| 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 | 62.9 | Low | 80.5 | Confident | 44 Ų | 44 | 39.2 Ų | 39.2 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | 0 | 164.3 | 0 | 169.4 | -161 | -158.6 | 0 | 0 | 112.3 | L3 F5 D598 F691 G695 T883 | M1-L3 HydrophobicContact SD-CD2 4.49Å; M1-F5 HydrophobicContact CE-CE1 4.37Å; M1-F5 HydrophobicContact CE-CZ 3.6Å; M1-F5 HydrophobicContact SD-CZ 4.35Å; M1-D598 WeakPolarHBondContact CB-OD2 3.45Å; M1-D598 PolarHBondContact N-OD2 2.93Å; M1-F691 HydrophobicContact CE-CD1 4.25Å; M1-F691 HydrophobicContact CE-CE1 4.31Å; M1-G695 WeakPolarHBondContact CE-O 3.47Å; M1-T883 HydrophobicContact CB-CG2 4.18Å | |||
| 2 | R | 68.9 | Low | 80.6 | Confident | 55 Ų | 55 | 36.1 Ų | 36.1 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | trans | -73.8 | 136.3 | 169.5 | -71.1 | -179.2 | 170.8 | 162.8 | 2.4 | 111 | L711 S713 D737 | R2-L711 HydrophobicContact CB-CD1 3.77Å; R2-L711 HydrophobicContact CB-CD2 3.97Å; R2-L711 WeakPolarHBondContact O-CD2 3.48Å; R2-S713 PolarHBondContact NH1-OG 2.92Å; R2-D737 IonicContact CZ-OD2 3.7Å; R2-D737 IonicContact NE-OD2 3.76Å; R2-D737 PolarHBondContact NE-OD2 3.28Å; R2-D737 IonicContact NH2-OD2 2.77Å; R2-D737 PolarHBondContact NH2-OD2 3.01Å | ||
| 3 | L | 77.7 | Confident | 81 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | trans | -114.7 | 4.1 | -171.2 | -52.7 | 177.4 | 0 | 0 | 0 | 115.1 | M1 F5 H601 L613 I622 | M1-L3 HydrophobicContact SD-CD2 4.49Å; L3-F5 PolarHBondContact O-N 3.34Å; L3-H601 VanDerWaalsContact CD2-CD2 3.43Å; L3-H601 WeakPolarHBondContact CD2-CD2 3.37Å; L3-H601 WeakPolarHBondContact CD2-NE2 3.42Å; L3-L613 HydrophobicContact CB-CD2 4.4Å; L3-L613 HydrophobicContact CD2-CD2 4.28Å; L3-I622 HydrophobicContact CD1-CD1 3.56Å; L3-I622 HydrophobicContact CD1-CG2 3.84Å | ||
| 4 | N | 81.3 | Confident | 81.6 | Confident | 48 Ų | 48 | 33.4 Ų | 33.4 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | trans | -81.9 | 59 | -179.6 | -167.6 | 18.1 | 0 | 0 | 0 | 112.4 | K6 P712 L735 | N4-K6 WeakPolarHBondContact OD1-CE 3.33Å; N4-P712 WeakPolarHBondContact O-CD 3.34Å; N4-L735 HydrophobicContact CB-CD2 4.33Å | ||
| 5 | F | 84.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | trans | -66.6 | 135.7 | 174.4 | -63.2 | -80.8 | 0 | 0 | 0 | 111 | M1 L3 K623 F625 F691 F698 L711 | M1-F5 HydrophobicContact CE-CE1 4.37Å; M1-F5 HydrophobicContact CE-CZ 3.6Å; M1-F5 HydrophobicContact SD-CZ 4.35Å; L3-F5 PolarHBondContact O-N 3.34Å; F5-K623 PolarHBondContact O-NZ 2.96Å; F5-F625 HydrophobicContact CB-CE1 3.92Å; F5-F625 HydrophobicContact CB-CZ 3.97Å; F5-F625 HydrophobicContact CD2-CZ 4.31Å; F5-F691 HydrophobicContact CE2-CE1 4.24Å; F5-F691 AromaticContact CZ-CE1 3.96Å; F5-F691 HydrophobicContact CZ-CE1 3.96Å; F5-F698 HydrophobicContact CB-CD1 4.37Å; F5-F698 HydrophobicContact CB-CE1 3.63Å; F5-F698 HydrophobicContact CB-CZ 4.48Å; F5-F698 AromaticContact CD1-CD1 3.74Å; F5-F698 HydrophobicContact CD1-CD1 3.74Å; F5-F698 AromaticContact CD1-CE1 3.88Å; F5-F698 HydrophobicContact CD1-CE1 3.88Å; F5-F698 HydrophobicContact CD2-CD1 4.06Å; F5-F698 AromaticContact CD2-CE1 3.74Å; F5-F698 HydrophobicContact CD2-CE1 3.74Å; F5-F698 AromaticContact CE1-CD1 3.94Å; F5-F698 HydrophobicContact CE1-CD1 3.94Å; F5-F698 HydrophobicContact CE1-CE1 4.46Å; F5-F698 HydrophobicContact CE2-CD1 4.23Å; F5-F698 HydrophobicContact CE2-CE1 4.33Å; F5-F698 AromaticContact CG-CD1 3.8Å; F5-F698 HydrophobicContact CG-CD1 3.8Å; F5-F698 AromaticContact CG-CE1 3.48Å; F5-F698 HydrophobicContact CG-CE1 3.48Å; F5-F698 VanDerWaalsContact CG-CE1 3.48Å; F5-F698 HydrophobicContact CZ-CD1 4.16Å; F5-L711 HydrophobicContact CD1-CD2 4.01Å; F5-L711 HydrophobicContact CD1-CG 4.03Å; F5-L711 HydrophobicContact CE1-CD2 4.11Å; F5-L711 HydrophobicContact CE1-CG 3.9Å; F5-L711 HydrophobicContact CG-CD2 4.22Å; F5-L711 HydrophobicContact CZ-CD2 4.43Å; F5-L711 HydrophobicContact CZ-CG 4.5Å | ||
| 6 | K | 84.5 | Confident | 82.7 | Confident | 112 Ų | 112 | 33.4 Ų | 33.4 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.2 | 174.7 | -64.9 | -64.9 | -177.7 | 172.4 | 0 | 109.3 | N4 K8 Y709 S710 P712 | N4-K6 WeakPolarHBondContact OD1-CE 3.33Å; K6-K8 PolarHBondContact O-N 2.78Å; K6-Y709 CarbonylContact O-C 3.56Å; K6-Y709 VanDerWaalsContact O-CA 3.25Å; K6-Y709 WeakPolarHBondContact O-CA 3.16Å; K6-S710 PolarHBondContact N-O 3.44Å; K6-S710 PolarHBondContact O-N 2.94Å; K6-P712 HydrophobicContact CG-CG 3.92Å |
| 7 | F | 85.8 | Confident | 83.1 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 138.1 | 171.5 | 173.8 | -106.1 | 0 | 0 | 0 | 109 | N9 L10 S49 D51 L707 Y709 | F7-N9 VanDerWaalsContact CE2-C 3.48Å; F7-N9 WeakPolarHBondContact CE2-O 3.3Å; F7-L10 HydrophobicContact CE2-CB 4.17Å; F7-L10 HydrophobicContact CZ-CB 3.85Å; F7-S49 WeakPolarHBondContact CE1-OG 3.13Å; F7-S49 VanDerWaalsContact CZ-OG 3.27Å; F7-S49 WeakPolarHBondContact CZ-OG 3.32Å; F7-D51 HydrophobicContact CD1-CB 3.86Å; F7-D51 HydrophobicContact CE1-CB 3.95Å; F7-L707 HydrophobicContact CD2-CD2 4.12Å; F7-L707 HydrophobicContact CE2-CD2 3.49Å; F7-L707 VanDerWaalsContact CE2-CD2 3.49Å; F7-L707 HydrophobicContact CZ-CD2 4.34Å; F7-Y709 HydrophobicContact CB-CD1 4.17Å; F7-Y709 HydrophobicContact CB-CE1 3.97Å |
| 8 | K | 81.3 | Confident | 83.6 | Confident | 65 Ų | 65 | 30.7 Ų | 30.7 | 28% | 0.283 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -45.8 | -176.8 | 174.5 | 166.2 | 170.1 | -167.1 | 0 | 113.3 | K6 S49 V708 S710 T716 | K6-K8 PolarHBondContact O-N 2.78Å; K8-S49 PolarHBondContact O-OG 3.16Å; K8-V708 PolarHBondContact N-O 2.81Å; K8-S710 WeakPolarHBondContact CD-OG 3.36Å; K8-S710 PolarHBondContact NZ-OG 3.15Å; K8-T716 WeakPolarHBondContact CE-OG1 3.28Å; K8-T716 PolarHBondContact NZ-OG1 3.37Å |
| 9 | N | 85.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 145 | -178.3 | -149.9 | -1.4 | 0 | 0 | 0 | 111.7 | F7 F11 V47 S49 V708 | F7-N9 VanDerWaalsContact CE2-C 3.48Å; F7-N9 WeakPolarHBondContact CE2-O 3.3Å; N9-F11 HydrophobicContact CB-CD1 4.28Å; N9-V47 PolarHBondContact ND2-O 3.16Å; N9-S49 VanDerWaalsContact CA-OG 3.29Å; N9-S49 WeakPolarHBondContact CA-OG 3.38Å; N9-S49 PolarHBondContact OD1-N 3.42Å; N9-V708 PolarHBondContact N-O 2.73Å; N9-V708 PolarHBondContact O-N 3.45Å |
| 10 | L | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.5 | 165.9 | 170.6 | 67.7 | 0 | 0 | 0 | 107.4 | F7 V33 Q36 T38 S49 I706 L707 | F7-L10 HydrophobicContact CE2-CB 4.17Å; F7-L10 HydrophobicContact CZ-CB 3.85Å; L10-V33 HydrophobicContact CD2-CB 4.17Å; L10-V33 HydrophobicContact CD2-CG1 3.65Å; L10-V33 HydrophobicContact CG-CG1 4.4Å; L10-Q36 VanDerWaalsContact CB-OE1 3.23Å; L10-Q36 HydrophobicContact CD2-CB 4.16Å; L10-Q36 HydrophobicContact CD2-CG 4.5Å; L10-T38 WeakPolarHBondContact O-CG2 3.44Å; L10-S49 PolarHBondContact N-OG 3.46Å; L10-I706 WeakPolarHBondContact CA-O 3.4Å; L10-L707 HydrophobicContact CB-CD2 4.11Å; L10-L707 HydrophobicContact CD1-CD2 3.58Å; L10-L707 HydrophobicContact CD1-CG 4.26Å; L10-L707 HydrophobicContact CG-CD2 4.33Å |
| 11 | F | 84.4 | Confident | 85.1 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | -170.8 | 170 | 57.1 | -96.2 | 0 | 0 | 0 | 110 | N9 T13 L353 W365 I706 V708 | N9-F11 HydrophobicContact CB-CD1 4.28Å; F11-T13 PolarHBondContact O-N 3.39Å; F11-L353 HydrophobicContact CZ-CD1 4.26Å; F11-W365 HydrophobicContact CD2-CB 4.16Å; F11-W365 AromaticContact CD2-CD2 4Å; F11-W365 HydrophobicContact CD2-CD2 4Å; F11-W365 AromaticContact CD2-CE3 3.98Å; F11-W365 HydrophobicContact CD2-CE3 3.98Å; F11-W365 HydrophobicContact CD2-CG 4.06Å; F11-W365 HydrophobicContact CE2-CB 3.73Å; F11-W365 HydrophobicContact CE2-CD2 4.35Å; F11-W365 AromaticContact CE2-CG 3.91Å; F11-W365 HydrophobicContact CE2-CG 3.91Å; F11-I706 HydrophobicContact CD2-CB 4.11Å; F11-I706 HydrophobicContact CD2-CD1 3.81Å; F11-I706 HydrophobicContact CD2-CG2 4.4Å; F11-I706 HydrophobicContact CE2-CB 4.07Å; F11-I706 HydrophobicContact CE2-CD1 3.78Å; F11-I706 HydrophobicContact CE2-CG2 3.86Å; F11-I706 HydrophobicContact CZ-CG2 4.09Å; F11-I706 PolarHBondContact N-O 3.46Å; F11-I706 WeakPolarHBondContact O-CA 3.33Å; F11-I706 WeakPolarHBondContact O-CB 3.41Å; F11-I706 PolarHBondContact O-N 3.39Å; F11-V708 HydrophobicContact CD1-CG2 4.33Å; F11-V708 HydrophobicContact CE1-CB 4.35Å; F11-V708 HydrophobicContact CE1-CG2 3.33Å; F11-V708 HydrophobicContact CZ-CG2 3.57Å |
| 12 | G | 81.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 90.3 | -31 | -171 | 0 | 0 | 0 | 0 | 0 | 113.3 | S336 H337 W365 | G12-S336 WeakPolarHBondContact O-CA 3.27Å; G12-H337 PolarHBondContact O-N 3.1Å; G12-W365 VanDerWaalsContact CA-CH2 3.47Å |
| 13 | T | 86.4 | Confident | 87.6 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | trans | -123.1 | 116.9 | 171.8 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | F11 V33 S336 E704 | F11-T13 PolarHBondContact O-N 3.39Å; T13-V33 WeakPolarHBondContact OG1-CG1 3.43Å; T13-S336 VanDerWaalsContact CA-OG 3.29Å; T13-S336 WeakPolarHBondContact CA-OG 3.47Å; T13-E704 WeakPolarHBondContact CB-O 3.43Å; T13-E704 WeakPolarHBondContact CG2-O 3.24Å; T13-E704 PolarHBondContact OG1-O 3.01Å | ||
| 14 | A | 88.5 | Confident | 88.1 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -87.7 | -27.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S31 F40 I320 A334 S336 | A14-S31 WeakPolarHBondContact O-CB 3.34Å; A14-S31 PolarHBondContact O-OG 3.37Å; A14-F40 HydrophobicContact CB-CZ 3.97Å; A14-I320 HydrophobicContact CB-CG2 3.73Å; A14-A334 HydrophobicContact CB-CB 3.75Å; A14-S336 PolarHBondContact N-OG 3.42Å |
| 15 | Y | 92.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | trans | -158.4 | 140.9 | -178.4 | 177.1 | -107 | 0 | 0 | 0 | 109.8 | G18 V20 P32 S299 E315 G318 | Y15-G18 VanDerWaalsContact CE2-O 3.3Å; Y15-G18 WeakPolarHBondContact CE2-O 3.29Å; Y15-G18 PolarHBondContact OH-N 3.3Å; Y15-G18 PolarHBondContact OH-O 2.82Å; Y15-V20 HydrophobicContact CD2-CG2 3.86Å; Y15-V20 HydrophobicContact CE2-CG2 3.72Å; Y15-P32 HydrophobicContact CD2-CG 4.39Å; Y15-P32 HydrophobicContact CE2-CG 4.07Å; Y15-S299 VanDerWaalsContact CE1-OG 3.28Å; Y15-S299 WeakPolarHBondContact CE1-OG 3.47Å; Y15-S299 PolarHBondContact OH-OG 2.87Å; Y15-E315 HydrophobicContact CE1-CB 4.08Å; Y15-G318 WeakPolarHBondContact O-CA 3.26Å | ||
| 16 | K | 89.4 | Confident | 88.2 | Confident | 61 Ų | 61 | 27.7 Ų | 27.7 | 27% | 0.265 | 14% | 0.144 | S | C | . | . | trans | -112.9 | -71.3 | 172 | -166.6 | -175.3 | -175.6 | -170.3 | 0 | 110.6 | P32 D57 E315 | K16-P32 PolarHBondContact N-O 3.44Å; K16-D57 VanDerWaalsContact CE-OD2 3.32Å; K16-D57 WeakPolarHBondContact CE-OD2 3.25Å; K16-D57 IonicContact NZ-OD1 3.73Å; K16-D57 PolarHBondContact NZ-OD1 3.48Å; K16-D57 IonicContact NZ-OD2 3.11Å; K16-D57 PolarHBondContact NZ-OD2 3.46Å; K16-E315 WeakPolarHBondContact O-CA 3.27Å; K16-E315 WeakPolarHBondContact O-CB 2.9Å; K16-E315 VanDerWaalsContact O-CG 3.28Å; K16-E315 WeakPolarHBondContact O-CG 3.42Å | ||
| 17 | C | 89.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -152.4 | 159.4 | -177.5 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | P32 | C17-P32 WeakPolarHBondContact O-CB 3.27Å; C17-P32 WeakPolarHBondContact O-CG 3Å |
| 18 | G | 91.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 23.5 Ų | 23.5 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 100.4 | -173.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y15 H59 S300 | Y15-G18 VanDerWaalsContact CE2-O 3.3Å; Y15-G18 WeakPolarHBondContact CE2-O 3.29Å; Y15-G18 PolarHBondContact OH-N 3.3Å; Y15-G18 PolarHBondContact OH-O 2.82Å; G18-H59 CarbonylContact C-O 3.55Å; G18-H59 WeakPolarHBondContact CA-O 3.44Å; G18-S300 WeakPolarHBondContact O-CB 3.27Å |
| 19 | S | 93.1 | Very high | 89 | Confident | 27 Ų | 27 | 20.4 Ų | 20.4 | 19% | 0.189 | 12% | 0.115 | C | C | . | . | trans | -80.6 | 134.5 | -175.6 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | P32 H59 H60 L61 | S19-P32 WeakPolarHBondContact O-CD 3.48Å; S19-H59 PolarHBondContact N-O 3.4Å; S19-H60 WeakPolarHBondContact OG-CA 3.4Å; S19-L61 PolarHBondContact OG-N 3.39Å | ||
| 20 | V | 94.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | trans | -97.6 | 137.7 | 170.6 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | Y15 L29 L30 S300 T302 I320 | Y15-V20 HydrophobicContact CD2-CG2 3.86Å; Y15-V20 HydrophobicContact CE2-CG2 3.72Å; V20-L29 HydrophobicContact CG1-CD1 3.42Å; V20-L29 VanDerWaalsContact CG1-CD1 3.42Å; V20-L29 HydrophobicContact CG1-CD2 4Å; V20-L29 HydrophobicContact CG1-CG 3.66Å; V20-L30 WeakPolarHBondContact CA-O 3.44Å; V20-L30 WeakPolarHBondContact CG1-O 3.29Å; V20-S300 PolarHBondContact N-OG 3.4Å; V20-T302 HydrophobicContact CB-CG2 4.47Å; V20-T302 HydrophobicContact CG1-CG2 4.08Å; V20-T302 VanDerWaalsContact O-CB 3.3Å; V20-T302 WeakPolarHBondContact O-CB 3.49Å; V20-T302 VanDerWaalsContact O-CG2 3.32Å; V20-T302 WeakPolarHBondContact O-CG2 3.49Å; V20-I320 HydrophobicContact CG1-CD1 4.03Å; V20-I320 HydrophobicContact CG2-CD1 4.12Å | ||
| 21 | V | 94.6 | Very high | 89.7 | Confident | 31 Ų | 31 | 19.7 Ų | 19.7 | 19% | 0.188 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 136.2 | -174.8 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | L30 L61 L63 | V21-L30 PolarHBondContact N-O 2.76Å; V21-L30 VanDerWaalsContact N-O 3.09Å; V21-L30 WeakPolarHBondContact O-CB 3.43Å; V21-L30 PolarHBondContact O-N 2.83Å; V21-L61 HydrophobicContact CG2-CB 3.91Å; V21-L63 HydrophobicContact CG1-CD1 3.8Å; V21-L63 HydrophobicContact CG1-CG 4.18Å |
| 22 | F | 94.1 | Very high | 90.2 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.057 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 145.6 | 170.3 | -77.6 | -80.1 | 0 | 0 | 0 | 111.4 | G28 L29 L42 L63 T302 N304 W309 V322 | F22-G28 CarbonylContact C-O 3.23Å; F22-G28 WeakPolarHBondContact CA-O 3.31Å; F22-G28 WeakPolarHBondContact CD1-O 3.48Å; F22-L29 HydrophobicContact CD1-CD1 3.81Å; F22-L29 HydrophobicContact CD2-CD1 4.14Å; F22-L29 HydrophobicContact CE1-CD1 3.77Å; F22-L29 HydrophobicContact CE2-CD1 4.12Å; F22-L29 HydrophobicContact CG-CD1 3.99Å; F22-L29 HydrophobicContact CZ-CD1 3.92Å; F22-L42 HydrophobicContact CD1-CD1 4.39Å; F22-L42 HydrophobicContact CE1-CD1 3.77Å; F22-L63 WeakPolarHBondContact O-CD1 3.28Å; F22-T302 HydrophobicContact CD2-CG2 3.65Å; F22-T302 HydrophobicContact CE2-CG2 3.73Å; F22-N304 HydrophobicContact CD1-CB 4.24Å; F22-N304 HydrophobicContact CD2-CB 3.93Å; F22-N304 HydrophobicContact CE1-CB 4.3Å; F22-N304 HydrophobicContact CE2-CB 3.99Å; F22-N304 HydrophobicContact CG-CB 4.06Å; F22-N304 HydrophobicContact CZ-CB 4.2Å; F22-W309 HydrophobicContact CE1-CB 4.34Å; F22-W309 HydrophobicContact CE1-CE3 4.19Å; F22-W309 HydrophobicContact CZ-CB 3.92Å; F22-V322 HydrophobicContact CE1-CG1 4.4Å; F22-V322 HydrophobicContact CZ-CG1 4.1Å; F22-V322 HydrophobicContact CZ-CG2 4.44Å |
