O-CB 3.49Å; L837-K841 PolarHBondContact O-N 2.89Å; Q838-K841 PolarHBondContact O-N 2.96Å; K841-K845 WeakPolarHBondContact O-CG 3.43Å; K841-K845 PolarHBondContact O-N 2.78Å |
| 842 | L | 76.4 | Confident | 77 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 172.6 | -74 | 167.9 | 0 | 0 | 0 | 111 | D389 Q838 S839 L840 K845 A846 | D389-L842 WeakPolarHBondContact OD2-CD1 3.17Å; Q838-L842 HydrophobicContact CG-CD1 4.11Å; Q838-L842 WeakPolarHBondContact O-CG 3.41Å; Q838-L842 PolarHBondContact O-N 2.78Å; S839-L842 PolarHBondContact O-N 3.27Å; L840-L842 VanDerWaalsContact C-N 3.34Å; L840-L842 PolarHBondContact O-N 3.35Å; L842-K845 WeakPolarHBondContact O-CB 3.21Å; L842-K845 PolarHBondContact O-N 2.97Å; L842-A846 PolarHBondContact O-N 3.43Å |
| 843 | R | 77.8 | Confident | 75.6 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.7 | -74.5 | -66.7 | -170.3 | 147.3 | 7.4 | 113.1 | L798 A799 S801 L804 S839 L840 K845 A846 L847 | L798-R843 WeakPolarHBondContact O-CG 3.28Å; L798-R843 PolarHBondContact O-NE 3.12Å; L798-R843 PolarHBondContact O-NH2 3.39Å; A799-R843 VanDerWaalsContact O-CZ 3.27Å; A799-R843 PolarHBondContact O-NE 3.4Å; A799-R843 PolarHBondContact O-NH2 3.13Å; S801-R843 PolarHBondContact O-NH1 2.73Å; S801-R843 PolarHBondContact O-NH2 3.37Å; L804-R843 HydrophobicContact CD1-CB 4.35Å; L804-R843 HydrophobicContact CD1-CG 4.14Å; S839-R843 WeakPolarHBondContact O-CG 3.46Å; S839-R843 PolarHBondContact O-N 3.35Å; L840-R843 PolarHBondContact O-N 2.74Å; R843-K845 VanDerWaalsContact C-N 3.29Å; R843-K845 PolarHBondContact O-N 2.9Å; R843-A846 PolarHBondContact O-N 3.23Å; R843-A846 VanDerWaalsContact O-N 3.15Å; R843-L847 WeakPolarHBondContact O-CB 3.35Å; R843-L847 WeakPolarHBondContact O-CG 3.29Å; R843-L847 PolarHBondContact O-N 3.32Å |
| 844 | Q | 79.5 | Confident | 74 | Confident | 139 Ų | 139 | 77.1 Ų | 77.1 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.4 | -44 | 175 | -174.3 | -174.7 | 8.2 | 0 | 0 | 111 | L840 L847 S848 | L840-Q844 WeakPolarHBondContact O-CB 3.34Å; L840-Q844 PolarHBondContact O-N 2.86Å; Q844-L847 PolarHBondContact O-N 3.41Å; Q844-S848 WeakPolarHBondContact O-CB 3.36Å; Q844-S848 PolarHBondContact O-N 3.06Å; Q844-S848 PolarHBondContact O-OG 3.38Å |
| 845 | K | 72.8 | Confident | 72.8 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174 | -75.9 | -179.8 | 178.7 | -173.9 | 0 | 111.4 | K841 L842 R843 L847 S848 R849 | K841-K845 WeakPolarHBondContact O-CG 3.43Å; K841-K845 PolarHBondContact O-N 2.78Å; L842-K845 WeakPolarHBondContact O-CB 3.21Å; L842-K845 PolarHBondContact O-N 2.97Å; R843-K845 VanDerWaalsContact C-N 3.29Å; R843-K845 PolarHBondContact O-N 2.9Å; K845-L847 PolarHBondContact O-N 3.45Å; K845-S848 WeakPolarHBondContact CA-OG 3.2Å; K845-S848 PolarHBondContact O-N 3.34Å; K845-S848 PolarHBondContact O-OG 2.79Å; K845-R849 WeakPolarHBondContact O-CG 3.2Å; K845-R849 PolarHBondContact O-N 3.07Å |
| 846 | A | 72.4 | Confident | 71.4 | Confident | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L842 R843 R849 M850 | L842-A846 PolarHBondContact O-N 3.43Å; R843-A846 PolarHBondContact O-N 3.23Å; R843-A846 VanDerWaalsContact O-N 3.15Å; A846-R849 PolarHBondContact O-N 2.92Å; A846-M850 WeakPolarHBondContact O-CG 3.29Å; A846-M850 PolarHBondContact O-N 3.06Å |
| 847 | L | 75.3 | Confident | 69.9 | Low | 86 Ų | 86 | 89.8 Ų | 89.8 | 45% | 0.45 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.4 | -71.1 | 173.2 | 0 | 0 | 0 | 112.2 | L804 R843 Q844 K845 R849 M850 Q851 | L804-L847 HydrophobicContact CD2-CD1 3.7Å; R843-L847 WeakPolarHBondContact O-CB 3.35Å; R843-L847 WeakPolarHBondContact O-CG 3.29Å; R843-L847 PolarHBondContact O-N 3.32Å; Q844-L847 PolarHBondContact O-N 3.41Å; K845-L847 PolarHBondContact O-N 3.45Å; L847-R849 VanDerWaalsContact C-N 3.31Å; L847-R849 PolarHBondContact O-N 3.38Å; L847-M850 PolarHBondContact O-N 2.82Å; L847-Q851 PolarHBondContact O-N 3.09Å |