| 23 | T | 90.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | trans | -65.2 | 156.3 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | N25 G26 G28 L30 F724 | T23-N25 WeakPolarHBondContact CB-OD1 3.29Å; T23-N25 PolarHBondContact O-N 2.72Å; T23-N25 VanDerWaalsContact O-N 3.1Å; T23-N25 PolarHBondContact OG1-OD1 2.71Å; T23-G26 WeakPolarHBondContact O-CA 3.25Å; T23-G26 PolarHBondContact O-N 2.87Å; T23-G28 PolarHBondContact N-O 2.72Å; T23-G28 VanDerWaalsContact OG1-CA 3.24Å; T23-G28 WeakPolarHBondContact OG1-CA 3.36Å; T23-G28 PolarHBondContact OG1-N 3.17Å; T23-G28 PolarHBondContact OG1-O 2.9Å; T23-L30 HydrophobicContact CG2-CD2 4.38Å; T23-L30 HydrophobicContact CG2-CG 4.25Å; T23-F724 HydrophobicContact CG2-CE1 3.61Å; T23-F724 HydrophobicContact CG2-CZ 4.07Å | ||
| 24 | N | 87 | Confident | 90.7 | Very high | 60 Ų | 60 | 18.4 Ų | 18.4 | 32% | 0.321 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.9 | -176 | -66 | -13.1 | 0 | 0 | 0 | 114.9 | G26 S64 R305 | N24-G26 VanDerWaalsContact C-N 3.3Å; N24-S64 PolarHBondContact ND2-O 2.91Å; N24-R305 PolarHBondContact O-NH1 2.9Å |
| 25 | N | 84.7 | Confident | 90.8 | Very high | 79 Ų | 79 | 18 Ų | 18 | 42% | 0.422 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.9 | 174 | 64.7 | -0.6 | 0 | 0 | 0 | 112.9 | T23 L27 | T23-N25 WeakPolarHBondContact CB-OD1 3.29Å; T23-N25 PolarHBondContact O-N 2.72Å; T23-N25 VanDerWaalsContact O-N 3.1Å; T23-N25 PolarHBondContact OG1-OD1 2.71Å; N25-L27 PolarHBondContact O-N 3.14Å; N25-L27 PolarHBondContact OD1-N 2.91Å; N25-L27 VanDerWaalsContact OD1-N 3.14Å |
| 26 | G | 85.4 | Confident | 90.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 73.3 | 5.3 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | T23 N24 N304 | T23-G26 WeakPolarHBondContact O-CA 3.25Å; T23-G26 PolarHBondContact O-N 2.87Å; N24-G26 VanDerWaalsContact C-N 3.3Å; G26-N304 WeakPolarHBondContact CA-OD1 3.39Å; G26-N304 PolarHBondContact O-ND2 3Å |
| 27 | L | 86 | Confident | 90.9 | Very high | 67 Ų | 67 | 15.3 Ų | 15.3 | 35% | 0.351 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -98.7 | -13.9 | -176.5 | -62.2 | 176.3 | 0 | 0 | 0 | 113.2 | N25 L42 K43 | N25-L27 PolarHBondContact O-N 3.14Å; N25-L27 PolarHBondContact OD1-N 2.91Å; N25-L27 VanDerWaalsContact OD1-N 3.14Å; L27-L42 WeakPolarHBondContact O-CB 3.39Å; L27-L42 WeakPolarHBondContact O-CG 3.45Å; L27-L42 PolarHBondContact O-N 3.41Å; L27-K43 HydrophobicContact CD1-CD 4.21Å |
| 28 | G | 88.2 | Confident | 91 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F22 T23 F40 | F22-G28 CarbonylContact C-O 3.23Å; F22-G28 WeakPolarHBondContact CA-O 3.31Å; F22-G28 WeakPolarHBondContact CD1-O 3.48Å; T23-G28 PolarHBondContact N-O 2.72Å; T23-G28 VanDerWaalsContact OG1-CA 3.24Å; T23-G28 WeakPolarHBondContact OG1-CA 3.36Å; T23-G28 PolarHBondContact OG1-N 3.17Å; T23-G28 PolarHBondContact OG1-O 2.9Å; G28-F40 CarbonylContact C-O 3.59Å; G28-F40 WeakPolarHBondContact CA-O 3.26Å |
| 29 | L | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.6 | 173.4 | -171.5 | 72.9 | 0 | 0 | 0 | 109.6 | V20 F22 V39 F40 T302 I320 V322 | V20-L29 HydrophobicContact CG1-CD1 3.42Å; V20-L29 VanDerWaalsContact CG1-CD1 3.42Å; V20-L29 HydrophobicContact CG1-CD2 4Å; V20-L29 HydrophobicContact CG1-CG 3.66Å; F22-L29 HydrophobicContact CD1-CD1 3.81Å; F22-L29 HydrophobicContact CD2-CD1 4.14Å; F22-L29 HydrophobicContact CE1-CD1 3.77Å; F22-L29 HydrophobicContact CE2-CD1 4.12Å; F22-L29 HydrophobicContact CG-CD1 3.99Å; F22-L29 HydrophobicContact CZ-CD1 3.92Å; L29-V39 WeakPolarHBondContact O-CA 3.44Å; L29-F40 HydrophobicContact CB-CB 4.2Å; L29-F40 HydrophobicContact CB-CD2 4.43Å; L29-F40 HydrophobicContact CD2-CD2 4.43Å; L29-F40 PolarHBondContact N-O 3.39Å; L29-F40 PolarHBondContact O-N 3.42Å; L29-T302 HydrophobicContact CD1-CG2 4.19Å; L29-I320 HydrophobicContact CD2-CD1 3.47Å; L29-I320 VanDerWaalsContact CD2-CD1 3.47Å; L29-I320 HydrophobicContact CD2-CG1 3.96Å; L29-I320 HydrophobicContact CG-CD1 4.34Å; L29-V322 HydrophobicContact CD2-CG2 3.62Å |
| 30 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.6 | 175.4 | -57.7 | 178.8 | 0 | 0 | 0 | 109.4 | V20 V21 T23 I37 T38 V39 L61 L63 L70 F724 | V20-L30 WeakPolarHBondContact CA-O 3.44Å; V20-L30 WeakPolarHBondContact CG1-O 3.29Å; V21-L30 PolarHBondContact N-O 2.76Å; V21-L30 VanDerWaalsContact N-O 3.09Å; V21-L30 WeakPolarHBondContact O-CB 3.43Å; V21-L30 PolarHBondContact O-N 2.83Å; T23-L30 HydrophobicContact CG2-CD2 4.38Å; T23-L30 HydrophobicContact CG2-CG 4.25Å; L30-I37 HydrophobicContact CB-CG2 4.11Å; L30-I37 HydrophobicContact CD2-CG2 4.2Å; L30-T38 WeakPolarHBondContact CA-O 3.27Å; L30-V39 HydrophobicContact CD2-CB 4.02Å; L30-V39 HydrophobicContact CD2-CG1 3.81Å; L30-V39 HydrophobicContact CD2-CG2 3.48Å; L30-V39 VanDerWaalsContact CD2-CG2 3.48Å; L30-L61 HydrophobicContact CB-CD1 4.06Å; L30-L63 HydrophobicContact CD1-CD1 3.86Å; L30-L63 HydrophobicContact CD1-CD2 3.75Å; L30-L63 HydrophobicContact CD1-CG 4.06Å; L30-L70 HydrophobicContact CD1-CD1 4.05Å; L30-L70 HydrophobicContact CD1-CD2 4.3Å; L30-F724 HydrophobicContact CD2-CZ 4.35Å |
| 31 | S | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.8 | 172.3 | 67 | 0 | 0 | 0 | 0 | 111.6 | A14 I37 T38 F40 | A14-S31 WeakPolarHBondContact O-CB 3.34Å; A14-S31 PolarHBondContact O-OG 3.37Å; S31-I37 CarbonylContact O-C 3.57Å; S31-I37 WeakPolarHBondContact O-CA 3.16Å; S31-T38 PolarHBondContact N-O 2.88Å; S31-T38 PolarHBondContact O-N 3.34Å; S31-T38 PolarHBondContact O-OG1 3.14Å; S31-T38 PolarHBondContact OG-OG1 3.03Å; S31-F40 VanDerWaalsContact OG-CE2 3.32Å; S31-F40 WeakPolarHBondContact OG-CE2 3.29Å |
| 32 | P | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.7 | 170.6 | 28.3 | -34.6 | 0 | 0 | 0 | 111.4 | Y15 K16 C17 S19 V58 | Y15-P32 HydrophobicContact CD2-CG 4.39Å; Y15-P32 HydrophobicContact CE2-CG 4.07Å; K16-P32 PolarHBondContact N-O 3.44Å; C17-P32 WeakPolarHBondContact O-CB 3.27Å; C17-P32 WeakPolarHBondContact O-CG 3Å; S19-P32 WeakPolarHBondContact O-CD 3.48Å; P32-V58 HydrophobicContact CB-CB 4.12Å; P32-V58 HydrophobicContact CB-CG1 4.31Å; P32-V58 WeakPolarHBondContact CB-O 3.26Å |
| 33 | V | 91.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 91.4 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | L10 T13 N35 Q36 T38 | L10-V33 HydrophobicContact CD2-CB 4.17Å; L10-V33 HydrophobicContact CD2-CG1 3.65Å; L10-V33 HydrophobicContact CG-CG1 4.4Å; T13-V33 WeakPolarHBondContact OG1-CG1 3.43Å; V33-N35 PolarHBondContact O-N 2.72Å; V33-Q36 CarbonylContact C-O 3.48Å; V33-Q36 PolarHBondContact N-O 2.76Å; V33-Q36 PolarHBondContact O-N 2.66Å; V33-Q36 VanDerWaalsContact O-N 3.1Å; V33-T38 HydrophobicContact CB-CG2 4.33Å; V33-T38 HydrophobicContact CG2-CG2 3.79Å; V33-T38 VanDerWaalsContact CG2-OG1 3.26Å; V33-T38 WeakPolarHBondContact CG2-OG1 3.19Å |
| 34 | G | 88.4 | Confident | 89 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -121.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D57 V58 | G34-D57 WeakPolarHBondContact CA-OD1 3.41Å; G34-D57 CarbonylContact O-C 3.57Å; G34-D57 WeakPolarHBondContact O-CA 3.35Å; G34-V58 PolarHBondContact O-N 2.71Å |
| 35 | N | 90.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 10.5 | 177.5 | 67.9 | -16.9 | 0 | 0 | 0 | 114.6 | V33 S54 C629 N630 | V33-N35 PolarHBondContact O-N 2.72Å; N35-S54 VanDerWaalsContact CA-OG 3.23Å; N35-S54 WeakPolarHBondContact CA-OG 3.44Å; N35-S54 WeakPolarHBondContact CB-O 3.45Å; N35-S54 WeakPolarHBondContact CB-OG 3.39Å; N35-S54 PolarHBondContact ND2-O 2.97Å; N35-S54 VanDerWaalsContact ND2-O 3.13Å; N35-S54 PolarHBondContact O-N 3.06Å; N35-S54 PolarHBondContact O-OG 3.29Å; N35-C629 PolarHBondContact ND2-SG 2.97Å; N35-N630 HydrophobicContact CB-CB 4.2Å |
| 36 | Q | 91 | Very high | 88.6 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 168.7 | 177 | -63 | -172.9 | -6.9 | 0 | 0 | 110.8 | L10 V33 | L10-Q36 VanDerWaalsContact CB-OE1 3.23Å; L10-Q36 HydrophobicContact CD2-CB 4.16Å; L10-Q36 HydrophobicContact CD2-CG 4.5Å; V33-Q36 CarbonylContact C-O 3.48Å; V33-Q36 PolarHBondContact N-O 2.76Å; V33-Q36 PolarHBondContact O-N 2.66Å; V33-Q36 VanDerWaalsContact O-N 3.1Å |
| 37 | I | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.7 | 175.2 | -64 | 178.1 | 0 | 0 | 0 | 109.3 | L30 S31 S49 I50 I52 L61 L70 A72 | L30-I37 HydrophobicContact CB-CG2 4.11Å; L30-I37 HydrophobicContact CD2-CG2 4.2Å; S31-I37 CarbonylContact O-C 3.57Å; S31-I37 WeakPolarHBondContact O-CA 3.16Å; I37-S49 CarbonylContact O-C 3.52Å; I37-S49 WeakPolarHBondContact O-CA 3.38Å; I37-I50 HydrophobicContact CB-CB 4.46Å; I37-I50 PolarHBondContact N-O 3.15Å; I37-I50 PolarHBondContact O-N 2.98Å; I37-I52 HydrophobicContact CB-CD1 4.36Å; I37-I52 HydrophobicContact CD1-CD1 3.24Å; I37-I52 HydrophobicContact CG1-CD1 3.6Å; I37-L61 HydrophobicContact CD1-CD1 4.12Å; I37-L61 HydrophobicContact CD1-CD2 3.29Å; I37-L61 HydrophobicContact CD1-CG 4.36Å; I37-L61 HydrophobicContact CG1-CD2 4.17Å; I37-L61 HydrophobicContact CG2-CD1 4.5Å; I37-L70 HydrophobicContact CD1-CD2 3.58Å; I37-A72 HydrophobicContact CD1-CB 3.95Å |
| 38 | T | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.6 | 169.9 | 50 | 0 | 0 | 0 | 0 | 110.5 | L10 L30 S31 V33 A48 | L10-T38 WeakPolarHBondContact O-CG2 3.44Å; L30-T38 WeakPolarHBondContact CA-O 3.27Å; S31-T38 PolarHBondContact N-O 2.88Å; S31-T38 PolarHBondContact O-N 3.34Å; S31-T38 PolarHBondContact O-OG1 3.14Å; S31-T38 PolarHBondContact OG-OG1 3.03Å; V33-T38 HydrophobicContact CB-CG2 4.33Å; V33-T38 HydrophobicContact CG2-CG2 3.79Å; V33-T38 VanDerWaalsContact CG2-OG1 3.26Å; V33-T38 WeakPolarHBondContact CG2-OG1 3.19Å; T38-A48 CarbonylContact C-O 3.48Å; T38-A48 WeakPolarHBondContact CA-O 3.28Å |
| 39 | V | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.3 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | L29 L30 V47 A48 I50 I723 F724 | L29-V39 WeakPolarHBondContact O-CA 3.44Å; L30-V39 HydrophobicContact CD2-CB 4.02Å; L30-V39 HydrophobicContact CD2-CG1 3.81Å; L30-V39 HydrophobicContact CD2-CG2 3.48Å; L30-V39 VanDerWaalsContact CD2-CG2 3.48Å; V39-V47 WeakPolarHBondContact O-CA 3.42Å; V39-A48 PolarHBondContact N-O 2.92Å; V39-A48 PolarHBondContact O-N 2.74Å; V39-I50 HydrophobicContact CG2-CD1 3.67Å; V39-I50 HydrophobicContact CG2-CG1 3.82Å; V39-I723 HydrophobicContact CB-CD1 4.35Å; V39-I723 HydrophobicContact CG1-CD1 3.88Å; V39-I723 HydrophobicContact CG1-CG2 4.12Å; V39-F724 HydrophobicContact CG1-CE2 4.32Å; V39-F724 HydrophobicContact CG1-CZ 4.03Å |
| 40 | F | 90.4 | Very high | 88.1 | Confident | 13 Ų | 13 | 21.7 Ų | 21.7 | 6% | 0.057 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.4 | 170 | -60.5 | -88.3 | 0 | 0 | 0 | 108.7 | A14 G28 L29 S31 L42 E46 V47 I320 L332 A334 | A14-F40 HydrophobicContact CB-CZ 3.97Å; G28-F40 CarbonylContact C-O 3.59Å; G28-F40 WeakPolarHBondContact CA-O 3.26Å; L29-F40 HydrophobicContact CB-CB 4.2Å; L29-F40 HydrophobicContact CB-CD2 4.43Å; L29-F40 HydrophobicContact CD2-CD2 4.43Å; L29-F40 PolarHBondContact N-O 3.39Å; L29-F40 PolarHBondContact O-N 3.42Å; S31-F40 VanDerWaalsContact OG-CE2 3.32Å; S31-F40 WeakPolarHBondContact OG-CE2 3.29Å; F40-L42 HydrophobicContact CB-CD2 4.3Å; F40-L42 PolarHBondContact O-N 2.87Å; F40-E46 CarbonylContact C-O 3.55Å; F40-V47 HydrophobicContact CD1-CB 4.4Å; F40-V47 HydrophobicContact CD1-CG1 4.21Å; F40-V47 HydrophobicContact CD1-CG2 3.47Å; F40-V47 VanDerWaalsContact CD1-CG2 3.47Å; F40-V47 HydrophobicContact CE1-CB 4.48Å; F40-V47 HydrophobicContact CE1-CG1 4.02Å; F40-V47 HydrophobicContact CE1-CG2 3.6Å; F40-I320 HydrophobicContact CE2-CD1 4.13Å; F40-I320 HydrophobicContact CE2-CG2 4.3Å; F40-I320 HydrophobicContact CZ-CG2 4.2Å; F40-L332 HydrophobicContact CB-CD2 4.17Å; F40-L332 HydrophobicContact CD1-CD2 3.91Å; F40-L332 HydrophobicContact CD2-CD2 4.48Å; F40-L332 HydrophobicContact CE1-CD2 4.49Å; F40-L332 HydrophobicContact CG-CD2 3.94Å; F40-A334 HydrophobicContact CE1-CB 4.29Å |
| 41 | D | 87.1 | Confident | 87.8 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 104.3 | 164.8 | -174.2 | -19.5 | 0 | 0 | 0 | 108.3 | K43 K44 D45 E46 I723 | D41-K43 VanDerWaalsContact C-N 3.26Å; D41-K43 PolarHBondContact O-N 3.23Å; D41-K43 WeakPolarHBondContact OD1-CB 3.27Å; D41-K43 PolarHBondContact OD1-N 3.15Å; D41-K44 HydrophobicContact CB-CB 4.45Å; D41-K44 PolarHBondContact OD1-N 2.96Å; D41-K44 VanDerWaalsContact OD1-N 3.15Å; D41-K44 WeakPolarHBondContact OD2-CD 3.45Å; D41-K44 WeakPolarHBondContact OD2-CG 3.33Å; D41-D45 WeakPolarHBondContact O-CA 3.42Å; D41-D45 PolarHBondContact O-N 2.87Å; D41-E46 PolarHBondContact N-O 3.22Å; D41-E46 PolarHBondContact O-N 2.95Å; D41-E46 VanDerWaalsContact O-N 3.16Å; D41-I723 HydrophobicContact CB-CD1 4.04Å; D41-I723 HydrophobicContact CB-CG1 4.07Å; D41-I723 HydrophobicContact CB-CG2 4.48Å |
| 42 | L | 87.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.3 | -177 | -57.7 | 173.3 | 0 | 0 | 0 | 111.1 | F22 L27 F40 W309 V322 Y331 L332 | F22-L42 HydrophobicContact CD1-CD1 4.39Å; F22-L42 HydrophobicContact CE1-CD1 3.77Å; L27-L42 WeakPolarHBondContact O-CB 3.39Å; L27-L42 WeakPolarHBondContact O-CG 3.45Å; L27-L42 PolarHBondContact O-N 3.41Å; F40-L42 HydrophobicContact CB-CD2 4.3Å; F40-L42 PolarHBondContact O-N 2.87Å; L42-W309 HydrophobicContact CB-CH2 3.99Å; L42-W309 HydrophobicContact CB-CZ3 3.71Å; L42-W309 HydrophobicContact CD1-CE3 3.5Å; L42-W309 HydrophobicContact CD1-CH2 4.32Å; L42-W309 HydrophobicContact CD1-CZ3 3.34Å; L42-W309 HydrophobicContact CG-CZ3 4.15Å; L42-V322 HydrophobicContact CD1-CG1 4.38Å; L42-V322 HydrophobicContact CD1-CG2 4.29Å; L42-V322 HydrophobicContact CD2-CG2 4.19Å; L42-Y331 HydrophobicContact CB-CD1 4.41Å; L42-Y331 HydrophobicContact CB-CE1 3.85Å; L42-Y331 HydrophobicContact CD2-CD1 4.29Å; L42-Y331 HydrophobicContact CD2-CE1 4.36Å; L42-Y331 VanDerWaalsContact O-CE1 3.32Å; L42-Y331 WeakPolarHBondContact O-CE1 3.45Å; L42-Y331 PolarHBondContact O-OH 2.78Å; L42-L332 HydrophobicContact CD2-CB 4.14Å; L42-L332 HydrophobicContact CD2-CD2 3.79Å |
| 43 | K | 85.7 | Confident | 86.9 | Confident | 155 Ų | 155 | 28.6 Ų | 28.6 | 67% | 0.674 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -43.4 | -178.9 | -176 | 178.1 | 178.2 | 179.2 | 0 | 112.3 | L27 D41 D45 | L27-K43 HydrophobicContact CD1-CD 4.21Å; D41-K43 VanDerWaalsContact C-N 3.26Å; D41-K43 PolarHBondContact O-N 3.23Å; D41-K43 WeakPolarHBondContact OD1-CB 3.27Å; D41-K43 PolarHBondContact OD1-N 3.15Å; K43-D45 VanDerWaalsContact C-N 3.35Å |
| 44 | K | 76.6 | Confident | 86.8 | Confident | 97 Ų | 97 | 28.9 Ų | 28.9 | 42% | 0.422 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -11.9 | 179.5 | -65 | -175.6 | -170.2 | 170.5 | 0 | 113.5 | D41 E46 S722 | D41-K44 HydrophobicContact CB-CB 4.45Å; D41-K44 PolarHBondContact OD1-N 2.96Å; D41-K44 VanDerWaalsContact OD1-N 3.15Å; D41-K44 WeakPolarHBondContact OD2-CD 3.45Å; D41-K44 WeakPolarHBondContact OD2-CG 3.33Å; K44-E46 HydrophobicContact CB-CB 4.3Å; K44-E46 HydrophobicContact CB-CG 4.02Å; K44-S722 VanDerWaalsContact NZ-CB 3.35Å; K44-S722 PolarHBondContact NZ-OG 3.05Å |