| 848 | S | 70.5 | Confident | 68.6 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 176.4 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | Q844 K845 Q851 V852 | Q844-S848 WeakPolarHBondContact O-CB 3.36Å; Q844-S848 PolarHBondContact O-N 3.06Å; Q844-S848 PolarHBondContact O-OG 3.38Å; K845-S848 WeakPolarHBondContact CA-OG 3.2Å; K845-S848 PolarHBondContact O-N 3.34Å; K845-S848 PolarHBondContact O-OG 2.79Å; S848-Q851 PolarHBondContact O-N 2.76Å; S848-V852 WeakPolarHBondContact O-CG2 3.09Å; S848-V852 PolarHBondContact O-N 2.86Å |
| 849 | R | 64.6 | Low | 67.5 | Low | 171 Ų | 171 | 91.3 Ų | 91.3 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 173 | -72.4 | 177.8 | -178.3 | 175.8 | -1.3 | 111.1 | K845 A846 L847 Q851 V852 H853 | K845-R849 WeakPolarHBondContact O-CG 3.2Å; K845-R849 PolarHBondContact O-N 3.07Å; A846-R849 PolarHBondContact O-N 2.92Å; L847-R849 VanDerWaalsContact C-N 3.31Å; L847-R849 PolarHBondContact O-N 3.38Å; R849-Q851 VanDerWaalsContact C-N 3.3Å; R849-Q851 PolarHBondContact O-N 2.86Å; R849-V852 PolarHBondContact O-N 2.79Å; R849-H853 WeakPolarHBondContact O-CB 3.31Å; R849-H853 PolarHBondContact O-CD2 2.89Å; R849-H853 PolarHBondContact O-N 2.86Å |
| 850 | M | 63 | Low | 66.3 | Low | 129 Ų | 129 | 97.1 Ų | 97.1 | 64% | 0.635 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | 175.8 | -70.6 | -127.7 | -67 | 0 | 0 | 112.4 | A846 L847 H853 R854 | A846-M850 WeakPolarHBondContact O-CG 3.29Å; A846-M850 PolarHBondContact O-N 3.06Å; L847-M850 PolarHBondContact O-N 2.82Å; M850-H853 PolarHBondContact O-N 3.38Å; M850-R854 WeakPolarHBondContact O-CB 3.29Å; M850-R854 PolarHBondContact O-N 2.86Å |
| 851 | Q | 60.9 | Low | 65 | Low | 113 Ų | 113 | 103.1 Ų | 103.1 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.1 | -173.4 | 175.5 | 1.8 | 0 | 0 | 111.3 | L847 S848 R849 R854 Y855 | L847-Q851 PolarHBondContact O-N 3.09Å; S848-Q851 PolarHBondContact O-N 2.76Å; R849-Q851 VanDerWaalsContact C-N 3.3Å; R849-Q851 PolarHBondContact O-N 2.86Å; Q851-R854 PolarHBondContact O-N 2.83Å; Q851-Y855 HydrophobicContact CG-CD2 4.04Å; Q851-Y855 HydrophobicContact CG-CE2 3.62Å; Q851-Y855 WeakPolarHBondContact O-CD2 3.27Å; Q851-Y855 PolarHBondContact O-N 2.82Å |
| 852 | V | 60.3 | Low | 64.3 | Low | 98 Ų | 98 | 105.3 Ų | 105.3 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 173.9 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | S848 R849 R854 Y855 S856 | S848-V852 WeakPolarHBondContact O-CG2 3.09Å; S848-V852 PolarHBondContact O-N 2.86Å; R849-V852 PolarHBondContact O-N 2.79Å; V852-R854 VanDerWaalsContact C-N 3.31Å; V852-R854 PolarHBondContact O-N 2.82Å; V852-Y855 PolarHBondContact O-N 3.17Å; V852-S856 PolarHBondContact O-N 3.28Å |
| 853 | H | 55.6 | Low | 63.6 | Low | 113 Ų | 113 | 105.5 Ų | 105.5 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 175 | -81 | -66 | 0 | 0 | 0 | 112.3 | R849 M850 S856 L857 | R849-H853 WeakPolarHBondContact O-CB 3.31Å; R849-H853 PolarHBondContact O-CD2 2.89Å; R849-H853 PolarHBondContact O-N 2.86Å; M850-H853 PolarHBondContact O-N 3.38Å; H853-S856 PolarHBondContact O-N 3.34Å; H853-S856 PolarHBondContact O-OG 2.74Å; H853-S856 VanDerWaalsContact O-OG 3.12Å; H853-L857 WeakPolarHBondContact O-CB 3.26Å; H853-L857 WeakPolarHBondContact O-CG 3.27Å; H853-L857 PolarHBondContact O-N 3.44Å |
| 854 | R | 52.7 | Low | 62.7 | Low | 181 Ų | 181 | 106.9 Ų | 106.9 | 68% | 0.683 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 175.2 | -173.1 | 177 | 179.9 | 176.9 | -0.2 | 111.4 | M850 Q851 V852 N858 | M850-R854 WeakPolarHBondContact O-CB 3.29Å; M850-R854 PolarHBondContact O-N 2.86Å; Q851-R854 PolarHBondContact O-N 2.83Å; V852-R854 VanDerWaalsContact C-N 3.31Å; V852-R854 PolarHBondContact O-N 2.82Å; R854-N858 VanDerWaalsContact O-CB 3.29Å; R854-N858 WeakPolarHBondContact O-CB 3.43Å; R854-N858 VanDerWaalsContact O-CG 3.25Å; R854-N858 PolarHBondContact O-N 2.72Å; R854-N858 PolarHBondContact O-ND2 3.12Å |
| 855 | Y | 60.1 | Low | 62 | Low | 152 Ų | 152 | 103.2 Ų | 103.2 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 173 | -73.9 | -66.7 | 0 | 0 | 0 | 111.9 | Q851 V852 N858 A859 | Q851-Y855 HydrophobicContact CG-CD2 4.04Å; Q851-Y855 HydrophobicContact CG-CE2 3.62Å; Q851-Y855 WeakPolarHBondContact O-CD2 3.27Å; Q851-Y855 PolarHBondContact O-N 2.82Å; V852-Y855 PolarHBondContact O-N 3.17Å; Y855-N858 PolarHBondContact O-N 3.02Å; Y855-A859 WeakPolarHBondContact O-CB 3.39Å; Y855-A859 PolarHBondContact O-N 3.2Å |
| 856 | S | 57.1 | Low | 61.9 | Low | 60 Ų | 60 | 105.9 Ų | 105.9 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 177.4 | 83.8 | 0 | 0 | 0 | 0 | 112.2 | V852 H853 A859 F860 | V852-S856 PolarHBondContact O-N 3.28Å; H853-S856 PolarHBondContact O-N 3.34Å; H853-S856 PolarHBondContact O-OG 2.74Å; H853-S856 VanDerWaalsContact O-OG 3.12Å; S856-A859 PolarHBondContact O-N 2.97Å; S856-F860 WeakPolarHBondContact O-CB 3.43Å; S856-F860 PolarHBondContact O-N 2.8Å |
| 857 | L | 54.2 | Low | 61.5 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.5 | -40 | 173.5 | -87.7 | 160.2 | 0 | 0 | 0 | 111.2 | H853 F860 R861 | H853-L857 WeakPolarHBondContact O-CB 3.26Å; H853-L857 WeakPolarHBondContact O-CG 3.27Å; H853-L857 PolarHBondContact O-N 3.44Å; L857-F860 PolarHBondContact O-N 2.85Å; L857-R861 WeakPolarHBondContact O-CB 3.23Å; L857-R861 PolarHBondContact O-N 3.32Å |
| 858 | N | 57.6 | Low | 61.1 | Low | 77 Ų | 77 | 112 Ų | 112 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 172.7 | -79.1 | -18 | 0 | 0 | 0 | 111.1 | R854 Y855 R861 I862 | R854-N858 VanDerWaalsContact O-CB 3.29Å; R854-N858 WeakPolarHBondContact O-CB 3.43Å; R854-N858 VanDerWaalsContact O-CG 3.25Å; R854-N858 PolarHBondContact O-N 2.72Å; R854-N858 PolarHBondContact O-ND2 3.12Å; Y855-N858 PolarHBondContact O-N 3.02Å; N858-R861 PolarHBondContact O-N 3.31Å; N858-I862 WeakPolarHBondContact O-CB 3.41Å; N858-I862 WeakPolarHBondContact O-CD1 3.47Å; N858-I862 WeakPolarHBondContact O-CG1 3.43Å; N858-I862 PolarHBondContact O-N 2.72Å |
| 859 | A | 61.5 | Low | 61 | Low | 58 Ų | 58 | 113.6 Ų | 113.6 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y855 S856 I862 S863 | Y855-A859 WeakPolarHBondContact O-CB 3.39Å; Y855-A859 PolarHBondContact O-N 3.2Å; S856-A859 PolarHBondContact O-N 2.97Å; A859-I862 PolarHBondContact O-N 3.42Å; A859-S863 WeakPolarHBondContact O-CB 3.17Å; A859-S863 PolarHBondContact O-N 3.41Å |
| 860 | F | 55.8 | Low | 61.2 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 55% | 0.548 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176 | -174.2 | -102.2 | 0 | 0 | 0 | 110.6 | S856 L857 I862 S863 L864 | S856-F860 WeakPolarHBondContact O-CB 3.43Å; S856-F860 PolarHBondContact O-N 2.8Å; L857-F860 PolarHBondContact O-N 2.85Å; F860-I862 VanDerWaalsContact C-N 3.34Å; F860-I862 PolarHBondContact O-N 3.35Å; F860-S863 WeakPolarHBondContact CA-OG 3.11Å; F860-S863 CarbonylContact O-C 3.54Å; F860-S863 PolarHBondContact O-N 2.87Å; F860-S863 VanDerWaalsContact O-N 3.12Å; F860-S863 PolarHBondContact O-OG 3.24Å; F860-L864 HydrophobicContact CD1-CD1 4.49Å; F860-L864 HydrophobicContact CE1-CD1 3.66Å; F860-L864 HydrophobicContact CZ-CD1 3.7Å; F860-L864 VanDerWaalsContact O-CB 3.27Å; F860-L864 WeakPolarHBondContact O-CB 3.28Å; F860-L864 PolarHBondContact O-N 2.66Å |