| 45 | D | 80.8 | Confident | 86.9 | Confident | 73 Ų | 73 | 30.6 Ų | 30.6 | 39% | 0.39 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 44.3 | -172.9 | -162.3 | 21.7 | 0 | 0 | 0 | 113.2 | D41 K43 R371 | D41-D45 WeakPolarHBondContact O-CA 3.42Å; D41-D45 PolarHBondContact O-N 2.87Å; K43-D45 VanDerWaalsContact C-N 3.35Å; D45-R371 VanDerWaalsContact CG-CD 3.4Å; D45-R371 WeakPolarHBondContact OD1-CD 3.39Å; D45-R371 IonicContact OD1-CZ 2.75Å; D45-R371 IonicContact OD1-NE 2.64Å; D45-R371 PolarHBondContact OD1-NE 3.47Å; D45-R371 IonicContact OD1-NH1 3.61Å; D45-R371 PolarHBondContact OD1-NH1 2.91Å; D45-R371 VanDerWaalsContact OD2-CD 3.25Å; D45-R371 WeakPolarHBondContact OD2-CD 3.47Å; D45-R371 IonicContact OD2-CZ 3.55Å; D45-R371 IonicContact OD2-NE 3.23Å; D45-R371 PolarHBondContact OD2-NE 2.73Å; D45-R371 IonicContact OD2-NH1 3.32Å |
| 46 | E | 81.6 | Confident | 86.9 | Confident | 39 Ų | 39 | 31.8 Ų | 31.8 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 151.1 | -173.9 | -71.4 | 173.9 | -176.7 | 0 | 0 | 111.6 | F40 D41 K44 G369 Y718 | F40-E46 CarbonylContact C-O 3.55Å; D41-E46 PolarHBondContact N-O 3.22Å; D41-E46 PolarHBondContact O-N 2.95Å; D41-E46 VanDerWaalsContact O-N 3.16Å; K44-E46 HydrophobicContact CB-CB 4.3Å; K44-E46 HydrophobicContact CB-CG 4.02Å; E46-G369 CarbonylContact C-O 3.58Å; E46-Y718 WeakPolarHBondContact OE1-CE1 3.47Å; E46-Y718 VanDerWaalsContact OE2-CD1 3.32Å; E46-Y718 WeakPolarHBondContact OE2-CD1 3.3Å |
| 47 | V | 86.1 | Confident | 87 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.6 | 178.1 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | N9 V39 F40 G369 | N9-V47 PolarHBondContact ND2-O 3.16Å; V39-V47 WeakPolarHBondContact O-CA 3.42Å; F40-V47 HydrophobicContact CD1-CB 4.4Å; F40-V47 HydrophobicContact CD1-CG1 4.21Å; F40-V47 HydrophobicContact CD1-CG2 3.47Å; F40-V47 VanDerWaalsContact CD1-CG2 3.47Å; F40-V47 HydrophobicContact CE1-CB 4.48Å; F40-V47 HydrophobicContact CE1-CG1 4.02Å; F40-V47 HydrophobicContact CE1-CG2 3.6Å; V47-G369 WeakPolarHBondContact CA-O 3.49Å; V47-G369 VanDerWaalsContact CB-O 3.27Å; V47-G369 WeakPolarHBondContact CB-O 3.26Å; V47-G369 WeakPolarHBondContact CG2-O 3.39Å; V47-G369 PolarHBondContact N-O 3.25Å |
| 48 | A | 83.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 32 Ų | 32 | 15% | 0.149 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 162.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T38 V39 I720 I723 | T38-A48 CarbonylContact C-O 3.48Å; T38-A48 WeakPolarHBondContact CA-O 3.28Å; V39-A48 PolarHBondContact N-O 2.92Å; V39-A48 PolarHBondContact O-N 2.74Å; A48-I720 HydrophobicContact CB-CG2 3.97Å; A48-I723 HydrophobicContact CB-CD1 4.09Å |
| 49 | S | 86.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.1 | 174.5 | 62 | 0 | 0 | 0 | 0 | 111.3 | F7 K8 N9 L10 I37 | F7-S49 WeakPolarHBondContact CE1-OG 3.13Å; F7-S49 VanDerWaalsContact CZ-OG 3.27Å; F7-S49 WeakPolarHBondContact CZ-OG 3.32Å; K8-S49 PolarHBondContact O-OG 3.16Å; N9-S49 VanDerWaalsContact CA-OG 3.29Å; N9-S49 WeakPolarHBondContact CA-OG 3.38Å; N9-S49 PolarHBondContact OD1-N 3.42Å; L10-S49 PolarHBondContact N-OG 3.46Å; I37-S49 CarbonylContact O-C 3.52Å; I37-S49 WeakPolarHBondContact O-CA 3.38Å |
| 50 | I | 87.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.3 | 168.3 | -59.7 | 170.3 | 0 | 0 | 0 | 107.4 | I37 V39 I52 L70 L84 I720 | I37-I50 HydrophobicContact CB-CB 4.46Å; I37-I50 PolarHBondContact N-O 3.15Å; I37-I50 PolarHBondContact O-N 2.98Å; V39-I50 HydrophobicContact CG2-CD1 3.67Å; V39-I50 HydrophobicContact CG2-CG1 3.82Å; I50-I52 HydrophobicContact CG2-CG1 3.97Å; I50-I52 PolarHBondContact O-N 3.16Å; I50-L70 HydrophobicContact CD1-CD2 4.45Å; I50-L84 HydrophobicContact CD1-CD2 4.05Å; I50-I720 HydrophobicContact CG1-CG2 4.13Å |
| 51 | D | 86.3 | Confident | 87.6 | Confident | 73 Ų | 73 | 35.9 Ų | 35.9 | 39% | 0.39 | 19% | 0.188 | S | C | . | . | trans | -80.2 | 96.6 | 176.3 | -169.9 | 12.2 | 0 | 0 | 0 | 110.4 | F7 S53 | F7-D51 HydrophobicContact CD1-CB 3.86Å; F7-D51 HydrophobicContact CE1-CB 3.95Å; D51-S53 PolarHBondContact OD1-N 2.8Å | ||
| 52 | I | 85.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -87.6 | -27.9 | 175 | -59.2 | -176.4 | 0 | 0 | 0 | 110.4 | I37 I50 S54 A72 S80 V89 | I37-I52 HydrophobicContact CB-CD1 4.36Å; I37-I52 HydrophobicContact CD1-CD1 3.24Å; I37-I52 HydrophobicContact CG1-CD1 3.6Å; I50-I52 HydrophobicContact CG2-CG1 3.97Å; I50-I52 PolarHBondContact O-N 3.16Å; I52-S54 PolarHBondContact O-N 2.88Å; I52-A72 HydrophobicContact CD1-CB 3.7Å; I52-S80 VanDerWaalsContact CG2-CB 3.5Å; I52-S80 WeakPolarHBondContact CG2-OG 3.36Å; I52-V89 HydrophobicContact CB-CG2 4.44Å; I52-V89 HydrophobicContact CG2-CG2 4.21Å | ||
| 53 | S | 84 | Confident | 88.2 | Confident | 68 Ų | 68 | 36.4 Ų | 36.4 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | trans | 49.1 | 42.4 | -174.7 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | D51 C629 | D51-S53 PolarHBondContact OD1-N 2.8Å; S53-C629 VanDerWaalsContact C-SG 3.54Å; S53-C629 PolarHBondContact O-SG 3.37Å | ||
| 54 | S | 90.3 | Very high | 88.5 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | trans | -64.7 | 150 | 177.9 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | N35 I52 H56 V58 C629 | N35-S54 VanDerWaalsContact CA-OG 3.23Å; N35-S54 WeakPolarHBondContact CA-OG 3.44Å; N35-S54 WeakPolarHBondContact CB-O 3.45Å; N35-S54 WeakPolarHBondContact CB-OG 3.39Å; N35-S54 PolarHBondContact ND2-O 2.97Å; N35-S54 VanDerWaalsContact ND2-O 3.13Å; N35-S54 PolarHBondContact O-N 3.06Å; N35-S54 PolarHBondContact O-OG 3.29Å; I52-S54 PolarHBondContact O-N 2.88Å; S54-H56 PolarHBondContact O-N 3.43Å; S54-H56 PolarHBondContact OG-O 3.25Å; S54-V58 WeakPolarHBondContact OG-CG2 3.47Å; S54-C629 PolarHBondContact O-SG 3.44Å | ||
| 55 | S | 90.5 | Very high | 89.1 | Confident | 38 Ų | 38 | 27.3 Ų | 27.3 | 27% | 0.266 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -69.9 | -17.4 | -179.3 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | N74 L631 | S55-N74 PolarHBondContact OG-ND2 2.85Å; S55-L631 VanDerWaalsContact O-CB 3.29Å; S55-L631 WeakPolarHBondContact O-CB 3.43Å; S55-L631 WeakPolarHBondContact O-CG 3.31Å; S55-L631 PolarHBondContact O-N 3.38Å |
| 56 | H | 91.7 | Very high | 89.2 | Confident | 27 Ų | 27 | 27.3 Ų | 27.3 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -144.1 | 170.2 | -178.8 | -61.7 | 78.2 | 0 | 0 | 0 | 109.1 | S54 N74 E75 V76 N630 | S54-H56 PolarHBondContact O-N 3.43Å; S54-H56 PolarHBondContact OG-O 3.25Å; H56-N74 HydrophobicContact CB-CB 4.2Å; H56-E75 HydrophobicContact CB-CG 4.09Å; H56-V76 HydrophobicContact CB-CG2 4.39Å; H56-N630 WeakPolarHBondContact CA-OD1 2.98Å |
| 57 | D | 92.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | trans | -58.4 | 141.2 | 177.7 | -68.5 | -26.2 | 0 | 0 | 0 | 112.5 | K16 G34 N74 E75 N630 S632 | K16-D57 VanDerWaalsContact CE-OD2 3.32Å; K16-D57 WeakPolarHBondContact CE-OD2 3.25Å; K16-D57 IonicContact NZ-OD1 3.73Å; K16-D57 PolarHBondContact NZ-OD1 3.48Å; K16-D57 IonicContact NZ-OD2 3.11Å; K16-D57 PolarHBondContact NZ-OD2 3.46Å; G34-D57 WeakPolarHBondContact CA-OD1 3.41Å; G34-D57 CarbonylContact O-C 3.57Å; G34-D57 WeakPolarHBondContact O-CA 3.35Å; D57-N74 CarbonylContact O-C 3.58Å; D57-N74 WeakPolarHBondContact O-CA 3.44Å; D57-N74 WeakPolarHBondContact O-CB 3.49Å; D57-E75 HydrophobicContact CB-CG 3.83Å; D57-E75 WeakPolarHBondContact O-CG 3.48Å; D57-E75 PolarHBondContact O-N 3.4Å; D57-N630 PolarHBondContact OD1-ND2 2.71Å; D57-S632 PolarHBondContact N-OG 3.43Å | ||
| 58 | V | 94.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.6 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | P32 G34 S54 L61 A72 | P32-V58 HydrophobicContact CB-CB 4.12Å; P32-V58 HydrophobicContact CB-CG1 4.31Å; P32-V58 WeakPolarHBondContact CB-O 3.26Å; G34-V58 PolarHBondContact O-N 2.71Å; S54-V58 WeakPolarHBondContact OG-CG2 3.47Å; V58-L61 HydrophobicContact CG1-CD2 3.57Å; V58-A72 HydrophobicContact CG1-CB 4Å |
| 59 | H | 93 | Very high | 89.6 | Confident | 52 Ų | 52 | 29.5 Ų | 29.5 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -34 | 178.6 | -83.4 | -84.5 | 0 | 0 | 0 | 113.7 | G18 S19 I73 E75 | G18-H59 CarbonylContact C-O 3.55Å; G18-H59 WeakPolarHBondContact CA-O 3.44Å; S19-H59 PolarHBondContact N-O 3.4Å; H59-I73 PolarHBondContact N-O 2.84Å; H59-E75 WeakPolarHBondContact CD2-CG 3.42Å; H59-E75 IonicContact CD2-OE1 3.54Å; H59-E75 IonicContact CE1-OE1 3.63Å; H59-E75 WeakPolarHBondContact NE2-CG 3.25Å; H59-E75 IonicContact NE2-OE1 3.95Å; H59-E75 PolarHBondContact NE2-OE1 2.81Å |
| 60 | H | 94.5 | Very high | 89.9 | Confident | 37 Ų | 37 | 28.9 Ų | 28.9 | 17% | 0.171 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135 | -172 | -58 | -69.4 | 0 | 0 | 0 | 112.2 | S19 A72 I73 V99 L100 V102 | S19-H60 WeakPolarHBondContact OG-CA 3.4Å; H60-A72 WeakPolarHBondContact O-CA 3.3Å; H60-I73 HydrophobicContact CB-CB 4.31Å; H60-I73 PolarHBondContact N-O 3.39Å; H60-I73 PolarHBondContact O-N 2.89Å; H60-V99 PolarHBondContact CD2-O 2.76Å; H60-V99 PolarHBondContact NE2-O 2.79Å; H60-L100 PolarHBondContact CE1-O 3.41Å; H60-L100 PolarHBondContact NE2-O 3.22Å; H60-V102 HydrophobicContact CB-CG1 3.7Å |
| 61 | L | 94.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.1 | 178.7 | -58.6 | -175.3 | 0 | 0 | 0 | 109.3 | S19 V21 L30 I37 V58 L70 V71 A72 | S19-L61 PolarHBondContact OG-N 3.39Å; V21-L61 HydrophobicContact CG2-CB 3.91Å; L30-L61 HydrophobicContact CB-CD1 4.06Å; I37-L61 HydrophobicContact CD1-CD1 4.12Å; I37-L61 HydrophobicContact CD1-CD2 3.29Å; I37-L61 HydrophobicContact CD1-CG 4.36Å; I37-L61 HydrophobicContact CG1-CD2 4.17Å; I37-L61 HydrophobicContact CG2-CD1 4.5Å; V58-L61 HydrophobicContact CG1-CD2 3.57Å; L61-L70 HydrophobicContact CB-CD1 4.3Å; L61-L70 HydrophobicContact CD2-CD1 4.47Å; L61-V71 WeakPolarHBondContact CA-O 3.38Å; L61-A72 HydrophobicContact CD2-CB 3.78Å |
| 62 | A | 93.7 | Very high | 90.6 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 5% | 0.05 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | V71 V102 F104 | A62-V71 HydrophobicContact CB-CB 4.46Å; A62-V71 PolarHBondContact N-O 2.68Å; A62-V71 PolarHBondContact O-N 2.94Å; A62-V102 HydrophobicContact CB-CB 4.44Å; A62-V102 HydrophobicContact CB-CG1 3.95Å; A62-V102 HydrophobicContact CB-CG2 3.77Å; A62-F104 HydrophobicContact CB-CD2 3.76Å; A62-F104 HydrophobicContact CB-CE2 3.85Å |
| 63 | L | 93.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.8 | 177.7 | -71.6 | 176 | 0 | 0 | 0 | 110.5 | V21 F22 L30 L70 L84 F104 | V21-L63 HydrophobicContact CG1-CD1 3.8Å; V21-L63 HydrophobicContact CG1-CG 4.18Å; F22-L63 WeakPolarHBondContact O-CD1 3.28Å; L30-L63 HydrophobicContact CD1-CD1 3.86Å; L30-L63 HydrophobicContact CD1-CD2 3.75Å; L30-L63 HydrophobicContact CD1-CG 4.06Å; L63-L70 HydrophobicContact CD2-CB 3.97Å; L63-L70 HydrophobicContact CD2-CD1 3.57Å; L63-L70 HydrophobicContact CD2-CG 4.32Å; L63-L70 HydrophobicContact CG-CD1 4.13Å; L63-L84 HydrophobicContact CD2-CD1 3.41Å; L63-L84 VanDerWaalsContact CD2-CD1 3.41Å; L63-L84 HydrophobicContact CD2-CD2 4.33Å; L63-L84 HydrophobicContact CD2-CG 4.38Å; L63-F104 WeakPolarHBondContact O-CD2 3.4Å |
| 64 | S | 92.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -70.3 | 129.9 | 171.1 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | N24 S66 I67 L69 | N24-S64 PolarHBondContact ND2-O 2.91Å; S64-S66 VanDerWaalsContact C-N 3.28Å; S64-S66 PolarHBondContact O-N 2.87Å; S64-S66 PolarHBondContact OG-N 3.46Å; S64-S66 PolarHBondContact OG-OG 2.83Å; S64-I67 WeakPolarHBondContact CB-O 3.24Å; S64-I67 PolarHBondContact OG-N 2.81Å; S64-L69 PolarHBondContact N-O 3.39Å | ||
| 65 | P | 89.3 | Confident | 91.5 | Very high | 58 Ų | 58 | 25.2 Ų | 25.2 | 38% | 0.377 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -73.2 | -19.4 | 178.4 | 28.1 | -33.6 | 0 | 0 | 0 | 113.2 | S105 | P65-S105 WeakPolarHBondContact CG-O 3.39Š|
| 66 | S | 83.4 | Confident | 91.5 | Very high | 73 Ų | 73 | 26.3 Ų | 26.3 | 51% | 0.51 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -103.9 | -33.4 | -173.2 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | S64 | S64-S66 VanDerWaalsContact C-N 3.28Å; S64-S66 PolarHBondContact O-N 2.87Å; S64-S66 PolarHBondContact OG-N 3.46Å; S64-S66 PolarHBondContact OG-OG 2.83Å |
| 67 | I | 83.5 | Confident | 91.5 | Very high | 52 Ų | 52 | 25 Ų | 25 | 27% | 0.267 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -120.6 | 147.8 | -175 | -58.3 | 162.5 | 0 | 0 | 0 | 108.4 | S64 L69 P127 | S64-I67 WeakPolarHBondContact CB-O 3.24Å; S64-I67 PolarHBondContact OG-N 2.81Å; I67-L69 HydrophobicContact CB-CB 4.43Å; I67-L69 HydrophobicContact CG2-CB 4.06Å; I67-L69 PolarHBondContact O-N 2.85Å; I67-P127 HydrophobicContact CG2-CB 4.46Å |
| 68 | S | 86.4 | Confident | 91.5 | Very high | 62 Ų | 62 | 26.2 Ų | 26.2 | 43% | 0.434 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -70.6 | 61.1 | 172.4 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | L84 | S68-L84 PolarHBondContact O-N 3.2Š|
| 69 | L | 89.3 | Confident | 91.5 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.8 | -175.5 | -178.1 | 140.1 | 0 | 0 | 0 | 110.9 | S64 I67 V71 C82 I90 F104 P125 | S64-L69 PolarHBondContact N-O 3.39Å; I67-L69 HydrophobicContact CB-CB 4.43Å; I67-L69 HydrophobicContact CG2-CB 4.06Å; I67-L69 PolarHBondContact O-N 2.85Å; L69-V71 HydrophobicContact CD2-CG2 3.84Å; L69-C82 WeakPolarHBondContact CA-O 3.34Å; L69-I90 HydrophobicContact CD1-CD1 4.09Å; L69-F104 HydrophobicContact CD2-CZ 4.04Å; L69-P125 HydrophobicContact CD1-CB 4.23Å; L69-P125 HydrophobicContact CD1-CG 3.69Å; L69-P125 HydrophobicContact CD2-CG 3.59Å; L69-P125 HydrophobicContact CG-CG 4.31Å |
| 70 | L | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.3 | 177.3 | 172.4 | 67.3 | 0 | 0 | 0 | 109.5 | L30 I37 I50 L61 L63 C82 L84 | L30-L70 HydrophobicContact CD1-CD1 4.05Å; L30-L70 HydrophobicContact CD1-CD2 4.3Å; I37-L70 HydrophobicContact CD1-CD2 3.58Å; I50-L70 HydrophobicContact CD1-CD2 4.45Å; L61-L70 HydrophobicContact CB-CD1 4.3Å; L61-L70 HydrophobicContact CD2-CD1 4.47Å; L63-L70 HydrophobicContact CD2-CB 3.97Å; L63-L70 HydrophobicContact CD2-CD1 3.57Å; L63-L70 HydrophobicContact CD2-CG 4.32Å; L63-L70 HydrophobicContact CG-CD1 4.13Å; L70-C82 HydrophobicContact CB-CB 4.32Å; L70-C82 PolarHBondContact N-O 3.16Å; L70-C82 PolarHBondContact O-N 2.94Å; L70-L84 HydrophobicContact CB-CD1 4.32Å; L70-L84 HydrophobicContact CB-CD2 3.75Å; L70-L84 HydrophobicContact CB-CG 3.95Å; L70-L84 HydrophobicContact CD2-CD2 4.01Å; L70-L84 HydrophobicContact CG-CD2 4.47Å |
| 71 | V | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.8 | 169.8 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | L61 A62 L69 I73 A79 L81 F104 L111 | L61-V71 WeakPolarHBondContact CA-O 3.38Å; A62-V71 HydrophobicContact CB-CB 4.46Å; A62-V71 PolarHBondContact N-O 2.68Å; A62-V71 PolarHBondContact O-N 2.94Å; L69-V71 HydrophobicContact CD2-CG2 3.84Å; V71-I73 HydrophobicContact CG1-CD1 4.47Å; V71-I73 HydrophobicContact CG1-CG1 4.13Å; V71-A79 HydrophobicContact CG1-CB 4.18Å; V71-L81 HydrophobicContact CB-CD2 4.2Å; V71-L81 HydrophobicContact CG1-CD2 3.99Å; V71-L81 HydrophobicContact CG2-CD2 3.53Å; V71-F104 HydrophobicContact CB-CE2 4.4Å; V71-F104 HydrophobicContact CG2-CE2 3.66Å; V71-F104 HydrophobicContact CG2-CZ 3.5Å; V71-F104 VanDerWaalsContact CG2-CZ 3.5Å; V71-L111 HydrophobicContact CG2-CD2 4.31Å |