| 861 | R | 58 | Low | 61.7 | Low | 176 Ų | 176 | 106.3 Ų | 106.3 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 175.1 | -178.4 | 178.4 | 155.8 | 155.6 | -2.6 | 111.9 | L857 N858 S865 | L857-R861 WeakPolarHBondContact O-CB 3.23Å; L857-R861 PolarHBondContact O-N 3.32Å; N858-R861 PolarHBondContact O-N 3.31Å; R861-S865 WeakPolarHBondContact O-CB 3.29Å; R861-S865 PolarHBondContact O-N 2.86Å |
| 862 | I | 64.5 | Low | 62.3 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -44.7 | 173 | -69.3 | 162.6 | 0 | 0 | 0 | 110.3 | N858 A859 F860 L864 S865 F866 | N858-I862 WeakPolarHBondContact O-CB 3.41Å; N858-I862 WeakPolarHBondContact O-CD1 3.47Å; N858-I862 WeakPolarHBondContact O-CG1 3.43Å; N858-I862 PolarHBondContact O-N 2.72Å; A859-I862 PolarHBondContact O-N 3.42Å; F860-I862 VanDerWaalsContact C-N 3.34Å; F860-I862 PolarHBondContact O-N 3.35Å; I862-L864 PolarHBondContact O-N 2.89Å; I862-S865 PolarHBondContact O-N 3.32Å; I862-F866 VanDerWaalsContact O-CB 3.32Å; I862-F866 WeakPolarHBondContact O-CB 3.47Å; I862-F866 PolarHBondContact O-N 3.44Å |
| 863 | S | 61.6 | Low | 62.5 | Low | 56 Ų | 56 | 111.6 Ų | 111.6 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -36.1 | 178.3 | 77.8 | 0 | 0 | 0 | 0 | 112.9 | A859 F860 F866 R867 | A859-S863 WeakPolarHBondContact O-CB 3.17Å; A859-S863 PolarHBondContact O-N 3.41Å; F860-S863 WeakPolarHBondContact CA-OG 3.11Å; F860-S863 CarbonylContact O-C 3.54Å; F860-S863 PolarHBondContact O-N 2.87Å; F860-S863 VanDerWaalsContact O-N 3.12Å; F860-S863 PolarHBondContact O-OG 3.24Å; S863-F866 PolarHBondContact O-N 2.83Å; S863-R867 WeakPolarHBondContact O-CB 3.32Å; S863-R867 PolarHBondContact O-N 3.49Å |
| 864 | L | 59.6 | Low | 63.3 | Low | 86 Ų | 86 | 110 Ų | 110 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.7 | -43.6 | 177.6 | -156.9 | 107.4 | 0 | 0 | 0 | 109.7 | F860 I862 F866 R867 C868 | F860-L864 HydrophobicContact CD1-CD1 4.49Å; F860-L864 HydrophobicContact CE1-CD1 3.66Å; F860-L864 HydrophobicContact CZ-CD1 3.7Å; F860-L864 VanDerWaalsContact O-CB 3.27Å; F860-L864 WeakPolarHBondContact O-CB 3.28Å; F860-L864 PolarHBondContact O-N 2.66Å; I862-L864 PolarHBondContact O-N 2.89Å; L864-F866 VanDerWaalsContact C-N 3.32Å; L864-F866 PolarHBondContact O-N 2.79Å; L864-R867 PolarHBondContact O-N 3.45Å; L864-C868 VanDerWaalsContact O-CB 3.3Å; L864-C868 WeakPolarHBondContact O-CB 3.2Å; L864-C868 PolarHBondContact O-N 2.89Å; L864-C868 PolarHBondContact O-SG 3.47Å |
| 865 | S | 64.7 | Low | 63.9 | Low | 63 Ų | 63 | 106.3 Ų | 106.3 | 44% | 0.441 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 170.5 | -172.4 | 0 | 0 | 0 | 0 | 111 | R861 I862 C868 D869 | R861-S865 WeakPolarHBondContact O-CB 3.29Å; R861-S865 PolarHBondContact O-N 2.86Å; I862-S865 PolarHBondContact O-N 3.32Å; S865-C868 PolarHBondContact O-N 3.44Å; S865-D869 WeakPolarHBondContact O-CB 3.29Å; S865-D869 PolarHBondContact O-N 3.2Å |
| 866 | F | 70.6 | Confident | 64.2 | Low | 148 Ų | 148 | 101.5 Ų | 101.5 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 178.5 | -174.6 | -93.8 | 0 | 0 | 0 | 112.6 | I862 S863 L864 S870 | I862-F866 VanDerWaalsContact O-CB 3.32Å; I862-F866 WeakPolarHBondContact O-CB 3.47Å; I862-F866 PolarHBondContact O-N 3.44Å; S863-F866 PolarHBondContact O-N 2.83Å; L864-F866 VanDerWaalsContact C-N 3.32Å; L864-F866 PolarHBondContact O-N 2.79Å; F866-S870 VanDerWaalsContact O-CB 3.29Å; F866-S870 WeakPolarHBondContact O-CB 3.3Å; F866-S870 PolarHBondContact O-N 3.36Å; F866-S870 PolarHBondContact O-OG 2.94Å |