| 72 | A | 94.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I37 I52 V58 H60 L61 A79 S80 | I37-A72 HydrophobicContact CD1-CB 3.95Å; I52-A72 HydrophobicContact CD1-CB 3.7Å; V58-A72 HydrophobicContact CG1-CB 4Å; H60-A72 WeakPolarHBondContact O-CA 3.3Å; L61-A72 HydrophobicContact CD2-CB 3.78Å; A72-A79 CarbonylContact O-C 3.59Å; A72-A79 WeakPolarHBondContact O-CA 3.43Å; A72-S80 PolarHBondContact N-O 2.91Å; A72-S80 PolarHBondContact O-N 2.75Å |
| 73 | I | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.6 | -176 | -49.6 | 179 | 0 | 0 | 0 | 109.5 | H59 H60 V71 D78 A79 F95 V99 V102 | H59-I73 PolarHBondContact N-O 2.84Å; H60-I73 HydrophobicContact CB-CB 4.31Å; H60-I73 PolarHBondContact N-O 3.39Å; H60-I73 PolarHBondContact O-N 2.89Å; V71-I73 HydrophobicContact CG1-CD1 4.47Å; V71-I73 HydrophobicContact CG1-CG1 4.13Å; I73-D78 WeakPolarHBondContact CA-O 3.28Å; I73-A79 HydrophobicContact CG1-CB 3.96Å; I73-F95 HydrophobicContact CD1-CE2 4.03Å; I73-V99 HydrophobicContact CD1-CB 4.38Å; I73-V99 HydrophobicContact CD1-CG1 3.8Å; I73-V99 HydrophobicContact CG2-CB 3.97Å; I73-V99 HydrophobicContact CG2-CG1 4.48Å; I73-V99 HydrophobicContact CG2-CG2 4.12Å; I73-V102 HydrophobicContact CD1-CB 3.86Å; I73-V102 HydrophobicContact CD1-CG1 3.95Å; I73-V102 HydrophobicContact CD1-CG2 4.01Å |
| 74 | N | 94.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 174.4 | 179.2 | 74.9 | 8.2 | 0 | 0 | 0 | 113.3 | S55 H56 D57 V76 G77 D78 | S55-N74 PolarHBondContact OG-ND2 2.85Å; H56-N74 HydrophobicContact CB-CB 4.2Å; D57-N74 CarbonylContact O-C 3.58Å; D57-N74 WeakPolarHBondContact O-CA 3.44Å; D57-N74 WeakPolarHBondContact O-CB 3.49Å; N74-V76 PolarHBondContact O-N 3.45Å; N74-V76 VanDerWaalsContact O-N 3.15Å; N74-V76 PolarHBondContact OD1-N 3.35Å; N74-V76 VanDerWaalsContact OD1-N 3.14Å; N74-G77 PolarHBondContact O-N 2.83Å; N74-G77 PolarHBondContact OD1-N 3.23Å; N74-D78 PolarHBondContact N-O 2.87Å; N74-D78 WeakPolarHBondContact ND2-CB 3.25Å; N74-D78 PolarHBondContact ND2-OD2 3.02Å; N74-D78 PolarHBondContact OD1-N 3.13Å; N74-D78 PolarHBondContact OD1-O 2.77Å |
| 75 | E | 90 | Very high | 89.6 | Confident | 72 Ų | 72 | 23.7 Ų | 23.7 | 34% | 0.336 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.7 | -178.8 | -23.5 | -165.9 | 99.5 | 0 | 0 | 113.6 | H56 D57 H59 S632 | H56-E75 HydrophobicContact CB-CG 4.09Å; D57-E75 HydrophobicContact CB-CG 3.83Å; D57-E75 WeakPolarHBondContact O-CG 3.48Å; D57-E75 PolarHBondContact O-N 3.4Å; H59-E75 WeakPolarHBondContact CD2-CG 3.42Å; H59-E75 IonicContact CD2-OE1 3.54Å; H59-E75 IonicContact CE1-OE1 3.63Å; H59-E75 WeakPolarHBondContact NE2-CG 3.25Å; H59-E75 IonicContact NE2-OE1 3.95Å; H59-E75 PolarHBondContact NE2-OE1 2.81Å; E75-S632 PolarHBondContact OE2-OG 3.44Å |
| 76 | V | 89.8 | Confident | 89 | Confident | 60 Ų | 60 | 25 Ų | 25 | 36% | 0.364 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -22 | -178.4 | -179.8 | 0 | 0 | 0 | 0 | 112 | H56 N74 G97 | H56-V76 HydrophobicContact CB-CG2 4.39Å; N74-V76 PolarHBondContact O-N 3.45Å; N74-V76 VanDerWaalsContact O-N 3.15Å; N74-V76 PolarHBondContact OD1-N 3.35Å; N74-V76 VanDerWaalsContact OD1-N 3.14Å; V76-G97 CarbonylContact O-C 3.58Å |
| 77 | G | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | 99.5 | 18.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | N74 F95 G97 | N74-G77 PolarHBondContact O-N 2.83Å; N74-G77 PolarHBondContact OD1-N 3.23Å; G77-F95 VanDerWaalsContact O-CB 3.23Å; G77-F95 WeakPolarHBondContact O-CB 3.36Å; G77-F95 VanDerWaalsContact O-CD2 3.23Å; G77-F95 WeakPolarHBondContact O-CD2 3.21Å; G77-F95 PolarHBondContact O-N 3.4Å; G77-G97 WeakPolarHBondContact CA-O 3.42Å | ||
| 78 | D | 93.7 | Very high | 88.6 | Confident | 36 Ų | 36 | 22 Ų | 22 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.6 | 166.6 | -52.9 | -40 | 0 | 0 | 0 | 109.6 | I73 N74 V92 P94 | I73-D78 WeakPolarHBondContact CA-O 3.28Å; N74-D78 PolarHBondContact N-O 2.87Å; N74-D78 WeakPolarHBondContact ND2-CB 3.25Å; N74-D78 PolarHBondContact ND2-OD2 3.02Å; N74-D78 PolarHBondContact OD1-N 3.13Å; N74-D78 PolarHBondContact OD1-O 2.77Å; D78-V92 HydrophobicContact CB-CG1 4.16Å; D78-P94 WeakPolarHBondContact OD1-CA 3.41Å; D78-P94 WeakPolarHBondContact OD1-CB 3.29Å |
| 79 | A | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V71 A72 I73 V92 Y93 F95 | V71-A79 HydrophobicContact CG1-CB 4.18Å; A72-A79 CarbonylContact O-C 3.59Å; A72-A79 WeakPolarHBondContact O-CA 3.43Å; I73-A79 HydrophobicContact CG1-CB 3.96Å; A79-V92 CarbonylContact O-C 3.54Å; A79-V92 WeakPolarHBondContact O-CA 3.47Å; A79-Y93 PolarHBondContact N-O 3.49Å; A79-Y93 PolarHBondContact O-N 3.49Å; A79-F95 HydrophobicContact CB-CD2 4.05Å; A79-F95 HydrophobicContact CB-CE2 3.49Å; A79-F95 VanDerWaalsContact CB-CE2 3.49Å; A79-F95 HydrophobicContact CB-CZ 4.27Å |
| 80 | S | 92.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.9 | 171.1 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | I52 A72 | I52-S80 VanDerWaalsContact CG2-CB 3.5Å; I52-S80 WeakPolarHBondContact CG2-OG 3.36Å; A72-S80 PolarHBondContact N-O 2.91Å; A72-S80 PolarHBondContact O-N 2.75Å |
| 81 | L | 92.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.7 | 172.2 | -59.6 | -175.3 | 0 | 0 | 0 | 108.8 | V71 I90 S91 P125 H133 L134 | V71-L81 HydrophobicContact CB-CD2 4.2Å; V71-L81 HydrophobicContact CG1-CD2 3.99Å; V71-L81 HydrophobicContact CG2-CD2 3.53Å; L81-I90 WeakPolarHBondContact O-CB 3.48Å; L81-I90 PolarHBondContact O-N 3.09Å; L81-S91 WeakPolarHBondContact CD1-OG 3.35Å; L81-S91 PolarHBondContact N-O 3.35Å; L81-P125 HydrophobicContact CD1-CB 4.07Å; L81-P125 HydrophobicContact CD1-CG 4.34Å; L81-P125 HydrophobicContact CD2-CG 4.49Å; L81-H133 HydrophobicContact CD1-CB 3.54Å; L81-L134 HydrophobicContact CD1-CD2 4.49Å; L81-L134 HydrophobicContact CD1-CG 4.18Å; L81-L134 HydrophobicContact CD2-CD1 4.47Å |
| 82 | C | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.8 | -174.7 | -56 | 0 | 0 | 0 | 0 | 111.1 | L69 L70 A88 | L69-C82 WeakPolarHBondContact CA-O 3.34Å; L70-C82 HydrophobicContact CB-CB 4.32Å; L70-C82 PolarHBondContact N-O 3.16Å; L70-C82 PolarHBondContact O-N 2.94Å; C82-A88 WeakPolarHBondContact CA-O 3.46Å |
| 83 | S | 86.7 | Confident | 88.2 | Confident | 18 Ų | 18 | 32 Ų | 32 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.4 | 168.1 | 169.3 | 0 | 0 | 0 | 0 | 108.9 | S85 T86 G87 A88 | S83-S85 VanDerWaalsContact C-N 3.35Å; S83-S85 PolarHBondContact OG-OG 3.38Å; S83-T86 VanDerWaalsContact CB-OG1 3.23Å; S83-T86 WeakPolarHBondContact CB-OG1 3.31Å; S83-T86 PolarHBondContact OG-N 3.16Å; S83-T86 PolarHBondContact OG-OG1 3.46Å; S83-G87 CarbonylContact O-C 3.58Å; S83-G87 WeakPolarHBondContact O-CA 3.41Å; S83-G87 PolarHBondContact O-N 3.33Å; S83-A88 PolarHBondContact N-O 3.24Å |
| 84 | L | 83 | Confident | 88 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -27.9 | 178.1 | -68.9 | 166.3 | 0 | 0 | 0 | 112.5 | I50 L63 S68 L70 F724 | I50-L84 HydrophobicContact CD1-CD2 4.05Å; L63-L84 HydrophobicContact CD2-CD1 3.41Å; L63-L84 VanDerWaalsContact CD2-CD1 3.41Å; L63-L84 HydrophobicContact CD2-CD2 4.33Å; L63-L84 HydrophobicContact CD2-CG 4.38Å; S68-L84 PolarHBondContact O-N 3.2Å; L70-L84 HydrophobicContact CB-CD1 4.32Å; L70-L84 HydrophobicContact CB-CD2 3.75Å; L70-L84 HydrophobicContact CB-CG 3.95Å; L70-L84 HydrophobicContact CD2-CD2 4.01Å; L70-L84 HydrophobicContact CG-CD2 4.47Å; L84-F724 HydrophobicContact CB-CD1 4.02Å; L84-F724 HydrophobicContact CB-CD2 4.17Å; L84-F724 HydrophobicContact CB-CE1 4.17Å; L84-F724 HydrophobicContact CB-CE2 4.34Å; L84-F724 HydrophobicContact CB-CG 4.02Å; L84-F724 HydrophobicContact CB-CZ 4.35Å; L84-F724 HydrophobicContact CD1-CE1 4.26Å; L84-F724 HydrophobicContact CD2-CE1 4.11Å; L84-F724 HydrophobicContact CD2-CE2 4.22Å; L84-F724 HydrophobicContact CD2-CZ 3.81Å; L84-F724 HydrophobicContact CG-CE1 4.41Å; L84-F724 WeakPolarHBondContact O-CD2 3.34Å |
| 85 | S | 77.7 | Confident | 87.9 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -35.2 | -179.7 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | S83 | S83-S85 VanDerWaalsContact C-N 3.35Å; S83-S85 PolarHBondContact OG-OG 3.38Å |
| 86 | T | 75.4 | Confident | 87.8 | Confident | 84 Ų | 84 | 40.2 Ų | 40.2 | 52% | 0.515 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -17.1 | -179.4 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | S83 A88 | S83-T86 VanDerWaalsContact CB-OG1 3.23Å; S83-T86 WeakPolarHBondContact CB-OG1 3.31Å; S83-T86 PolarHBondContact OG-N 3.16Å; S83-T86 PolarHBondContact OG-OG1 3.46Å; T86-A88 PolarHBondContact O-N 3.16Å; T86-A88 PolarHBondContact OG1-N 2.81Å |
| 87 | G | 77.7 | Confident | 87.7 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | trans | 71.9 | -1.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | S83 | S83-G87 CarbonylContact O-C 3.58Å; S83-G87 WeakPolarHBondContact O-CA 3.41Å; S83-G87 PolarHBondContact O-N 3.33Å | ||
| 88 | A | 81.8 | Confident | 87.6 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | trans | -79 | 141.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C82 S83 T86 I90 | C82-A88 WeakPolarHBondContact CA-O 3.46Å; S83-A88 PolarHBondContact N-O 3.24Å; T86-A88 PolarHBondContact O-N 3.16Å; T86-A88 PolarHBondContact OG1-N 2.81Å; A88-I90 PolarHBondContact O-N 2.94Å | ||
| 89 | V | 87 | Confident | 87.6 | Confident | 50 Ų | 50 | 41 Ų | 41 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.1 | 167.3 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | I52 V92 | I52-V89 HydrophobicContact CB-CG2 4.44Å; I52-V89 HydrophobicContact CG2-CG2 4.21Å; V89-V92 HydrophobicContact CG1-CG2 4.05Å |
| 90 | I | 87.3 | Confident | 87.5 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -49.1 | -179.7 | -57.1 | 172.1 | 0 | 0 | 0 | 110.2 | L69 L81 A88 | L69-I90 HydrophobicContact CD1-CD1 4.09Å; L81-I90 WeakPolarHBondContact O-CB 3.48Å; L81-I90 PolarHBondContact O-N 3.09Å; A88-I90 PolarHBondContact O-N 2.94Å |
| 91 | S | 89.5 | Confident | 87.5 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 162.4 | 178.8 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | L81 H133 | L81-S91 WeakPolarHBondContact CD1-OG 3.35Å; L81-S91 PolarHBondContact N-O 3.35Å; S91-H133 PolarHBondContact OG-CD2 2.95Å |
| 92 | V | 91 | Very high | 87.7 | Confident | 86 Ų | 86 | 44.8 Ų | 44.8 | 52% | 0.521 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.1 | 175.8 | -179 | 0 | 0 | 0 | 0 | 108.5 | D78 A79 V89 | D78-V92 HydrophobicContact CB-CG1 4.16Å; A79-V92 CarbonylContact O-C 3.54Å; A79-V92 WeakPolarHBondContact O-CA 3.47Å; V89-V92 HydrophobicContact CG1-CG2 4.05Å |
| 93 | Y | 91.8 | Very high | 87.9 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 28% | 0.275 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.3 | 179.7 | -173.8 | -86.8 | 0 | 0 | 0 | 110.9 | A79 F95 L134 | A79-Y93 PolarHBondContact N-O 3.49Å; A79-Y93 PolarHBondContact O-N 3.49Å; Y93-F95 AromaticContact CD1-CD1 3.81Å; Y93-F95 HydrophobicContact CD1-CD1 3.81Å; Y93-F95 AromaticContact CD1-CE1 3.67Å; Y93-F95 HydrophobicContact CD1-CE1 3.67Å; Y93-F95 HydrophobicContact CD1-CG 4.24Å; Y93-F95 HydrophobicContact CD1-CZ 4.05Å; Y93-F95 AromaticContact CE1-CD1 3.55Å; Y93-F95 HydrophobicContact CE1-CD1 3.55Å; Y93-F95 AromaticContact CE1-CE1 3.57Å; Y93-F95 HydrophobicContact CE1-CE1 3.57Å; Y93-F95 HydrophobicContact CE1-CG 4.32Å; Y93-F95 HydrophobicContact CE1-CZ 4.39Å; Y93-F95 PolarHBondContact O-N 3.25Å; Y93-L134 HydrophobicContact CD1-CD1 4.07Å; Y93-L134 HydrophobicContact CD2-CB 4.15Å; Y93-L134 HydrophobicContact CD2-CD1 4.35Å; Y93-L134 HydrophobicContact CE2-CB 4.29Å; Y93-L134 HydrophobicContact CG-CB 4.45Å; Y93-L134 HydrophobicContact CG-CD1 3.84Å |
| 94 | P | 92.9 | Very high | 88.3 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 111.2 | 179.9 | 31.2 | -32.5 | 0 | 0 | 0 | 111.7 | D78 K96 | D78-P94 WeakPolarHBondContact OD1-CA 3.41Å; D78-P94 WeakPolarHBondContact OD1-CB 3.29Å; P94-K96 PolarHBondContact O-N 2.97Å |
| 95 | F | 91.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | trans | -71.9 | -16.2 | 174.9 | -70.1 | -65.7 | 0 | 0 | 0 | 113.2 | I73 G77 A79 Y93 V99 V113 K115 F122 L134 | I73-F95 HydrophobicContact CD1-CE2 4.03Å; G77-F95 VanDerWaalsContact O-CB 3.23Å; G77-F95 WeakPolarHBondContact O-CB 3.36Å; G77-F95 VanDerWaalsContact O-CD2 3.23Å; G77-F95 WeakPolarHBondContact O-CD2 3.21Å; G77-F95 PolarHBondContact O-N 3.4Å; A79-F95 HydrophobicContact CB-CD2 4.05Å; A79-F95 HydrophobicContact CB-CE2 3.49Å; A79-F95 VanDerWaalsContact CB-CE2 3.49Å; A79-F95 HydrophobicContact CB-CZ 4.27Å; Y93-F95 AromaticContact CD1-CD1 3.81Å; Y93-F95 HydrophobicContact CD1-CD1 3.81Å; Y93-F95 AromaticContact CD1-CE1 3.67Å; Y93-F95 HydrophobicContact CD1-CE1 3.67Å; Y93-F95 HydrophobicContact CD1-CG 4.24Å; Y93-F95 HydrophobicContact CD1-CZ 4.05Å; Y93-F95 AromaticContact CE1-CD1 3.55Å; Y93-F95 HydrophobicContact CE1-CD1 3.55Å; Y93-F95 AromaticContact CE1-CE1 3.57Å; Y93-F95 HydrophobicContact CE1-CE1 3.57Å; Y93-F95 HydrophobicContact CE1-CG 4.32Å; Y93-F95 HydrophobicContact CE1-CZ 4.39Å; Y93-F95 PolarHBondContact O-N 3.25Å; F95-V99 HydrophobicContact CB-CG2 4.18Å; F95-V99 HydrophobicContact CD2-CG2 3.71Å; F95-V99 HydrophobicContact CE2-CG2 4.4Å; F95-V99 HydrophobicContact CG-CG2 4.12Å; F95-V113 HydrophobicContact CD2-CG1 4.37Å; F95-V113 HydrophobicContact CE1-CG1 4.28Å; F95-V113 HydrophobicContact CE1-CG2 4.34Å; F95-V113 HydrophobicContact CE2-CG1 4.03Å; F95-V113 HydrophobicContact CE2-CG2 4.39Å; F95-V113 HydrophobicContact CZ-CB 4.41Å; F95-V113 HydrophobicContact CZ-CG1 4.02Å; F95-V113 HydrophobicContact CZ-CG2 3.83Å; F95-K115 VanDerWaalsContact O-CE 3.28Å; F95-K115 WeakPolarHBondContact O-CE 3.49Å; F95-K115 PolarHBondContact O-NZ 3.05Å; F95-F122 HydrophobicContact CD1-CE2 4.44Å; F95-F122 HydrophobicContact CD1-CZ 4.26Å; F95-F122 HydrophobicContact CE1-CD2 4.44Å; F95-F122 HydrophobicContact CE1-CE1 4.43Å; F95-F122 AromaticContact CE1-CE2 3.57Å; F95-F122 HydrophobicContact CE1-CE2 3.57Å; F95-F122 AromaticContact CE1-CZ 3.58Å; F95-F122 HydrophobicContact CE1-CZ 3.58Å; F95-F122 HydrophobicContact CZ-CE2 4.32Å; F95-L134 HydrophobicContact CZ-CD1 4.17Å | ||
| 96 | K | 88 | Confident | 89.5 | Confident | 172 Ų | 172 | 46.7 Ų | 46.7 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 57.1 | 56 | -177.6 | -56.2 | -179.3 | -178.9 | 178.6 | 0 | 112.7 | P94 K115 | P94-K96 PolarHBondContact O-N 2.97Å; K96-K115 WeakPolarHBondContact O-CE 3.47Å; K96-K115 PolarHBondContact O-NZ 3.49Å |
| 97 | G | 87.3 | Confident | 90.2 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 153.1 | 158.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | V76 G77 V99 | V76-G97 CarbonylContact O-C 3.58Å; G77-G97 WeakPolarHBondContact CA-O 3.42Å; G97-V99 PolarHBondContact O-N 2.93Å |