| 867 | R | 63.2 | Low | 64.8 | Low | 188 Ų | 188 | 106.2 Ų | 106.2 | 71% | 0.709 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 172.8 | -86.4 | -171.9 | 172.5 | -177.6 | -1.2 | 112 | S863 L864 S870 N871 | S863-R867 WeakPolarHBondContact O-CB 3.32Å; S863-R867 PolarHBondContact O-N 3.49Å; L864-R867 PolarHBondContact O-N 3.45Å; R867-S870 PolarHBondContact O-N 2.82Å; R867-N871 VanDerWaalsContact O-CB 3.29Å; R867-N871 WeakPolarHBondContact O-CB 3.37Å; R867-N871 PolarHBondContact O-N 3.29Å; R867-N871 PolarHBondContact O-ND2 2.78Å |
| 868 | C | 67.1 | Low | 65.6 | Low | 74 Ų | 74 | 106 Ų | 106 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.8 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | L864 S865 N871 K872 | L864-C868 VanDerWaalsContact O-CB 3.3Å; L864-C868 WeakPolarHBondContact O-CB 3.2Å; L864-C868 PolarHBondContact O-N 2.89Å; L864-C868 PolarHBondContact O-SG 3.47Å; S865-C868 PolarHBondContact O-N 3.44Å; C868-N871 PolarHBondContact O-N 2.99Å; C868-K872 PolarHBondContact O-N 3.36Å |
| 869 | D | 67.8 | Low | 66.1 | Low | 89 Ų | 89 | 108.3 Ų | 108.3 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 176.1 | -79.2 | -27.5 | 0 | 0 | 0 | 111.9 | S865 N871 K872 | S865-D869 WeakPolarHBondContact O-CB 3.29Å; S865-D869 PolarHBondContact O-N 3.2Å; D869-N871 VanDerWaalsContact C-N 3.31Å; D869-N871 PolarHBondContact O-N 3.31Å; D869-K872 WeakPolarHBondContact O-CB 3.46Å; D869-K872 PolarHBondContact O-N 3.44Å |
| 870 | S | 69.9 | Low | 66.4 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | F866 R867 | F866-S870 VanDerWaalsContact O-CB 3.29Å; F866-S870 WeakPolarHBondContact O-CB 3.3Å; F866-S870 PolarHBondContact O-N 3.36Å; F866-S870 PolarHBondContact O-OG 2.94Å; R867-S870 PolarHBondContact O-N 2.82Å |
| 871 | N | 72.6 | Confident | 66.8 | Low | 89 Ų | 89 | 106.8 Ų | 106.8 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80 | -16.8 | 179.6 | -70.2 | -14.4 | 0 | 0 | 0 | 113.7 | R867 C868 D869 Y873 T874 L875 | R867-N871 VanDerWaalsContact O-CB 3.29Å; R867-N871 WeakPolarHBondContact O-CB 3.37Å; R867-N871 PolarHBondContact O-N 3.29Å; R867-N871 PolarHBondContact O-ND2 2.78Å; C868-N871 PolarHBondContact O-N 2.99Å; D869-N871 VanDerWaalsContact C-N 3.31Å; D869-N871 PolarHBondContact O-N 3.31Å; N871-Y873 VanDerWaalsContact C-N 3.3Å; N871-Y873 PolarHBondContact O-N 2.87Å; N871-T874 PolarHBondContact O-N 3.21Å; N871-L875 WeakPolarHBondContact O-CB 3.38Å; N871-L875 PolarHBondContact O-N 3.37Å |
| 872 | K | 73.4 | Confident | 66.8 | Low | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.609 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | 179.4 | -172.1 | 179.4 | 179.8 | 178.7 | 0 | 112.4 | C868 D869 S876 | C868-K872 PolarHBondContact O-N 3.36Å; D869-K872 WeakPolarHBondContact O-CB 3.46Å; D869-K872 PolarHBondContact O-N 3.44Å; K872-S876 VanDerWaalsContact O-CB 3.28Å; K872-S876 WeakPolarHBondContact O-CB 3.26Å; K872-S876 PolarHBondContact O-N 2.85Å; K872-S876 PolarHBondContact O-OG 2.95Å |
| 873 | Y | 65.7 | Low | 66.3 | Low | 183 Ų | 183 | 104.4 Ų | 104.4 | 72% | 0.718 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.4 | -39.1 | 176.6 | -71.3 | -79.9 | 0 | 0 | 0 | 111.9 | N871 S876 Y877 | N871-Y873 VanDerWaalsContact C-N 3.3Å; N871-Y873 PolarHBondContact O-N 2.87Å; Y873-S876 WeakPolarHBondContact CA-OG 3.29Å; Y873-S876 PolarHBondContact O-OG 3.46Å; Y873-S876 VanDerWaalsContact O-OG 3.04Å; Y873-Y877 VanDerWaalsContact O-CB 3.27Å; Y873-Y877 WeakPolarHBondContact O-CB 3.27Å; Y873-Y877 PolarHBondContact O-N 2.99Å |
| 874 | T | 70.7 | Confident | 65.7 | Low | 79 Ų | 79 | 111.6 Ų | 111.6 | 49% | 0.485 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.1 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | N871 Y877 L878 | N871-T874 PolarHBondContact O-N 3.21Å; T874-Y877 PolarHBondContact O-N 2.9Å; T874-L878 HydrophobicContact CG2-CD1 4.43Å; T874-L878 VanDerWaalsContact O-CG 3.29Å; T874-L878 WeakPolarHBondContact O-CG 3.39Å; T874-L878 PolarHBondContact O-N 3.04Å |
| 875 | L | 66.8 | Low | 65.4 | Low | 104 Ų | 104 | 112.3 Ų | 112.3 | 55% | 0.545 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.7 | -41.9 | 175.6 | -77.4 | 166.9 | 0 | 0 | 0 | 112.3 | N871 Y877 L878 L879 | N871-L875 WeakPolarHBondContact O-CB 3.38Å; N871-L875 PolarHBondContact O-N 3.37Å; L875-Y877 VanDerWaalsContact C-N 3.33Å; L875-Y877 PolarHBondContact O-N 3.44Å; L875-L878 PolarHBondContact O-N 3.04Å; L875-L879 WeakPolarHBondContact O-CB 3.49Å; L875-L879 WeakPolarHBondContact O-CD1 3.42Å; L875-L879 VanDerWaalsContact O-CG 3.26Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 2.93Å |
| 876 | S | 65.8 | Low | 64.6 | Low | 50 Ų | 50 | 116 Ų | 116 | 35% | 0.35 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.4 | -31.5 | 176.4 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | K872 Y873 N880 | K872-S876 VanDerWaalsContact O-CB 3.28Å; K872-S876 WeakPolarHBondContact O-CB 3.26Å; K872-S876 PolarHBondContact O-N 2.85Å; K872-S876 PolarHBondContact O-OG 2.95Å; Y873-S876 WeakPolarHBondContact CA-OG 3.29Å; Y873-S876 PolarHBondContact O-OG 3.46Å; Y873-S876 VanDerWaalsContact O-OG 3.04Å; S876-N880 WeakPolarHBondContact O-CB 3.38Å; S876-N880 VanDerWaalsContact O-CG 3.31Å; S876-N880 PolarHBondContact O-N 3.3Å; S876-N880 PolarHBondContact O-ND2 3.47Å |
| 877 | Y | 70.6 | Confident | 63.7 | Low | 159 Ų | 159 | 113 Ų | 113 | 62% | 0.624 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -53.6 | 169.3 | 178.1 | -98.8 | 0 | 0 | 0 | 110.9 | Y873 T874 L875 L879 N880 V881 | Y873-Y877 VanDerWaalsContact O-CB 3.27Å; Y873-Y877 WeakPolarHBondContact O-CB 3.27Å; Y873-Y877 PolarHBondContact O-N 2.99Å; T874-Y877 PolarHBondContact O-N 2.9Å; L875-Y877 VanDerWaalsContact C-N 3.33Å; L875-Y877 PolarHBondContact O-N 3.44Å; Y877-L879 VanDerWaalsContact C-N 3.32Å; Y877-L879 PolarHBondContact O-N 3.41Å; Y877-N880 PolarHBondContact O-N 3.35Å; Y877-V881 HydrophobicContact CD1-CG2 4.4Å; Y877-V881 HydrophobicContact CE1-CG2 4.13Å; Y877-V881 WeakPolarHBondContact O-CG2 3.28Å; Y877-V881 PolarHBondContact O-N 3.21Å |
| 878 | L | 69.9 | Low | 63.2 | Low | 104 Ų | 104 | 109.3 Ų | 109.3 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60 | -38.1 | -179.6 | -71.8 | 169.8 | 0 | 0 | 0 | 113 | T874 L875 N880 V881 P882 | T874-L878 HydrophobicContact CG2-CD1 4.43Å; T874-L878 VanDerWaalsContact O-CG 3.29Å; T874-L878 WeakPolarHBondContact O-CG 3.39Å; T874-L878 PolarHBondContact O-N 3.04Å; L875-L878 PolarHBondContact O-N 3.04Å; L878-N880 VanDerWaalsContact C-N 3.28Å; L878-N880 PolarHBondContact O-N 3.34Å; L878-V881 PolarHBondContact O-N 3.49Å; L878-P882 WeakPolarHBondContact O-CD 3.43Å |
| 879 | L | 69.3 | Low | 62.3 | Low | 124 Ų | 124 | 111.5 Ų | 111.5 | 65% | 0.649 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.9 | -21.5 | 176.3 | -73.9 | 166.3 | 0 | 0 | 0 | 113.7 | L875 Y877 P882 | L875-L879 WeakPolarHBondContact O-CB 3.49Å; L875-L879 WeakPolarHBondContact O-CD1 3.42Å; L875-L879 VanDerWaalsContact O-CG 3.26Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 2.93Å; Y877-L879 VanDerWaalsContact C-N 3.32Å; Y877-L879 PolarHBondContact O-N 3.41Å; L879-P882 WeakPolarHBondContact O-CD 3.44Å |