| 98 | V | 88.8 | Confident | 90.8 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | trans | -62.8 | 127.3 | -174.2 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | L100 G116 | V98-L100 HydrophobicContact CG1-CD2 3.95Å; V98-L100 HydrophobicContact CG1-CG 4.32Å; V98-G116 PolarHBondContact O-N 3.28Å | ||
| 99 | V | 93.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.1 | 170.1 | 175.9 | 0 | 0 | 0 | 0 | 107.5 | H60 I73 F95 G97 V113 A114 | H60-V99 PolarHBondContact CD2-O 2.76Å; H60-V99 PolarHBondContact NE2-O 2.79Å; I73-V99 HydrophobicContact CD1-CB 4.38Å; I73-V99 HydrophobicContact CD1-CG1 3.8Å; I73-V99 HydrophobicContact CG2-CB 3.97Å; I73-V99 HydrophobicContact CG2-CG1 4.48Å; I73-V99 HydrophobicContact CG2-CG2 4.12Å; F95-V99 HydrophobicContact CB-CG2 4.18Å; F95-V99 HydrophobicContact CD2-CG2 3.71Å; F95-V99 HydrophobicContact CE2-CG2 4.4Å; F95-V99 HydrophobicContact CG-CG2 4.12Å; G97-V99 PolarHBondContact O-N 2.93Å; V99-V113 HydrophobicContact CB-CG1 4.35Å; V99-V113 HydrophobicContact CG1-CG1 3.6Å; V99-V113 HydrophobicContact CG2-CG1 3.76Å; V99-A114 VanDerWaalsContact CA-O 3.29Å; V99-A114 WeakPolarHBondContact CA-O 3.47Å |
| 100 | L | 92.6 | Very high | 91.6 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.293 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -20.2 | -176.4 | -67.4 | 171.6 | 0 | 0 | 0 | 113.3 | H60 V98 A114 N146 V147 | H60-L100 PolarHBondContact CE1-O 3.41Å; H60-L100 PolarHBondContact NE2-O 3.22Å; V98-L100 HydrophobicContact CG1-CD2 3.95Å; V98-L100 HydrophobicContact CG1-CG 4.32Å; L100-A114 PolarHBondContact N-O 2.99Å; L100-N146 HydrophobicContact CD1-CB 3.49Å; L100-N146 VanDerWaalsContact CD1-CB 3.49Å; L100-V147 VanDerWaalsContact CB-O 3.22Å; L100-V147 WeakPolarHBondContact CB-O 3.32Å |
| 101 | A | 93.6 | Very high | 92 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 146.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A114 I150 | A101-A114 HydrophobicContact CB-CB 3.9Å; A101-A114 PolarHBondContact O-N 3.09Å; A101-I150 HydrophobicContact CB-CD1 4.16Å; A101-I150 HydrophobicContact CB-CG1 4.16Å |
| 102 | V | 95 | Very high | 92.3 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 13% | 0.127 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 137.7 | 176.1 | 55.5 | 0 | 0 | 0 | 0 | 108.4 | H60 A62 I73 L111 A112 V113 | H60-V102 HydrophobicContact CB-CG1 3.7Å; A62-V102 HydrophobicContact CB-CB 4.44Å; A62-V102 HydrophobicContact CB-CG1 3.95Å; A62-V102 HydrophobicContact CB-CG2 3.77Å; I73-V102 HydrophobicContact CD1-CB 3.86Å; I73-V102 HydrophobicContact CD1-CG1 3.95Å; I73-V102 HydrophobicContact CD1-CG2 4.01Å; V102-L111 HydrophobicContact CG2-CD1 3.55Å; V102-L111 HydrophobicContact CG2-CG 4.3Å; V102-A112 CarbonylContact C-O 3.57Å; V102-A112 WeakPolarHBondContact CA-O 3.28Å; V102-V113 HydrophobicContact CG2-CG2 4.21Å |
| 103 | S | 94.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 130.8 | -179 | -169 | 0 | 0 | 0 | 0 | 111.4 | A112 W152 | S103-A112 PolarHBondContact N-O 3.48Å; S103-A112 PolarHBondContact O-N 3.14Å; S103-W152 PolarHBondContact O-NE1 3.47Å; S103-W152 VanDerWaalsContact O-NE1 3.13Å |
| 104 | F | 95 | Very high | 92.7 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 146 | 171.9 | -82.7 | -81.4 | 0 | 0 | 0 | 110.9 | A62 L63 L69 V71 L111 W152 | A62-F104 HydrophobicContact CB-CD2 3.76Å; A62-F104 HydrophobicContact CB-CE2 3.85Å; L63-F104 WeakPolarHBondContact O-CD2 3.4Å; L69-F104 HydrophobicContact CD2-CZ 4.04Å; V71-F104 HydrophobicContact CB-CE2 4.4Å; V71-F104 HydrophobicContact CG2-CE2 3.66Å; V71-F104 HydrophobicContact CG2-CZ 3.5Å; V71-F104 VanDerWaalsContact CG2-CZ 3.5Å; F104-L111 HydrophobicContact CD1-CB 4.2Å; F104-L111 HydrophobicContact CD1-CD1 3.94Å; F104-L111 HydrophobicContact CD2-CD1 3.82Å; F104-L111 HydrophobicContact CE1-CB 4.05Å; F104-L111 HydrophobicContact CE1-CD1 3.89Å; F104-L111 HydrophobicContact CE1-CG 4.4Å; F104-L111 HydrophobicContact CE2-CD1 3.77Å; F104-L111 HydrophobicContact CG-CD1 3.91Å; F104-L111 HydrophobicContact CZ-CD1 3.81Å; F104-L111 HydrophobicContact CZ-CD2 4.44Å; F104-W152 PolarHBondContact O-NE1 2.93Å |
| 105 | S | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -64.7 | 144.4 | 167.3 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | P65 D107 G108 K109 F110 | P65-S105 WeakPolarHBondContact CG-O 3.39Å; S105-D107 VanDerWaalsContact CB-OD1 3.3Å; S105-D107 WeakPolarHBondContact CB-OD1 3.45Å; S105-D107 PolarHBondContact O-N 3.34Å; S105-D107 VanDerWaalsContact O-N 3.15Å; S105-D107 PolarHBondContact OG-OD1 3Å; S105-G108 WeakPolarHBondContact O-CA 3.48Å; S105-G108 PolarHBondContact O-N 3.18Å; S105-K109 PolarHBondContact OG-N 3.08Å; S105-F110 PolarHBondContact N-O 3.16Å; S105-F110 PolarHBondContact OG-N 3.27Å; S105-F110 PolarHBondContact OG-O 3.22Å | ||
| 106 | P | 91.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 36 Ų | 36 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.4 | 179.4 | -31.4 | 36.7 | 0 | 0 | 0 | 115.1 | G108 W152 S153 S156 | P106-G108 VanDerWaalsContact C-N 3.26Å; P106-G108 PolarHBondContact O-N 3.02Å; P106-W152 VanDerWaalsContact CD-CB 3.46Å; P106-W152 HydrophobicContact CG-CB 3.99Å; P106-S153 WeakPolarHBondContact CG-O 3.38Å; P106-S156 VanDerWaalsContact CD-OG 3.31Å; P106-S156 WeakPolarHBondContact CD-OG 3.41Å |
| 107 | D | 89.1 | Confident | 92.9 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.8 | 173.8 | 71.8 | -8.8 | 0 | 0 | 0 | 113.9 | S105 K109 S156 | S105-D107 VanDerWaalsContact CB-OD1 3.3Å; S105-D107 WeakPolarHBondContact CB-OD1 3.45Å; S105-D107 PolarHBondContact O-N 3.34Å; S105-D107 VanDerWaalsContact O-N 3.15Å; S105-D107 PolarHBondContact OG-OD1 3Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.44Å; D107-K109 PolarHBondContact OD1-N 3Å; D107-K109 VanDerWaalsContact OD2-CD 3.31Å; D107-K109 WeakPolarHBondContact OD2-CD 3.41Å; D107-K109 WeakPolarHBondContact OD2-CG 3.45Å; D107-S156 PolarHBondContact N-OG 2.87Å; D107-S156 VanDerWaalsContact N-OG 3.08Å; D107-S156 PolarHBondContact OD1-OG 3.47Å |
| 108 | G | 91.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 69.3 | 16.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S105 P106 S124 | S105-G108 WeakPolarHBondContact O-CA 3.48Å; S105-G108 PolarHBondContact O-N 3.18Å; P106-G108 VanDerWaalsContact C-N 3.26Å; P106-G108 PolarHBondContact O-N 3.02Å; G108-S124 WeakPolarHBondContact O-CB 2.94Å; G108-S124 PolarHBondContact O-OG 3.22Å |
| 109 | K | 91.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 27.5 Ų | 27.5 | 55% | 0.552 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -91.1 | -24.4 | 179.5 | -67.4 | -173.8 | -170.9 | 165.1 | 0 | 114.5 | S105 D107 S124 | S105-K109 PolarHBondContact OG-N 3.08Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.44Å; D107-K109 PolarHBondContact OD1-N 3Å; D107-K109 VanDerWaalsContact OD2-CD 3.31Å; D107-K109 WeakPolarHBondContact OD2-CD 3.41Å; D107-K109 WeakPolarHBondContact OD2-CG 3.45Å; K109-S124 WeakPolarHBondContact CA-OG 3.23Å; K109-S124 PolarHBondContact O-N 3.38Å; K109-S124 PolarHBondContact O-OG 2.87Å |
| 110 | F | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 6% | 0.057 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154 | -175.9 | -59.5 | -79.3 | 0 | 0 | 0 | 111.8 | S105 L121 F122 F123 Y137 W152 V173 | S105-F110 PolarHBondContact N-O 3.16Å; S105-F110 PolarHBondContact OG-N 3.27Å; S105-F110 PolarHBondContact OG-O 3.22Å; F110-L121 HydrophobicContact CB-CD1 3.95Å; F110-L121 HydrophobicContact CB-CD2 4.47Å; F110-L121 HydrophobicContact CB-CG 4.24Å; F110-L121 HydrophobicContact CD1-CD2 4.08Å; F110-L121 HydrophobicContact CD1-CG 4.21Å; F110-L121 HydrophobicContact CG-CD2 4.31Å; F110-L121 HydrophobicContact CG-CG 4.48Å; F110-F122 CarbonylContact C-O 3.59Å; F110-F122 WeakPolarHBondContact CA-O 3.12Å; F110-F123 HydrophobicContact CD1-CD1 4.04Å; F110-F123 HydrophobicContact CD1-CE1 4.37Å; F110-F123 AromaticContact CE1-CD1 3.66Å; F110-F123 HydrophobicContact CE1-CD1 3.66Å; F110-F123 AromaticContact CE1-CE1 3.55Å; F110-F123 HydrophobicContact CE1-CE1 3.55Å; F110-F123 HydrophobicContact CZ-CD1 4.49Å; F110-F123 HydrophobicContact CZ-CE1 4.17Å; F110-Y137 HydrophobicContact CE1-CD1 4.16Å; F110-Y137 HydrophobicContact CE1-CD2 4.22Å; F110-Y137 HydrophobicContact CE1-CE1 4.42Å; F110-Y137 HydrophobicContact CE1-CE2 4.47Å; F110-Y137 HydrophobicContact CE1-CG 4.01Å; F110-W152 HydrophobicContact CB-CH2 4.06Å; F110-W152 HydrophobicContact CB-CZ2 4.35Å; F110-V173 HydrophobicContact CD2-CG1 4.35Å; F110-V173 HydrophobicContact CE1-CG1 4.38Å; F110-V173 HydrophobicContact CE2-CG1 3.96Å; F110-V173 HydrophobicContact CZ-CG1 3.97Å |
| 111 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 116.6 | 173 | 177.5 | 67.1 | 0 | 0 | 0 | 108.4 | V71 V102 F104 V113 F122 L134 | V71-L111 HydrophobicContact CG2-CD2 4.31Å; V102-L111 HydrophobicContact CG2-CD1 3.55Å; V102-L111 HydrophobicContact CG2-CG 4.3Å; F104-L111 HydrophobicContact CD1-CB 4.2Å; F104-L111 HydrophobicContact CD1-CD1 3.94Å; F104-L111 HydrophobicContact CD2-CD1 3.82Å; F104-L111 HydrophobicContact CE1-CB 4.05Å; F104-L111 HydrophobicContact CE1-CD1 3.89Å; F104-L111 HydrophobicContact CE1-CG 4.4Å; F104-L111 HydrophobicContact CE2-CD1 3.77Å; F104-L111 HydrophobicContact CG-CD1 3.91Å; F104-L111 HydrophobicContact CZ-CD1 3.81Å; F104-L111 HydrophobicContact CZ-CD2 4.44Å; L111-V113 HydrophobicContact CD2-CG2 4.23Å; L111-V113 HydrophobicContact CG-CG2 4.04Å; L111-F122 HydrophobicContact CB-CB 4.36Å; L111-F122 PolarHBondContact N-O 2.98Å; L111-F122 PolarHBondContact O-N 3.39Å; L111-L134 HydrophobicContact CD2-CD2 4.05Å |
| 112 | A | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V102 S103 V119 M120 L121 I150 W152 | V102-A112 CarbonylContact C-O 3.57Å; V102-A112 WeakPolarHBondContact CA-O 3.28Å; S103-A112 PolarHBondContact N-O 3.48Å; S103-A112 PolarHBondContact O-N 3.14Å; A112-V119 HydrophobicContact CB-CG1 4.38Å; A112-M120 CarbonylContact C-O 3.56Å; A112-M120 WeakPolarHBondContact CA-O 3.43Å; A112-L121 HydrophobicContact CB-CD1 3.85Å; A112-I150 HydrophobicContact CB-CD1 4.19Å; A112-I150 HydrophobicContact CB-CG2 4.05Å; A112-W152 HydrophobicContact CB-CZ2 3.66Å |
| 113 | V | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.9 | -178.6 | -177.2 | 0 | 0 | 0 | 0 | 109 | F95 V99 V102 L111 K115 M120 F122 | F95-V113 HydrophobicContact CD2-CG1 4.37Å; F95-V113 HydrophobicContact CE1-CG1 4.28Å; F95-V113 HydrophobicContact CE1-CG2 4.34Å; F95-V113 HydrophobicContact CE2-CG1 4.03Å; F95-V113 HydrophobicContact CE2-CG2 4.39Å; F95-V113 HydrophobicContact CZ-CB 4.41Å; F95-V113 HydrophobicContact CZ-CG1 4.02Å; F95-V113 HydrophobicContact CZ-CG2 3.83Å; V99-V113 HydrophobicContact CB-CG1 4.35Å; V99-V113 HydrophobicContact CG1-CG1 3.6Å; V99-V113 HydrophobicContact CG2-CG1 3.76Å; V102-V113 HydrophobicContact CG2-CG2 4.21Å; L111-V113 HydrophobicContact CD2-CG2 4.23Å; L111-V113 HydrophobicContact CG-CG2 4.04Å; V113-K115 PolarHBondContact O-N 2.99Å; V113-M120 PolarHBondContact N-O 3.32Å; V113-M120 PolarHBondContact O-N 2.96Å; V113-F122 HydrophobicContact CB-CE2 4.42Å; V113-F122 HydrophobicContact CG2-CD2 4.13Å; V113-F122 HydrophobicContact CG2-CE2 4.24Å |
| 114 | A | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 105 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | V99 L100 A101 V147 I150 | V99-A114 VanDerWaalsContact CA-O 3.29Å; V99-A114 WeakPolarHBondContact CA-O 3.47Å; L100-A114 PolarHBondContact N-O 2.99Å; A101-A114 HydrophobicContact CB-CB 3.9Å; A101-A114 PolarHBondContact O-N 3.09Å; A114-V147 HydrophobicContact CB-CB 3.77Å; A114-V147 HydrophobicContact CB-CG1 3.64Å; A114-I150 HydrophobicContact CB-CD1 3.71Å; A114-I150 HydrophobicContact CB-CG1 4.41Å |
| 115 | K | 93.7 | Very high | 92.9 | Very high | 55 Ų | 55 | 28.2 Ų | 28.2 | 24% | 0.239 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 102.3 | 175.4 | -175.8 | -171.6 | 173.8 | -177.8 | 0 | 109 | F95 K96 V113 N117 N118 M120 | F95-K115 VanDerWaalsContact O-CE 3.28Å; F95-K115 WeakPolarHBondContact O-CE 3.49Å; F95-K115 PolarHBondContact O-NZ 3.05Å; K96-K115 WeakPolarHBondContact O-CE 3.47Å; K96-K115 PolarHBondContact O-NZ 3.49Å; V113-K115 PolarHBondContact O-N 2.99Å; K115-N117 PolarHBondContact O-N 3.43Å; K115-N118 PolarHBondContact N-O 3.45Å; K115-N118 PolarHBondContact O-N 3.09Å; K115-N118 VanDerWaalsContact O-N 3.14Å; K115-M120 HydrophobicContact CB-SD 4.47Å; K115-M120 HydrophobicContact CD-SD 4.28Å |
| 116 | G | 90.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 19% | 0.186 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -120.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V98 N146 V147 | V98-G116 PolarHBondContact O-N 3.28Å; G116-N146 VanDerWaalsContact CA-OD1 3.26Å; G116-N146 WeakPolarHBondContact CA-OD1 3.43Å; G116-N146 WeakPolarHBondContact O-CA 3.21Å; G116-V147 PolarHBondContact O-N 3.43Å |
| 117 | N | 92.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 31.2 Ų | 31.2 | 34% | 0.342 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3.7 | 179.8 | 66.6 | -21.1 | 0 | 0 | 0 | 115 | K115 F143 D145 | K115-N117 PolarHBondContact O-N 3.43Å; N117-F143 HydrophobicContact CB-CB 4.38Å; N117-F143 PolarHBondContact ND2-O 3.05Å; N117-D145 WeakPolarHBondContact CA-O 3.31Å; N117-D145 VanDerWaalsContact CB-O 3.23Å; N117-D145 WeakPolarHBondContact CB-O 3.47Å |
| 118 | N | 93.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.3 | -177.5 | -58.2 | -42.7 | 0 | 0 | 0 | 111.1 | K115 V139 Y141 | K115-N118 PolarHBondContact N-O 3.45Å; K115-N118 PolarHBondContact O-N 3.09Å; K115-N118 VanDerWaalsContact O-N 3.14Å; N118-V139 HydrophobicContact CB-CG1 4.29Å; N118-Y141 WeakPolarHBondContact OD1-CD1 3.32Å |
| 119 | V | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.2 | 171.6 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | A112 F140 F143 V147 I150 F159 A161 | A112-V119 HydrophobicContact CB-CG1 4.38Å; V119-F140 HydrophobicContact CB-CB 4.35Å; V119-F140 PolarHBondContact N-O 3.02Å; V119-F140 PolarHBondContact O-N 3.29Å; V119-F143 HydrophobicContact CG2-CE2 4.42Å; V119-V147 HydrophobicContact CG2-CG1 4.11Å; V119-V147 HydrophobicContact CG2-CG2 4.11Å; V119-I150 HydrophobicContact CG1-CD1 4.01Å; V119-F159 HydrophobicContact CB-CE2 4.38Å; V119-F159 HydrophobicContact CG1-CE2 3.74Å; V119-F159 HydrophobicContact CG1-CZ 4.11Å; V119-A161 HydrophobicContact CG2-CB 4.11Å |
| 120 | M | 95.4 | Very high | 89.1 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 21% | 0.207 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.7 | 176.3 | -62.5 | -178.1 | 132.5 | 0 | 0 | 109.5 | A112 V113 K115 F122 L136 V139 | A112-M120 CarbonylContact C-O 3.56Å; A112-M120 WeakPolarHBondContact CA-O 3.43Å; V113-M120 PolarHBondContact N-O 3.32Å; V113-M120 PolarHBondContact O-N 2.96Å; K115-M120 HydrophobicContact CB-SD 4.47Å; K115-M120 HydrophobicContact CD-SD 4.28Å; M120-F122 HydrophobicContact CB-CD2 4.3Å; M120-F122 HydrophobicContact CB-CE2 3.55Å; M120-F122 HydrophobicContact CB-CZ 4.22Å; M120-F122 HydrophobicContact SD-CE2 4.4Å; M120-F122 HydrophobicContact SD-CZ 4.32Å; M120-L136 HydrophobicContact CB-CD1 4.1Å; M120-V139 HydrophobicContact CE-CG2 4.13Å; M120-V139 HydrophobicContact CG-CG1 4.19Å; M120-V139 HydrophobicContact CG-CG2 4.22Å |
| 121 | L | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.4 | 176.3 | -165 | 69.9 | 0 | 0 | 0 | 109.9 | F110 A112 Y137 R138 F140 W152 V173 | F110-L121 HydrophobicContact CB-CD1 3.95Å; F110-L121 HydrophobicContact CB-CD2 4.47Å; F110-L121 HydrophobicContact CB-CG 4.24Å; F110-L121 HydrophobicContact CD1-CD2 4.08Å; F110-L121 HydrophobicContact CD1-CG 4.21Å; F110-L121 HydrophobicContact CG-CD2 4.31Å; F110-L121 HydrophobicContact CG-CG 4.48Å; A112-L121 HydrophobicContact CB-CD1 3.85Å; L121-Y137 HydrophobicContact CD2-CD1 3.87Å; L121-Y137 HydrophobicContact CD2-CE1 4.41Å; L121-Y137 HydrophobicContact CG-CD1 4.5Å; L121-Y137 WeakPolarHBondContact O-CA 3.45Å; L121-Y137 WeakPolarHBondContact O-CB 3.46Å; L121-Y137 PolarHBondContact O-N 2.94Å; L121-R138 PolarHBondContact N-O 2.97Å; L121-R138 PolarHBondContact O-N 3.37Å; L121-F140 HydrophobicContact CB-CE2 4.12Å; L121-F140 HydrophobicContact CD2-CE2 4.3Å; L121-W152 HydrophobicContact CD1-CH2 3.46Å; L121-W152 VanDerWaalsContact CD1-CH2 3.46Å; L121-W152 HydrophobicContact CD1-CZ2 3.51Å; L121-W152 HydrophobicContact CD2-CH2 4.32Å; L121-V173 HydrophobicContact CD2-CB 4.42Å; L121-V173 HydrophobicContact CD2-CG1 3.73Å; L121-V173 HydrophobicContact CD2-CG2 4.17Å |
| 122 | F | 94.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 155 | 178 | -65.7 | -94.2 | 0 | 0 | 0 | 110.6 | F95 F110 L111 V113 M120 L134 E135 L136 | F95-F122 HydrophobicContact CD1-CE2 4.44Å; F95-F122 HydrophobicContact CD1-CZ 4.26Å; F95-F122 HydrophobicContact CE1-CD2 4.44Å; F95-F122 HydrophobicContact CE1-CE1 4.43Å; F95-F122 AromaticContact CE1-CE2 3.57Å; F95-F122 HydrophobicContact CE1-CE2 3.57Å; F95-F122 AromaticContact CE1-CZ 3.58Å; F95-F122 HydrophobicContact CE1-CZ 3.58Å; F95-F122 HydrophobicContact CZ-CE2 4.32Å; F110-F122 CarbonylContact C-O 3.59Å; F110-F122 WeakPolarHBondContact CA-O 3.12Å; L111-F122 HydrophobicContact CB-CB 4.36Å; L111-F122 PolarHBondContact N-O 2.98Å; L111-F122 PolarHBondContact O-N 3.39Å; V113-F122 HydrophobicContact CB-CE2 4.42Å; V113-F122 HydrophobicContact CG2-CD2 4.13Å; V113-F122 HydrophobicContact CG2-CE2 4.24Å; M120-F122 HydrophobicContact CB-CD2 4.3Å; M120-F122 HydrophobicContact CB-CE2 3.55Å; M120-F122 HydrophobicContact CB-CZ 4.22Å; M120-F122 HydrophobicContact SD-CE2 4.4Å; M120-F122 HydrophobicContact SD-CZ 4.32Å; F122-L134 HydrophobicContact CB-CD2 4.49Å; F122-L134 HydrophobicContact CD1-CB 3.86Å; F122-L134 HydrophobicContact CE1-CB 4.33Å; F122-E135 CarbonylContact C-O 3.51Å; F122-E135 VanDerWaalsContact CA-O 3.27Å; F122-E135 WeakPolarHBondContact CA-O 3.4Å; F122-L136 HydrophobicContact CD1-CB 4.06Å; F122-L136 HydrophobicContact CD1-CD1 4.18Å; F122-L136 HydrophobicContact CD2-CD1 4.41Å; F122-L136 HydrophobicContact CE1-CB 3.83Å; F122-L136 HydrophobicContact CE1-CD1 3.79Å; F122-L136 HydrophobicContact CE1-CG 4.42Å; F122-L136 HydrophobicContact CE2-CD1 4.03Å; F122-L136 HydrophobicContact CG-CD1 4.46Å; F122-L136 HydrophobicContact CZ-CD1 3.69Å |
| 123 | F | 92.8 | Very high | 87 | Confident | 74 Ų | 74 | 57.2 Ų | 57.2 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 145.2 | 159.6 | -69.1 | -67.2 | 0 | 0 | 0 | 109.8 | F110 E135 Y137 | F110-F123 HydrophobicContact CD1-CD1 4.04Å; F110-F123 HydrophobicContact CD1-CE1 4.37Å; F110-F123 AromaticContact CE1-CD1 3.66Å; F110-F123 HydrophobicContact CE1-CD1 3.66Å; F110-F123 AromaticContact CE1-CE1 3.55Å; F110-F123 HydrophobicContact CE1-CE1 3.55Å; F110-F123 HydrophobicContact CZ-CD1 4.49Å; F110-F123 HydrophobicContact CZ-CE1 4.17Å; F123-E135 HydrophobicContact CD2-CB 4.08Å; F123-E135 HydrophobicContact CD2-CG 4.04Å; F123-E135 PolarHBondContact N-O 2.87Å; F123-Y137 AromaticContact CE1-CD2 3.85Å; F123-Y137 HydrophobicContact CE1-CD2 3.85Å; F123-Y137 HydrophobicContact CE1-CE2 4.36Å; F123-Y137 AromaticContact CE2-CD2 3.74Å; F123-Y137 HydrophobicContact CE2-CD2 3.74Å; F123-Y137 HydrophobicContact CE2-CG 4.42Å; F123-Y137 AromaticContact CZ-CD2 3.28Å; F123-Y137 HydrophobicContact CZ-CD2 3.28Å; F123-Y137 AromaticContact CZ-CE2 3.9Å; F123-Y137 HydrophobicContact CZ-CE2 3.9Å; F123-Y137 HydrophobicContact CZ-CG 4.18Å |
| 124 | S | 88.5 | Confident | 86.6 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 140.9 | 175.8 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | G108 K109 S126 | G108-S124 WeakPolarHBondContact O-CB 2.94Å; G108-S124 PolarHBondContact O-OG 3.22Å; K109-S124 WeakPolarHBondContact CA-OG 3.23Å; K109-S124 PolarHBondContact O-N 3.38Å; K109-S124 PolarHBondContact O-OG 2.87Å; S124-S126 PolarHBondContact O-N 2.84Å |
| 125 | P | 83.7 | Confident | 86.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 136 | -177.2 | 25.3 | -33.5 | 0 | 0 | 0 | 110.9 | L69 L81 H133 L134 | L69-P125 HydrophobicContact CD1-CB 4.23Å; L69-P125 HydrophobicContact CD1-CG 3.69Å; L69-P125 HydrophobicContact CD2-CG 3.59Å; L69-P125 HydrophobicContact CG-CG 4.31Å; L81-P125 HydrophobicContact CD1-CB 4.07Å; L81-P125 HydrophobicContact CD1-CG 4.34Å; L81-P125 HydrophobicContact CD2-CG 4.49Å; P125-H133 WeakPolarHBondContact CA-O 3.46Å; P125-H133 HydrophobicContact CB-CB 4.41Å; P125-H133 WeakPolarHBondContact CB-O 3.35Å; P125-L134 HydrophobicContact CB-CD2 4.49Å; P125-L134 HydrophobicContact CG-CD2 4.43Å |
| 126 | S | 78.2 | Confident | 86.3 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 150.9 | 173.2 | 88.2 | 0 | 0 | 0 | 0 | 110.7 | S124 N128 Q130 | S124-S126 PolarHBondContact O-N 2.84Å; S126-N128 PolarHBondContact O-N 3.05Å; S126-N128 PolarHBondContact OG-N 3.25Å; S126-N128 PolarHBondContact OG-O 2.98Å; S126-Q130 PolarHBondContact OG-NE2 3.23Å |
| 127 | P | 71.4 | Confident | 86.5 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 59% | 0.591 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -66.6 | -19.7 | 176.3 | 28.2 | -34.6 | 0 | 0 | 0 | 112.7 | I67 | I67-P127 HydrophobicContact CG2-CB 4.46Š|
| 128 | N | 76.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -80.5 | 144.2 | 178.5 | -68.1 | -20.1 | 0 | 0 | 0 | 110.8 | S126 Q130 H133 | S126-N128 PolarHBondContact O-N 3.05Å; S126-N128 PolarHBondContact OG-N 3.25Å; S126-N128 PolarHBondContact OG-O 2.98Å; N128-Q130 PolarHBondContact O-N 2.99Å; N128-H133 PolarHBondContact O-CE1 3.49Å |
| 129 | R | 71.5 | Confident | 86.5 | Confident | 218 Ų | 218 | 67.6 Ų | 67.6 | 82% | 0.823 | 32% | 0.322 | S | S | * | . | trans | -65.7 | 120.8 | 176.7 | -157.8 | 175 | -174.7 | -177.5 | 1.4 | 110 | ||||
| 130 | Q | 80 | Confident | 86.4 | Confident | 102 Ų | 102 | 68 Ų | 68 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | trans | -125.1 | 157.1 | 176.3 | -68 | -176.6 | -8.8 | 0 | 0 | 108.5 | S126 N128 H133 | S126-Q130 PolarHBondContact OG-NE2 3.23Å; N128-Q130 PolarHBondContact O-N 2.99Å; Q130-H133 PolarHBondContact N-CE1 3.43Å; Q130-H133 PolarHBondContact N-NE2 2.93Å; Q130-H133 PolarHBondContact O-CD2 3.26Å; Q130-H133 PolarHBondContact O-NE2 3.11Å | ||
| 131 | F | 79 | Confident | 86.2 | Confident | 221 Ų | 221 | 73.2 Ų | 73.2 | 97% | 0.969 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -66.8 | -42.5 | 177.2 | -178.4 | -98.3 | 0 | 0 | 0 | 111.5 | ||
| 132 | N | 81.2 | Confident | 85.7 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | trans | -113.4 | 109.9 | 171.2 | -174.8 | 23.7 | 0 | 0 | 0 | 109.5 | L134 | N132-L134 PolarHBondContact ND2-O 3.25Å; N132-L134 PolarHBondContact OD1-N 3.25Å; N132-L134 PolarHBondContact OD1-O 2.9Å | ||
| 133 | H | 82.7 | Confident | 85.6 | Confident | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | trans | -85.4 | -21.3 | -178.1 | -80.2 | -83.6 | 0 | 0 | 0 | 114 | L81 S91 P125 N128 Q130 | L81-H133 HydrophobicContact CD1-CB 3.54Å; S91-H133 PolarHBondContact OG-CD2 2.95Å; P125-H133 WeakPolarHBondContact CA-O 3.46Å; P125-H133 HydrophobicContact CB-CB 4.41Å; P125-H133 WeakPolarHBondContact CB-O 3.35Å; N128-H133 PolarHBondContact O-CE1 3.49Å; Q130-H133 PolarHBondContact N-CE1 3.43Å; Q130-H133 PolarHBondContact N-NE2 2.93Å; Q130-H133 PolarHBondContact O-CD2 3.26Å; Q130-H133 PolarHBondContact O-NE2 3.11Å | ||
| 134 | L | 87.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | trans | -115.8 | 99.9 | 179.6 | -69.1 | 176.5 | 0 | 0 | 0 | 109.4 | L81 Y93 F95 L111 F122 P125 N132 | L81-L134 HydrophobicContact CD1-CD2 4.49Å; L81-L134 HydrophobicContact CD1-CG 4.18Å; L81-L134 HydrophobicContact CD2-CD1 4.47Å; Y93-L134 HydrophobicContact CD1-CD1 4.07Å; Y93-L134 HydrophobicContact CD2-CB 4.15Å; Y93-L134 HydrophobicContact CD2-CD1 4.35Å; Y93-L134 HydrophobicContact CE2-CB 4.29Å; Y93-L134 HydrophobicContact CG-CB 4.45Å; Y93-L134 HydrophobicContact CG-CD1 3.84Å; F95-L134 HydrophobicContact CZ-CD1 4.17Å; L111-L134 HydrophobicContact CD2-CD2 4.05Å; F122-L134 HydrophobicContact CB-CD2 4.49Å; F122-L134 HydrophobicContact CD1-CB 3.86Å; F122-L134 HydrophobicContact CE1-CB 4.33Å; P125-L134 HydrophobicContact CB-CD2 4.49Å; P125-L134 HydrophobicContact CG-CD2 4.43Å; N132-L134 PolarHBondContact ND2-O 3.25Å; N132-L134 PolarHBondContact OD1-N 3.25Å; N132-L134 PolarHBondContact OD1-O 2.9Å | ||
| 135 | E | 90.1 | Very high | 85.7 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | trans | -88 | 122.7 | 172.8 | -174.3 | 177.5 | 179.1 | 0 | 0 | 109.8 | F122 F123 Y137 | F122-E135 CarbonylContact C-O 3.51Å; F122-E135 VanDerWaalsContact CA-O 3.27Å; F122-E135 WeakPolarHBondContact CA-O 3.4Å; F123-E135 HydrophobicContact CD2-CB 4.08Å; F123-E135 HydrophobicContact CD2-CG 4.04Å; F123-E135 PolarHBondContact N-O 2.87Å; E135-Y137 PolarHBondContact O-N 3.39Å | ||
| 136 | L | 92.8 | Very high | 86.2 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 41% | 0.408 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121.8 | 179 | -179.4 | 72 | 0 | 0 | 0 | 109.6 | M120 F122 V139 | M120-L136 HydrophobicContact CB-CD1 4.1Å; F122-L136 HydrophobicContact CD1-CB 4.06Å; F122-L136 HydrophobicContact CD1-CD1 4.18Å; F122-L136 HydrophobicContact CD2-CD1 4.41Å; F122-L136 HydrophobicContact CE1-CB 3.83Å; F122-L136 HydrophobicContact CE1-CD1 3.79Å; F122-L136 HydrophobicContact CE1-CG 4.42Å; F122-L136 HydrophobicContact CE2-CD1 4.03Å; F122-L136 HydrophobicContact CG-CD1 4.46Å; F122-L136 HydrophobicContact CZ-CD1 3.69Å; L136-V139 HydrophobicContact CD1-CG2 4.06Å; L136-V139 HydrophobicContact CD2-CG2 3.86Å; L136-V139 HydrophobicContact CG-CG2 4.41Å |
| 137 | Y | 93.2 | Very high | 87 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -52.3 | 173.9 | 177.9 | -104.6 | 0 | 0 | 0 | 111.5 | F110 L121 F123 E135 V173 | F110-Y137 HydrophobicContact CE1-CD1 4.16Å; F110-Y137 HydrophobicContact CE1-CD2 4.22Å; F110-Y137 HydrophobicContact CE1-CE1 4.42Å; F110-Y137 HydrophobicContact CE1-CE2 4.47Å; F110-Y137 HydrophobicContact CE1-CG 4.01Å; L121-Y137 HydrophobicContact CD2-CD1 3.87Å; L121-Y137 HydrophobicContact CD2-CE1 4.41Å; L121-Y137 HydrophobicContact CG-CD1 4.5Å; L121-Y137 WeakPolarHBondContact O-CA 3.45Å; L121-Y137 WeakPolarHBondContact O-CB 3.46Å; L121-Y137 PolarHBondContact O-N 2.94Å; F123-Y137 AromaticContact CE1-CD2 3.85Å; F123-Y137 HydrophobicContact CE1-CD2 3.85Å; F123-Y137 HydrophobicContact CE1-CE2 4.36Å; F123-Y137 AromaticContact CE2-CD2 3.74Å; F123-Y137 HydrophobicContact CE2-CD2 3.74Å; F123-Y137 HydrophobicContact CE2-CG 4.42Å; F123-Y137 AromaticContact CZ-CD2 3.28Å; F123-Y137 HydrophobicContact CZ-CD2 3.28Å; F123-Y137 AromaticContact CZ-CE2 3.9Å; F123-Y137 HydrophobicContact CZ-CE2 3.9Å; F123-Y137 HydrophobicContact CZ-CG 4.18Å; E135-Y137 PolarHBondContact O-N 3.39Å; Y137-V173 HydrophobicContact CE1-CG1 4.02Å |
| 138 | R | 93.5 | Very high | 88 | Confident | 81 Ų | 81 | 77.7 Ų | 77.7 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 152.1 | -175.4 | -165.1 | 170.9 | -168.1 | 166.9 | 15 | 112.7 | L121 F140 | L121-R138 PolarHBondContact N-O 2.97Å; L121-R138 PolarHBondContact O-N 3.37Å; R138-F140 HydrophobicContact CB-CE2 4.25Å; R138-F140 HydrophobicContact CG-CE2 4.27Å; R138-F140 HydrophobicContact CG-CZ 4.28Å |
| 139 | V | 94 | Very high | 88.9 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.5 | 168.5 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | N118 M120 L136 Y141 | N118-V139 HydrophobicContact CB-CG1 4.29Å; M120-V139 HydrophobicContact CE-CG2 4.13Å; M120-V139 HydrophobicContact CG-CG1 4.19Å; M120-V139 HydrophobicContact CG-CG2 4.22Å; L136-V139 HydrophobicContact CD1-CG2 4.06Å; L136-V139 HydrophobicContact CD2-CG2 3.86Å; L136-V139 HydrophobicContact CG-CG2 4.41Å; V139-Y141 HydrophobicContact CB-CE2 3.85Å; V139-Y141 HydrophobicContact CG1-CD2 4.27Å; V139-Y141 HydrophobicContact CG1-CE1 4.04Å; V139-Y141 HydrophobicContact CG1-CE2 3.64Å |
| 140 | F | 93.2 | Very high | 90 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.9 | 175.8 | -63.4 | -87.1 | 0 | 0 | 0 | 109.8 | V119 L121 R138 F159 F171 S172 | V119-F140 HydrophobicContact CB-CB 4.35Å; V119-F140 PolarHBondContact N-O 3.02Å; V119-F140 PolarHBondContact O-N 3.29Å; L121-F140 HydrophobicContact CB-CE2 4.12Å; L121-F140 HydrophobicContact CD2-CE2 4.3Å; R138-F140 HydrophobicContact CB-CE2 4.25Å; R138-F140 HydrophobicContact CG-CE2 4.27Å; R138-F140 HydrophobicContact CG-CZ 4.28Å; F140-F159 HydrophobicContact CD2-CE1 4.16Å; F140-F159 AromaticContact CD2-CZ 3.57Å; F140-F159 HydrophobicContact CD2-CZ 3.57Å; F140-F159 AromaticContact CE2-CE1 3.66Å; F140-F159 HydrophobicContact CE2-CE1 3.66Å; F140-F159 AromaticContact CE2-CZ 3.58Å; F140-F159 HydrophobicContact CE2-CZ 3.58Å; F140-F159 HydrophobicContact CG-CZ 4.11Å; F140-F159 AromaticContact CZ-CE1 3.96Å; F140-F159 HydrophobicContact CZ-CE1 3.96Å; F140-F159 HydrophobicContact CZ-CZ 4.12Å; F140-F171 HydrophobicContact CB-CD1 3.84Å; F140-F171 HydrophobicContact CB-CE1 3.73Å; F140-F171 HydrophobicContact CB-CG 4.46Å; F140-F171 HydrophobicContact CB-CZ 4.25Å; F140-F171 HydrophobicContact CD1-CB 4.21Å; F140-F171 AromaticContact CD1-CD1 3.39Å; F140-F171 HydrophobicContact CD1-CD1 3.39Å; F140-F171 HydrophobicContact CD1-CE1 4.04Å; F140-F171 HydrophobicContact CD1-CG 4.05Å; F140-F171 HydrophobicContact CE1-CB 4.17Å; F140-F171 HydrophobicContact CE1-CD1 4.1Å; F140-F171 AromaticContact CG-CD1 3.8Å; F140-F171 HydrophobicContact CG-CD1 3.8Å; F140-F171 HydrophobicContact CG-CE1 4.22Å; F140-F171 HydrophobicContact CG-CG 4.26Å; F140-S172 WeakPolarHBondContact CE1-O 2.93Å; F140-S172 WeakPolarHBondContact CZ-O 3.41Å |
| 141 | Y | 91.1 | Very high | 90.7 | Very high | 152 Ų | 152 | 59.9 Ų | 59.9 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | trans | -108.4 | 157.8 | 179 | -62.3 | -86 | 0 | 0 | 0 | 110.1 | N118 V139 | N118-Y141 WeakPolarHBondContact OD1-CD1 3.32Å; V139-Y141 HydrophobicContact CB-CE2 3.85Å; V139-Y141 HydrophobicContact CG1-CD2 4.27Å; V139-Y141 HydrophobicContact CG1-CE1 4.04Å; V139-Y141 HydrophobicContact CG1-CE2 3.64Å | ||