| 880 | N | 67.1 | Low | 61.1 | Low | 82 Ų | 82 | 114.8 Ų | 114.8 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -95.4 | -9.4 | 178.8 | -76.2 | -32.4 | 0 | 0 | 0 | 113.7 | S876 Y877 L878 R883 R884 | S876-N880 WeakPolarHBondContact O-CB 3.38Å; S876-N880 VanDerWaalsContact O-CG 3.31Å; S876-N880 PolarHBondContact O-N 3.3Å; S876-N880 PolarHBondContact O-ND2 3.47Å; Y877-N880 PolarHBondContact O-N 3.35Å; L878-N880 VanDerWaalsContact C-N 3.28Å; L878-N880 PolarHBondContact O-N 3.34Å; N880-R883 PolarHBondContact O-N 3.47Å; N880-R884 PolarHBondContact O-N 3.02Å |
| 881 | V | 64.4 | Low | 59.7 | Low | 69 Ų | 69 | 119.4 Ų | 119.4 | 42% | 0.418 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.5 | -42.7 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | Y877 L878 | Y877-V881 HydrophobicContact CD1-CG2 4.4Å; Y877-V881 HydrophobicContact CE1-CG2 4.13Å; Y877-V881 WeakPolarHBondContact O-CG2 3.28Å; Y877-V881 PolarHBondContact O-N 3.21Å; L878-V881 PolarHBondContact O-N 3.49Å |
| 882 | P | 57.9 | Low | 58.1 | Low | 72 Ų | 72 | 118.1 Ų | 118.1 | 47% | 0.468 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.2 | -35.3 | 178.5 | 0.3 | 7.5 | 0 | 0 | 0 | 113 | L878 L879 R884 V885 E886 | L878-P882 WeakPolarHBondContact O-CD 3.43Å; L879-P882 WeakPolarHBondContact O-CD 3.44Å; P882-R884 VanDerWaalsContact C-N 3.3Å; P882-R884 PolarHBondContact O-N 3.46Å; P882-V885 PolarHBondContact O-N 3.19Å; P882-E886 PolarHBondContact O-N 3.31Å |
| 883 | R | 53 | Low | 56.4 | Low | 177 Ų | 177 | 117 Ų | 117 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.1 | -19.7 | -177 | -74.4 | -178.5 | 174.2 | 167.4 | -2.8 | 114.6 | N880 | N880-R883 PolarHBondContact O-N 3.47Å |
| 884 | R | 50.6 | Low | 55 | Low | 206 Ų | 206 | 113.1 Ų | 113.1 | 78% | 0.777 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.5 | -17.3 | 174.4 | -80.8 | -174.4 | 173.3 | -179.9 | -1.3 | 113.5 | N880 P882 | N880-R884 PolarHBondContact O-N 3.02Å; P882-R884 VanDerWaalsContact C-N 3.3Å; P882-R884 PolarHBondContact O-N 3.46Å |
| 885 | V | 52.7 | Low | 53.5 | Low | 101 Ų | 101 | 117.4 Ų | 117.4 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.3 | -26.4 | 178.5 | -179 | 0 | 0 | 0 | 0 | 111.1 | P882 T888 | P882-V885 PolarHBondContact O-N 3.19Å; V885-T888 PolarHBondContact O-OG1 3.19Å |
| 886 | E | 48.6 | Very low | 52.1 | Low | 142 Ų | 142 | 119.5 Ų | 119.5 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -83.1 | -23.9 | 177.7 | -69.2 | 172.2 | 170.6 | 0 | 0 | 113.2 | P882 T888 | P882-E886 PolarHBondContact O-N 3.31Å; E886-T888 PolarHBondContact O-N 3.41Å |
| 887 | A | 50.7 | Low | 50.7 | Low | 85 Ų | 85 | 121 Ų | 121 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -3.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 888 | T | 52.7 | Low | 49 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -4.1 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | V885 E886 | V885-T888 PolarHBondContact O-OG1 3.19Å; E886-T888 PolarHBondContact O-N 3.41Å |
| 889 | N | 47.5 | Very low | 47.4 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | -16.2 | -164.9 | -77.8 | -2.3 | 0 | 0 | 0 | 118.3 | ||
| 890 | D | 43.4 | Very low | 45.7 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | trans | -124.3 | 91.9 | -171.8 | -71.2 | -39.7 | 0 | 0 | 0 | 114.5 | ||||