| 142 | G | 84.8 | Confident | 91.4 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | trans | 147.4 | -20.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R169 | G142-R169 VanDerWaalsContact CA-NH1 3.29Å; G142-R169 PolarHBondContact O-NH1 3.11Å; G142-R169 PolarHBondContact O-NH2 3.29Å | ||
| 143 | F | 92.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -69.3 | 145.6 | 176.3 | -64.8 | -78.6 | 0 | 0 | 0 | 111.1 | N117 V119 D145 V147 A161 R169 F171 | N117-F143 HydrophobicContact CB-CB 4.38Å; N117-F143 PolarHBondContact ND2-O 3.05Å; V119-F143 HydrophobicContact CG2-CE2 4.42Å; F143-D145 WeakPolarHBondContact CB-O 3.46Å; F143-V147 HydrophobicContact CB-CG2 4.27Å; F143-V147 HydrophobicContact CD2-CG2 3.35Å; F143-V147 HydrophobicContact CE2-CG2 3.69Å; F143-V147 HydrophobicContact CG-CG2 3.85Å; F143-V147 HydrophobicContact CZ-CG2 4.44Å; F143-A161 HydrophobicContact CE2-CB 3.85Å; F143-A161 HydrophobicContact CZ-CB 3.73Å; F143-A161 WeakPolarHBondContact CZ-O 3.49Å; F143-R169 HydrophobicContact CD1-CG 4.28Å; F143-R169 HydrophobicContact CE1-CB 3.98Å; F143-R169 HydrophobicContact CE1-CG 3.49Å; F143-R169 VanDerWaalsContact CE1-CG 3.49Å; F143-R169 HydrophobicContact CE2-CB 4.33Å; F143-R169 HydrophobicContact CE2-CG 4.48Å; F143-R169 HydrophobicContact CZ-CB 3.56Å; F143-R169 HydrophobicContact CZ-CG 3.62Å; F143-F171 AromaticContact CE2-CE2 3.66Å; F143-F171 HydrophobicContact CE2-CE2 3.66Å; F143-F171 AromaticContact CE2-CZ 3.75Å; F143-F171 HydrophobicContact CE2-CZ 3.75Å; F143-F171 HydrophobicContact CZ-CE2 4.01Å; F143-F171 HydrophobicContact CZ-CZ 4.3Å | ||
| 144 | T | 91.9 | Very high | 92.1 | Very high | 113 Ų | 113 | 47.8 Ų | 47.8 | 69% | 0.693 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -86.6 | -25 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 112 | D165 | T144-D165 PolarHBondContact N-OD2 3.48Å; T144-D165 WeakPolarHBondContact OG1-CB 3.47Å; T144-D165 PolarHBondContact OG1-OD2 3.36Å |
| 145 | D | 92.6 | Very high | 92 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -130.6 | -177.5 | -179.7 | -152.2 | -21.1 | 0 | 0 | 0 | 110 | N117 F143 V164 D165 | N117-D145 WeakPolarHBondContact CA-O 3.31Å; N117-D145 VanDerWaalsContact CB-O 3.23Å; N117-D145 WeakPolarHBondContact CB-O 3.47Å; F143-D145 WeakPolarHBondContact CB-O 3.46Å; D145-V164 HydrophobicContact CB-CB 4.1Å; D145-V164 WeakPolarHBondContact OD2-CG1 3.42Å; D145-D165 HydrophobicContact CB-CB 3.88Å |
| 146 | N | 93.7 | Very high | 92 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | trans | -62.2 | 137.3 | -175.9 | -75.7 | -24.9 | 0 | 0 | 0 | 113.3 | L100 G116 S163 V164 | L100-N146 HydrophobicContact CD1-CB 3.49Å; L100-N146 VanDerWaalsContact CD1-CB 3.49Å; G116-N146 VanDerWaalsContact CA-OD1 3.26Å; G116-N146 WeakPolarHBondContact CA-OD1 3.43Å; G116-N146 WeakPolarHBondContact O-CA 3.21Å; N146-S163 WeakPolarHBondContact O-CA 3.47Å; N146-S163 PolarHBondContact O-OG 3.39Å; N146-V164 HydrophobicContact CB-CG2 4.16Å; N146-V164 PolarHBondContact O-N 3.39Å | ||
| 147 | V | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.8 | 175 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | L100 A114 G116 V119 F143 I150 A161 G162 | L100-V147 VanDerWaalsContact CB-O 3.22Å; L100-V147 WeakPolarHBondContact CB-O 3.32Å; A114-V147 HydrophobicContact CB-CB 3.77Å; A114-V147 HydrophobicContact CB-CG1 3.64Å; G116-V147 PolarHBondContact O-N 3.43Å; V119-V147 HydrophobicContact CG2-CG1 4.11Å; V119-V147 HydrophobicContact CG2-CG2 4.11Å; F143-V147 HydrophobicContact CB-CG2 4.27Å; F143-V147 HydrophobicContact CD2-CG2 3.35Å; F143-V147 HydrophobicContact CE2-CG2 3.69Å; F143-V147 HydrophobicContact CG-CG2 3.85Å; F143-V147 HydrophobicContact CZ-CG2 4.44Å; V147-I150 HydrophobicContact CG1-CG1 4.3Å; V147-A161 HydrophobicContact CG1-CB 3.86Å; V147-G162 CarbonylContact C-O 3.53Å; V147-G162 WeakPolarHBondContact CA-O 2.97Å; V147-G162 WeakPolarHBondContact CG1-O 3.49Å |
| 148 | T | 93 | Very high | 91.5 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -30.3 | -171.9 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | G162 V164 I191 | T148-G162 PolarHBondContact N-O 2.85Å; T148-G162 PolarHBondContact OG1-O 2.91Å; T148-V164 HydrophobicContact CG2-CG2 3.48Å; T148-V164 VanDerWaalsContact CG2-CG2 3.48Å; T148-I191 PolarHBondContact OG1-O 3.43Å |
| 149 | C | 94.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 36.7 Ų | 36.7 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.8 | -177.3 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | A161 G162 G193 | C149-A161 VanDerWaalsContact O-CA 3.28Å; C149-A161 WeakPolarHBondContact O-CA 3.3Å; C149-G162 PolarHBondContact O-N 2.88Å; C149-G193 VanDerWaalsContact SG-CA 3.6Å |
| 150 | I | 95.5 | Very high | 91.5 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.5 | 175.7 | -62.9 | 166.4 | 0 | 0 | 0 | 108.6 | A101 A112 A114 V119 V147 F159 I160 A161 | A101-I150 HydrophobicContact CB-CD1 4.16Å; A101-I150 HydrophobicContact CB-CG1 4.16Å; A112-I150 HydrophobicContact CB-CD1 4.19Å; A112-I150 HydrophobicContact CB-CG2 4.05Å; A114-I150 HydrophobicContact CB-CD1 3.71Å; A114-I150 HydrophobicContact CB-CG1 4.41Å; V119-I150 HydrophobicContact CG1-CD1 4.01Å; V147-I150 HydrophobicContact CG1-CG1 4.3Å; I150-F159 HydrophobicContact CG2-CD2 4.24Å; I150-I160 WeakPolarHBondContact CA-O 3.48Å; I150-A161 HydrophobicContact CG1-CB 4.34Å |
| 151 | D | 94.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.6 | 171.4 | -174.2 | 39.4 | 0 | 0 | 0 | 111.8 | F159 I160 A194 F195 I196 K263 | D151-F159 CarbonylContact O-C 3.53Å; D151-F159 WeakPolarHBondContact O-CA 3.27Å; D151-F159 VanDerWaalsContact O-CB 3.32Å; D151-F159 WeakPolarHBondContact O-CB 3.15Å; D151-I160 HydrophobicContact CB-CG2 3.93Å; D151-I160 PolarHBondContact N-O 3.4Å; D151-I160 PolarHBondContact O-N 3.39Å; D151-A194 WeakPolarHBondContact CB-O 3.45Å; D151-F195 HydrophobicContact CB-CD1 4.32Å; D151-F195 VanDerWaalsContact OD2-CA 3.28Å; D151-F195 WeakPolarHBondContact OD2-CA 3.46Å; D151-I196 PolarHBondContact OD2-N 3.03Å; D151-K263 WeakPolarHBondContact OD1-CE 3.26Å; D151-K263 IonicContact OD1-NZ 3.34Å; D151-K263 PolarHBondContact OD1-NZ 3.11Å; D151-K263 WeakPolarHBondContact OD2-CE 3.25Å; D151-K263 IonicContact OD2-NZ 2.7Å; D151-K263 PolarHBondContact OD2-NZ 2.94Å |
| 152 | W | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 149.5 | -173.1 | -76.3 | 96.3 | 0 | 0 | 0 | 112.9 | S103 F104 P106 F110 A112 L121 F159 V173 K263 | S103-W152 PolarHBondContact O-NE1 3.47Å; S103-W152 VanDerWaalsContact O-NE1 3.13Å; F104-W152 PolarHBondContact O-NE1 2.93Å; P106-W152 VanDerWaalsContact CD-CB 3.46Å; P106-W152 HydrophobicContact CG-CB 3.99Å; F110-W152 HydrophobicContact CB-CH2 4.06Å; F110-W152 HydrophobicContact CB-CZ2 4.35Å; A112-W152 HydrophobicContact CB-CZ2 3.66Å; L121-W152 HydrophobicContact CD1-CH2 3.46Å; L121-W152 VanDerWaalsContact CD1-CH2 3.46Å; L121-W152 HydrophobicContact CD1-CZ2 3.51Å; L121-W152 HydrophobicContact CD2-CH2 4.32Å; W152-F159 HydrophobicContact CD2-CB 3.82Å; W152-F159 HydrophobicContact CE3-CB 3.78Å; W152-F159 HydrophobicContact CE3-CD1 4.41Å; W152-F159 HydrophobicContact CG-CB 4.28Å; W152-F159 HydrophobicContact CH2-CD1 4.02Å; W152-F159 HydrophobicContact CZ3-CB 4.2Å; W152-F159 AromaticContact CZ3-CD1 3.97Å; W152-F159 HydrophobicContact CZ3-CD1 3.97Å; W152-F159 HydrophobicContact CZ3-CG 4.48Å; W152-V173 HydrophobicContact CH2-CG2 3.88Å; W152-V173 HydrophobicContact CZ3-CG2 3.47Å; W152-V173 VanDerWaalsContact CZ3-CG2 3.47Å; W152-K263 PolarHBondContact O-NZ 3.21Å |
| 153 | S | 90.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | trans | -69.6 | 149.3 | 165 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | P106 D155 S156 R157 F158 | P106-S153 WeakPolarHBondContact CG-O 3.38Å; S153-D155 VanDerWaalsContact CB-OD1 3.26Å; S153-D155 WeakPolarHBondContact CB-OD1 3.33Å; S153-D155 PolarHBondContact O-N 3.37Å; S153-D155 VanDerWaalsContact O-N 3.09Å; S153-D155 PolarHBondContact OG-OD1 3.08Å; S153-S156 PolarHBondContact O-N 3.4Å; S153-R157 PolarHBondContact OG-N 3.39Å; S153-F158 WeakPolarHBondContact CB-O 3.31Å; S153-F158 PolarHBondContact N-O 2.96Å; S153-F158 PolarHBondContact OG-N 3.32Å; S153-F158 PolarHBondContact OG-O 2.76Å | ||
| 154 | C | 86.7 | Confident | 92.4 | Very high | 52 Ų | 52 | 28.2 Ų | 28.2 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.2 | -178.3 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | H198 | C154-H198 VanDerWaalsContact SG-CD2 3.53Š|
| 155 | D | 85.5 | Confident | 92.4 | Very high | 63 Ų | 63 | 24.1 Ų | 24.1 | 34% | 0.337 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 6.5 | 177.6 | 64.9 | -1.3 | 0 | 0 | 0 | 114 | S153 R157 | S153-D155 VanDerWaalsContact CB-OD1 3.26Å; S153-D155 WeakPolarHBondContact CB-OD1 3.33Å; S153-D155 PolarHBondContact O-N 3.37Å; S153-D155 VanDerWaalsContact O-N 3.09Å; S153-D155 PolarHBondContact OG-OD1 3.08Å; D155-R157 PolarHBondContact O-N 3Å; D155-R157 PolarHBondContact OD1-N 3.26Å; D155-R157 IonicContact OD2-CZ 3.5Å; D155-R157 IonicContact OD2-NE 3.25Å; D155-R157 PolarHBondContact OD2-NE 3.3Å; D155-R157 IonicContact OD2-NH2 3.98Å; D155-R157 PolarHBondContact OD2-NH2 3.25Å |
| 156 | S | 89.5 | Confident | 92.5 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 58.5 | 16.4 | 178.7 | -51.9 | 0 | 0 | 0 | 0 | 115.3 | P106 D107 S153 V173 | P106-S156 VanDerWaalsContact CD-OG 3.31Å; P106-S156 WeakPolarHBondContact CD-OG 3.41Å; D107-S156 PolarHBondContact N-OG 2.87Å; D107-S156 VanDerWaalsContact N-OG 3.08Å; D107-S156 PolarHBondContact OD1-OG 3.47Å; S153-S156 PolarHBondContact O-N 3.4Å; S156-V173 WeakPolarHBondContact O-CG2 3.38Å |
| 157 | R | 87.6 | Confident | 92.6 | Very high | 60 Ų | 60 | 20.2 Ų | 20.2 | 23% | 0.226 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -87.5 | -30.3 | -179 | -71 | -167.1 | -67.7 | 161.8 | -5.1 | 113.9 | S153 D155 V173 I176 L221 | S153-R157 PolarHBondContact OG-N 3.39Å; D155-R157 PolarHBondContact O-N 3Å; D155-R157 PolarHBondContact OD1-N 3.26Å; D155-R157 IonicContact OD2-CZ 3.5Å; D155-R157 IonicContact OD2-NE 3.25Å; D155-R157 PolarHBondContact OD2-NE 3.3Å; D155-R157 IonicContact OD2-NH2 3.98Å; D155-R157 PolarHBondContact OD2-NH2 3.25Å; R157-V173 PolarHBondContact O-N 2.81Å; R157-I176 HydrophobicContact CB-CD1 4.37Å; R157-L221 VanDerWaalsContact NH2-CD1 3.35Å |
| 158 | F | 88.1 | Confident | 92.5 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155.8 | 179.7 | -46.7 | -86.5 | 0 | 0 | 0 | 110 | S153 L170 F171 I176 I179 L221 L224 | S153-F158 WeakPolarHBondContact CB-O 3.31Å; S153-F158 PolarHBondContact N-O 2.96Å; S153-F158 PolarHBondContact OG-N 3.32Å; S153-F158 PolarHBondContact OG-O 2.76Å; F158-L170 HydrophobicContact CB-CD1 4.06Å; F158-F171 CarbonylContact C-O 3.57Å; F158-F171 WeakPolarHBondContact CA-O 3.42Å; F158-F171 WeakPolarHBondContact CB-O 3.49Å; F158-I176 HydrophobicContact CD1-CD1 4.24Å; F158-I176 HydrophobicContact CE1-CB 4.17Å; F158-I176 HydrophobicContact CE1-CD1 3.34Å; F158-I176 HydrophobicContact CE1-CG1 4.32Å; F158-I176 HydrophobicContact CE1-CG2 4.22Å; F158-I176 HydrophobicContact CE2-CD1 4.13Å; F158-I176 HydrophobicContact CZ-CB 4.49Å; F158-I176 HydrophobicContact CZ-CD1 3.28Å; F158-I176 HydrophobicContact CZ-CG1 4.43Å; F158-I176 HydrophobicContact CZ-CG2 4.18Å; F158-I179 HydrophobicContact CD1-CG2 3.84Å; F158-I179 HydrophobicContact CE1-CB 4Å; F158-I179 HydrophobicContact CE1-CD1 4.13Å; F158-I179 HydrophobicContact CE1-CG2 3.84Å; F158-I179 HydrophobicContact CZ-CD1 4.39Å; F158-L221 HydrophobicContact CE2-CD1 4.32Å; F158-L224 HydrophobicContact CZ-CD1 4.29Å |
| 159 | F | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.8 | 169.1 | 65.1 | -89.6 | 0 | 0 | 0 | 109.4 | V119 F140 I150 D151 W152 F171 V173 | V119-F159 HydrophobicContact CB-CE2 4.38Å; V119-F159 HydrophobicContact CG1-CE2 3.74Å; V119-F159 HydrophobicContact CG1-CZ 4.11Å; F140-F159 HydrophobicContact CD2-CE1 4.16Å; F140-F159 AromaticContact CD2-CZ 3.57Å; F140-F159 HydrophobicContact CD2-CZ 3.57Å; F140-F159 AromaticContact CE2-CE1 3.66Å; F140-F159 HydrophobicContact CE2-CE1 3.66Å; F140-F159 AromaticContact CE2-CZ 3.58Å; F140-F159 HydrophobicContact CE2-CZ 3.58Å; F140-F159 HydrophobicContact CG-CZ 4.11Å; F140-F159 AromaticContact CZ-CE1 3.96Å; F140-F159 HydrophobicContact CZ-CE1 3.96Å; F140-F159 HydrophobicContact CZ-CZ 4.12Å; I150-F159 HydrophobicContact CG2-CD2 4.24Å; D151-F159 CarbonylContact O-C 3.53Å; D151-F159 WeakPolarHBondContact O-CA 3.27Å; D151-F159 VanDerWaalsContact O-CB 3.32Å; D151-F159 WeakPolarHBondContact O-CB 3.15Å; W152-F159 HydrophobicContact CD2-CB 3.82Å; W152-F159 HydrophobicContact CE3-CB 3.78Å; W152-F159 HydrophobicContact CE3-CD1 4.41Å; W152-F159 HydrophobicContact CG-CB 4.28Å; W152-F159 HydrophobicContact CH2-CD1 4.02Å; W152-F159 HydrophobicContact CZ3-CB 4.2Å; W152-F159 AromaticContact CZ3-CD1 3.97Å; W152-F159 HydrophobicContact CZ3-CD1 3.97Å; W152-F159 HydrophobicContact CZ3-CG 4.48Å; F159-F171 HydrophobicContact CD1-CB 4.12Å; F159-F171 HydrophobicContact CD2-CB 4.18Å; F159-F171 HydrophobicContact CD2-CD2 4.04Å; F159-F171 HydrophobicContact CE1-CB 3.58Å; F159-F171 HydrophobicContact CE1-CG 4.45Å; F159-F171 HydrophobicContact CE2-CB 3.64Å; F159-F171 AromaticContact CE2-CD2 3.38Å; F159-F171 HydrophobicContact CE2-CD2 3.38Å; F159-F171 HydrophobicContact CE2-CE2 4.28Å; F159-F171 AromaticContact CE2-CG 3.75Å; F159-F171 HydrophobicContact CE2-CG 3.75Å; F159-F171 HydrophobicContact CG-CB 4.39Å; F159-F171 HydrophobicContact CZ-CB 3.32Å; F159-F171 AromaticContact CZ-CD2 3.85Å; F159-F171 HydrophobicContact CZ-CD2 3.85Å; F159-F171 AromaticContact CZ-CG 3.7Å; F159-F171 HydrophobicContact CZ-CG 3.7Å; F159-F171 PolarHBondContact N-O 2.84Å; F159-F171 PolarHBondContact O-N 2.96Å; F159-V173 HydrophobicContact CD1-CG2 4.23Å |
| 160 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.4 | 175 | -170.6 | 164.9 | 0 | 0 | 0 | 109.3 | I150 D151 R169 L170 L184 A194 I196 I203 | I150-I160 WeakPolarHBondContact CA-O 3.48Å; D151-I160 HydrophobicContact CB-CG2 3.93Å; D151-I160 PolarHBondContact N-O 3.4Å; D151-I160 PolarHBondContact O-N 3.39Å; I160-R169 WeakPolarHBondContact CA-O 3.43Å; I160-L170 HydrophobicContact CB-CD1 4.28Å; I160-L184 HydrophobicContact CD1-CD1 3.89Å; I160-A194 HydrophobicContact CD1-CB 3.9Å; I160-A194 HydrophobicContact CG1-CB 3.94Å; I160-A194 HydrophobicContact CG2-CB 4.03Å; I160-A194 WeakPolarHBondContact CG2-O 3.34Å; I160-I196 HydrophobicContact CB-CD1 4.11Å; I160-I196 HydrophobicContact CB-CG1 4.17Å; I160-I196 HydrophobicContact CG2-CD1 3.98Å; I160-I196 HydrophobicContact CG2-CG1 3.77Å; I160-I203 HydrophobicContact CD1-CB 4.4Å; I160-I203 HydrophobicContact CD1-CD1 4.14Å; I160-I203 HydrophobicContact CD1-CG1 4.23Å; I160-I203 HydrophobicContact CD1-CG2 3.31Å |