| 891 | V | 39.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | trans | -88.5 | 112 | 153.8 | 173.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 892 | G | 39.4 | Very low | 42.8 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | trans | 158.1 | 88.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 893 | S | 38.3 | Very low | 41.5 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 58 | 99.6 | 144.8 | 57.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 894 | S | 35.6 | Very low | 40.6 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -7.9 | 136.9 | 132.3 | 54.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 895 | E | 39.3 | Very low | 39.9 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | -176.2 | 136.7 | 100.4 | -95.9 | 175.8 | -177.4 | 0 | 0 | 111.9 | |||||
| 896 | D | 38.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 71.6 | 141.3 | 153 | -50.2 | -20.3 | 0 | 0 | 0 | 122.8 | ||||
| 897 | A | 36.5 | Very low | 38.1 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -175.5 | 148.2 | -26.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 898 | E | 34.3 | Very low | 37.1 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 72.6 | 90.6 | 152.3 | -69 | 175.6 | -171.6 | 0 | 0 | 121 | ||||
| 899 | I | 35.1 | Very low | 36 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | trans | -140.4 | 101 | 132.8 | -58.2 | -178.3 | 0 | 0 | 0 | 108.1 | ||||
| 900 | D | 34.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -130.1 | 116.6 | 160.8 | -117.4 | -11.1 | 0 | 0 | 0 | 106.7 | ||||
| 901 | N | 37.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | 168.3 | 126.4 | 114.7 | -91 | -42.1 | 0 | 0 | 0 | 114.5 | |||||
| 902 | L | 32.8 | Very low | 34.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 67% | 0.665 | 80% | 0.8 | S | S | * | * | 80.9 | 106.1 | 128.6 | -65.7 | 163.7 | 0 | 0 | 0 | 119.8 | |||||
| 903 | M | 31.1 | Very low | 34.6 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | 50.6 | 111.1 | 122.1 | -63.6 | -173.3 | -167.2 | 0 | 0 | 117.1 | |||||
| 904 | D | 34.3 | Very low | 34.4 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | -153.1 | 131.6 | 114.4 | -101.8 | -27.2 | 0 | 0 | 0 | 112.6 | |||||
| 905 | T | 36.2 | Very low | 34.3 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 68% | 0.681 | 81% | 0.813 | S | S | * | * | trans | -68.5 | 142.9 | 173.4 | 47 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 906 | N | 31.7 | Very low | 34 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | 143.6 | 127.8 | 139 | -72.4 | -30.8 | 0 | 0 | 0 | 111.5 | ||||
| 907 | G | 31.1 | Very low | 33.7 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 140.1 | 37.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 908 | L | 30.2 | Very low | 33.5 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 97% | 0.969 | 83% | 0.826 | S | S | * | * | trans | -136.1 | 79 | 162.3 | -82.6 | 165.5 | 0 | 0 | 0 | 109.6 | ||||
| 909 | S | 28.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -139.6 | 142.6 | 161.2 | 64.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 910 | S | 32.5 | Very low | 33.4 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | 76 | 109.2 | -164.2 | 78.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 911 | V | 39.5 | Very low | 33.3 | Very low | 147 Ų | 147 | 139 Ų | 139 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | -136.7 | 122.9 | 59.4 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 912 | V | 33.9 | Very low | 32.9 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 100% | 1.188 | 84% | 0.836 | S | S | * | * | trans | -87.2 | 0 | 162.1 | 167.9 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 912 of 912 residues in 1697.3 ms
(Link to these results)