| 161 | A | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V119 F143 V147 C149 I150 S168 R169 F171 | V119-A161 HydrophobicContact CG2-CB 4.11Å; F143-A161 HydrophobicContact CE2-CB 3.85Å; F143-A161 HydrophobicContact CZ-CB 3.73Å; F143-A161 WeakPolarHBondContact CZ-O 3.49Å; V147-A161 HydrophobicContact CG1-CB 3.86Å; C149-A161 VanDerWaalsContact O-CA 3.28Å; C149-A161 WeakPolarHBondContact O-CA 3.3Å; I150-A161 HydrophobicContact CG1-CB 4.34Å; A161-S168 CarbonylContact O-C 3.53Å; A161-S168 WeakPolarHBondContact O-CA 3.38Å; A161-S168 WeakPolarHBondContact O-CB 3.38Å; A161-R169 PolarHBondContact N-O 2.86Å; A161-R169 PolarHBondContact O-N 3.07Å; A161-F171 HydrophobicContact CB-CE2 4.15Å |
| 162 | G | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 149.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | V147 T148 C149 | V147-G162 CarbonylContact C-O 3.53Å; V147-G162 WeakPolarHBondContact CA-O 2.97Å; V147-G162 WeakPolarHBondContact CG1-O 3.49Å; T148-G162 PolarHBondContact N-O 2.85Å; T148-G162 PolarHBondContact OG1-O 2.91Å; C149-G162 PolarHBondContact O-N 2.88Å |
| 163 | S | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158.2 | -175.2 | 153.3 | 0 | 0 | 0 | 0 | 112.3 | N146 D165 S166 T167 I191 | N146-S163 WeakPolarHBondContact O-CA 3.47Å; N146-S163 PolarHBondContact O-OG 3.39Å; S163-D165 WeakPolarHBondContact CB-OD1 3.34Å; S163-D165 PolarHBondContact O-N 2.88Å; S163-D165 PolarHBondContact OG-N 3.1Å; S163-D165 PolarHBondContact OG-OD1 3.29Å; S163-D165 PolarHBondContact OG-OD2 2.86Å; S163-S166 PolarHBondContact O-N 3.47Å; S163-T167 PolarHBondContact N-O 3.4Å; S163-T167 VanDerWaalsContact N-O 3.15Å; S163-I191 PolarHBondContact O-N 3.13Å |
| 164 | V | 94.2 | Very high | 91.6 | Very high | 50 Ų | 50 | 21.5 Ų | 21.5 | 30% | 0.303 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.8 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | D145 N146 T148 S166 P190 | D145-V164 HydrophobicContact CB-CB 4.1Å; D145-V164 WeakPolarHBondContact OD2-CG1 3.42Å; N146-V164 HydrophobicContact CB-CG2 4.16Å; N146-V164 PolarHBondContact O-N 3.39Å; T148-V164 HydrophobicContact CG2-CG2 3.48Å; T148-V164 VanDerWaalsContact CG2-CG2 3.48Å; V164-S166 PolarHBondContact O-N 2.89Å; V164-P190 HydrophobicContact CG1-CB 4.27Å; V164-P190 HydrophobicContact CG1-CG 3.99Å |
| 165 | D | 93 | Very high | 91.2 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 14% | 0.139 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 13.6 | 175.8 | 73.7 | 1.8 | 0 | 0 | 0 | 115.1 | T144 D145 S163 T167 | T144-D165 PolarHBondContact N-OD2 3.48Å; T144-D165 WeakPolarHBondContact OG1-CB 3.47Å; T144-D165 PolarHBondContact OG1-OD2 3.36Å; D145-D165 HydrophobicContact CB-CB 3.88Å; S163-D165 WeakPolarHBondContact CB-OD1 3.34Å; S163-D165 PolarHBondContact O-N 2.88Å; S163-D165 PolarHBondContact OG-N 3.1Å; S163-D165 PolarHBondContact OG-OD1 3.29Å; S163-D165 PolarHBondContact OG-OD2 2.86Å; D165-T167 PolarHBondContact O-N 3.47Å; D165-T167 PolarHBondContact OD1-N 3.14Å; D165-T167 VanDerWaalsContact OD1-N 3.16Å; D165-T167 PolarHBondContact OD1-OG1 2.91Å |
| 166 | S | 93.8 | Very high | 90.6 | Very high | 32 Ų | 32 | 22 Ų | 22 | 22% | 0.224 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 64.1 | 11.3 | 179.8 | 71.4 | 0 | 0 | 0 | 0 | 115.4 | S163 V164 N189 | S163-S166 PolarHBondContact O-N 3.47Å; V164-S166 PolarHBondContact O-N 2.89Å; S166-N189 WeakPolarHBondContact CB-O 3.41Å |
| 167 | T | 94.8 | Very high | 89.5 | Confident | 21 Ų | 21 | 25 Ų | 25 | 13% | 0.129 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.8 | 176.3 | 73.4 | 0 | 0 | 0 | 0 | 112 | S163 D165 T183 A185 I191 | S163-T167 PolarHBondContact N-O 3.4Å; S163-T167 VanDerWaalsContact N-O 3.15Å; D165-T167 PolarHBondContact O-N 3.47Å; D165-T167 PolarHBondContact OD1-N 3.14Å; D165-T167 VanDerWaalsContact OD1-N 3.16Å; D165-T167 PolarHBondContact OD1-OG1 2.91Å; T167-T183 HydrophobicContact CG2-CG2 4.42Å; T167-A185 HydrophobicContact CG2-CB 4.44Å; T167-I191 VanDerWaalsContact O-CD1 3.29Å; T167-I191 WeakPolarHBondContact O-CD1 3.34Å |
| 168 | S | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.7 | 165.8 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | A161 L184 I191 T205 | A161-S168 CarbonylContact O-C 3.53Å; A161-S168 WeakPolarHBondContact O-CA 3.38Å; A161-S168 WeakPolarHBondContact O-CB 3.38Å; S168-L184 PolarHBondContact N-O 2.77Å; S168-L184 PolarHBondContact O-N 2.92Å; S168-L184 WeakPolarHBondContact OG-CB 3.49Å; S168-I191 VanDerWaalsContact N-CD1 3.33Å; S168-T205 WeakPolarHBondContact OG-CG2 3.32Å |
| 169 | R | 93.4 | Very high | 87.7 | Confident | 38 Ų | 38 | 28 Ų | 28 | 14% | 0.143 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 133.6 | -178.6 | -59.7 | -179.5 | -173.6 | -154.6 | 8.4 | 110.9 | G142 F143 I160 A161 F171 V181 Y182 T183 | G142-R169 VanDerWaalsContact CA-NH1 3.29Å; G142-R169 PolarHBondContact O-NH1 3.11Å; G142-R169 PolarHBondContact O-NH2 3.29Å; F143-R169 HydrophobicContact CD1-CG 4.28Å; F143-R169 HydrophobicContact CE1-CB 3.98Å; F143-R169 HydrophobicContact CE1-CG 3.49Å; F143-R169 VanDerWaalsContact CE1-CG 3.49Å; F143-R169 HydrophobicContact CE2-CB 4.33Å; F143-R169 HydrophobicContact CE2-CG 4.48Å; F143-R169 HydrophobicContact CZ-CB 3.56Å; F143-R169 HydrophobicContact CZ-CG 3.62Å; I160-R169 WeakPolarHBondContact CA-O 3.43Å; A161-R169 PolarHBondContact N-O 2.86Å; A161-R169 PolarHBondContact O-N 3.07Å; R169-F171 HydrophobicContact CB-CD2 4.42Å; R169-F171 HydrophobicContact CB-CE2 3.68Å; R169-F171 HydrophobicContact CB-CZ 3.84Å; R169-V181 HydrophobicContact CB-CG1 4.48Å; R169-Y182 CarbonylContact C-O 3.57Å; R169-Y182 VanDerWaalsContact CA-O 3.29Å; R169-Y182 WeakPolarHBondContact CA-O 3.24Å; R169-T183 HydrophobicContact CG-CG2 4.2Å |
| 170 | L | 92.2 | Very high | 86.6 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.2 | 173 | -173.8 | 72.9 | 0 | 0 | 0 | 109.2 | F158 I160 I179 V181 Y182 I196 I203 F236 | F158-L170 HydrophobicContact CB-CD1 4.06Å; I160-L170 HydrophobicContact CB-CD1 4.28Å; L170-I179 HydrophobicContact CD2-CD1 4.41Å; L170-I179 HydrophobicContact CD2-CG2 3.82Å; L170-I179 HydrophobicContact CG-CG2 4.21Å; L170-V181 WeakPolarHBondContact O-CA 3.17Å; L170-Y182 PolarHBondContact N-O 3.41Å; L170-Y182 PolarHBondContact O-N 2.78Å; L170-I196 HydrophobicContact CD1-CD1 3.89Å; L170-I203 HydrophobicContact CD1-CD1 4.32Å; L170-I203 HydrophobicContact CD2-CD1 4.37Å; L170-F236 HydrophobicContact CD2-CE2 3.72Å; L170-F236 HydrophobicContact CD2-CZ 3.76Å |
| 171 | F | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.6 | 178.8 | -64.3 | -81.3 | 0 | 0 | 0 | 110.1 | F140 F143 F158 F159 A161 R169 V181 | F140-F171 HydrophobicContact CB-CD1 3.84Å; F140-F171 HydrophobicContact CB-CE1 3.73Å; F140-F171 HydrophobicContact CB-CG 4.46Å; F140-F171 HydrophobicContact CB-CZ 4.25Å; F140-F171 HydrophobicContact CD1-CB 4.21Å; F140-F171 AromaticContact CD1-CD1 3.39Å; F140-F171 HydrophobicContact CD1-CD1 3.39Å; F140-F171 HydrophobicContact CD1-CE1 4.04Å; F140-F171 HydrophobicContact CD1-CG 4.05Å; F140-F171 HydrophobicContact CE1-CB 4.17Å; F140-F171 HydrophobicContact CE1-CD1 4.1Å; F140-F171 AromaticContact CG-CD1 3.8Å; F140-F171 HydrophobicContact CG-CD1 3.8Å; F140-F171 HydrophobicContact CG-CE1 4.22Å; F140-F171 HydrophobicContact CG-CG 4.26Å; F143-F171 AromaticContact CE2-CE2 3.66Å; F143-F171 HydrophobicContact CE2-CE2 3.66Å; F143-F171 AromaticContact CE2-CZ 3.75Å; F143-F171 HydrophobicContact CE2-CZ 3.75Å; F143-F171 HydrophobicContact CZ-CE2 4.01Å; F143-F171 HydrophobicContact CZ-CZ 4.3Å; F158-F171 CarbonylContact C-O 3.57Å; F158-F171 WeakPolarHBondContact CA-O 3.42Å; F158-F171 WeakPolarHBondContact CB-O 3.49Å; F159-F171 HydrophobicContact CD1-CB 4.12Å; F159-F171 HydrophobicContact CD2-CB 4.18Å; F159-F171 HydrophobicContact CD2-CD2 4.04Å; F159-F171 HydrophobicContact CE1-CB 3.58Å; F159-F171 HydrophobicContact CE1-CG 4.45Å; F159-F171 HydrophobicContact CE2-CB 3.64Å; F159-F171 AromaticContact CE2-CD2 3.38Å; F159-F171 HydrophobicContact CE2-CD2 3.38Å; F159-F171 HydrophobicContact CE2-CE2 4.28Å; F159-F171 AromaticContact CE2-CG 3.75Å; F159-F171 HydrophobicContact CE2-CG 3.75Å; F159-F171 HydrophobicContact CG-CB 4.39Å; F159-F171 HydrophobicContact CZ-CB 3.32Å; F159-F171 AromaticContact CZ-CD2 3.85Å; F159-F171 HydrophobicContact CZ-CD2 3.85Å; F159-F171 AromaticContact CZ-CG 3.7Å; F159-F171 HydrophobicContact CZ-CG 3.7Å; F159-F171 PolarHBondContact N-O 2.84Å; F159-F171 PolarHBondContact O-N 2.96Å; A161-F171 HydrophobicContact CB-CE2 4.15Å; R169-F171 HydrophobicContact CB-CD2 4.42Å; R169-F171 HydrophobicContact CB-CE2 3.68Å; R169-F171 HydrophobicContact CB-CZ 3.84Å; F171-V181 HydrophobicContact CD1-CB 4.44Å; F171-V181 HydrophobicContact CD1-CG1 4.27Å; F171-V181 HydrophobicContact CD1-CG2 3.7Å; F171-V181 HydrophobicContact CE1-CB 4.33Å; F171-V181 HydrophobicContact CE1-CG1 3.78Å; F171-V181 HydrophobicContact CE1-CG2 3.67Å; F171-V181 HydrophobicContact CZ-CG1 4.35Å |
| 172 | S | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.1 | 166.9 | 57.2 | 0 | 0 | 0 | 0 | 111 | F140 H174 I179 F180 | F140-S172 WeakPolarHBondContact CE1-O 2.93Å; F140-S172 WeakPolarHBondContact CZ-O 3.41Å; S172-H174 VanDerWaalsContact CB-O 3.22Å; S172-H174 WeakPolarHBondContact CB-O 3.41Å; S172-H174 PolarHBondContact OG-O 3.02Å; S172-I179 WeakPolarHBondContact CB-O 3.49Å; S172-I179 PolarHBondContact OG-O 3Å; S172-F180 PolarHBondContact N-O 2.48Å |
| 173 | V | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -51.7 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | F110 L121 Y137 W152 S156 R157 F159 | F110-V173 HydrophobicContact CD2-CG1 4.35Å; F110-V173 HydrophobicContact CE1-CG1 4.38Å; F110-V173 HydrophobicContact CE2-CG1 3.96Å; F110-V173 HydrophobicContact CZ-CG1 3.97Å; L121-V173 HydrophobicContact CD2-CB 4.42Å; L121-V173 HydrophobicContact CD2-CG1 3.73Å; L121-V173 HydrophobicContact CD2-CG2 4.17Å; Y137-V173 HydrophobicContact CE1-CG1 4.02Å; W152-V173 HydrophobicContact CH2-CG2 3.88Å; W152-V173 HydrophobicContact CZ3-CG2 3.47Å; W152-V173 VanDerWaalsContact CZ3-CG2 3.47Å; S156-V173 WeakPolarHBondContact O-CG2 3.38Å; R157-V173 PolarHBondContact O-N 2.81Å; F159-V173 HydrophobicContact CD1-CG2 4.23Å |
| 174 | H | 85.9 | Confident | 85.2 | Confident | 97 Ų | 97 | 40.7 Ų | 40.7 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 149.5 | 176.8 | -59.7 | 65.2 | 0 | 0 | 0 | 108.1 | S172 I176 | S172-H174 VanDerWaalsContact CB-O 3.22Å; S172-H174 WeakPolarHBondContact CB-O 3.41Å; S172-H174 PolarHBondContact OG-O 3.02Å; H174-I176 PolarHBondContact O-N 2.97Å |
| 175 | S | 79.2 | Confident | 85.1 | Confident | 102 Ų | 102 | 41.8 Ų | 41.8 | 71% | 0.713 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 104.7 | 179.6 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 176 | I | 73.1 | Confident | 84.8 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.4 | 175.1 | -66.2 | 166.4 | 0 | 0 | 0 | 107.5 | R157 F158 H174 K178 I179 | R157-I176 HydrophobicContact CB-CD1 4.37Å; F158-I176 HydrophobicContact CD1-CD1 4.24Å; F158-I176 HydrophobicContact CE1-CB 4.17Å; F158-I176 HydrophobicContact CE1-CD1 3.34Å; F158-I176 HydrophobicContact CE1-CG1 4.32Å; F158-I176 HydrophobicContact CE1-CG2 4.22Å; F158-I176 HydrophobicContact CE2-CD1 4.13Å; F158-I176 HydrophobicContact CZ-CB 4.49Å; F158-I176 HydrophobicContact CZ-CD1 3.28Å; F158-I176 HydrophobicContact CZ-CG1 4.43Å; F158-I176 HydrophobicContact CZ-CG2 4.18Å; H174-I176 PolarHBondContact O-N 2.97Å; I176-K178 PolarHBondContact O-N 3.5Å; I176-I179 CarbonylContact O-C 3.56Å; I176-I179 PolarHBondContact O-N 3.04Å |
| 177 | P | 66.5 | Low | 84.7 | Confident | 69 Ų | 69 | 40.8 Ų | 40.8 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 142.1 | 178.6 | 22.7 | -31.5 | 0 | 0 | 0 | 110.8 | I179 | P177-I179 PolarHBondContact O-N 2.86Å; P177-I179 VanDerWaalsContact O-N 3.14Å |
| 178 | K | 67.2 | Low | 84.6 | Confident | 125 Ų | 125 | 48.8 Ų | 48.8 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -21.9 | -176.5 | -54.4 | 179.4 | 178.1 | 175.2 | 0 | 117.3 | I176 D228 L235 | I176-K178 PolarHBondContact O-N 3.5Å; K178-D228 PolarHBondContact NZ-O 2.85Å; K178-L235 HydrophobicContact CB-CD1 4.34Å |
| 179 | I | 70 | Confident | 84.5 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 78.8 | 177.8 | -55.9 | 177.9 | 0 | 0 | 0 | 109.1 | F158 L170 S172 I176 P177 L224 L235 | F158-I179 HydrophobicContact CD1-CG2 3.84Å; F158-I179 HydrophobicContact CE1-CB 4Å; F158-I179 HydrophobicContact CE1-CD1 4.13Å; F158-I179 HydrophobicContact CE1-CG2 3.84Å; F158-I179 HydrophobicContact CZ-CD1 4.39Å; L170-I179 HydrophobicContact CD2-CD1 4.41Å; L170-I179 HydrophobicContact CD2-CG2 3.82Å; L170-I179 HydrophobicContact CG-CG2 4.21Å; S172-I179 WeakPolarHBondContact CB-O 3.49Å; S172-I179 PolarHBondContact OG-O 3Å; I176-I179 CarbonylContact O-C 3.56Å; I176-I179 PolarHBondContact O-N 3.04Å; P177-I179 PolarHBondContact O-N 2.86Å; P177-I179 VanDerWaalsContact O-N 3.14Å; I179-L224 HydrophobicContact CD1-CD1 3.7Å; I179-L224 HydrophobicContact CD1-CD2 3.47Å; I179-L224 VanDerWaalsContact CD1-CD2 3.47Å; I179-L224 HydrophobicContact CD1-CG 4.22Å; I179-L224 HydrophobicContact CG1-CD2 4.09Å; I179-L235 HydrophobicContact CD1-CD1 4.26Å; I179-L235 HydrophobicContact CG1-CD1 3.61Å |
| 180 | F | 70.2 | Confident | 84.6 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -59.8 | 167.1 | -173.4 | -104.9 | 0 | 0 | 0 | 110.1 | S172 | S172-F180 PolarHBondContact N-O 2.48Å |
| 181 | V | 83 | Confident | 84.7 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 122.6 | 169.4 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | R169 L170 F171 | R169-V181 HydrophobicContact CB-CG1 4.48Å; L170-V181 WeakPolarHBondContact O-CA 3.17Å; F171-V181 HydrophobicContact CD1-CB 4.44Å; F171-V181 HydrophobicContact CD1-CG1 4.27Å; F171-V181 HydrophobicContact CD1-CG2 3.7Å; F171-V181 HydrophobicContact CE1-CB 4.33Å; F171-V181 HydrophobicContact CE1-CG1 3.78Å; F171-V181 HydrophobicContact CE1-CG2 3.67Å; F171-V181 HydrophobicContact CZ-CG1 4.35Å |
| 182 | Y | 86.5 | Confident | 84.8 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.4 | 174.8 | -167.3 | -83.5 | 0 | 0 | 0 | 110 | R169 L170 L184 L235 F236 | R169-Y182 CarbonylContact C-O 3.57Å; R169-Y182 VanDerWaalsContact CA-O 3.29Å; R169-Y182 WeakPolarHBondContact CA-O 3.24Å; L170-Y182 PolarHBondContact N-O 3.41Å; L170-Y182 PolarHBondContact O-N 2.78Å; Y182-L184 HydrophobicContact CD1-CD2 3.88Å; Y182-L184 HydrophobicContact CD1-CG 4.3Å; Y182-L184 HydrophobicContact CE1-CD2 3.71Å; Y182-L235 HydrophobicContact CD2-CB 4.27Å; Y182-L235 HydrophobicContact CD2-CD1 3.94Å; Y182-L235 HydrophobicContact CD2-CG 4.41Å; Y182-L235 HydrophobicContact CE2-CB 3.81Å; Y182-L235 HydrophobicContact CE2-CD1 4.15Å; Y182-L235 HydrophobicContact CE2-CG 4.11Å; Y182-L235 PolarHBondContact OH-N 2.93Å; Y182-F236 AromaticContact CD1-CD2 3.65Å; Y182-F236 HydrophobicContact CD1-CD2 3.65Å; Y182-F236 HydrophobicContact CD1-CE2 4.27Å; Y182-F236 HydrophobicContact CE1-CB 4.01Å; Y182-F236 AromaticContact CE1-CD2 3.58Å; Y182-F236 HydrophobicContact CE1-CD2 3.58Å; Y182-F236 HydrophobicContact CE1-CG 4.27Å; Y182-F236 HydrophobicContact CG-CD2 4.22Å; Y182-F236 PolarHBondContact OH-N 3.23Å; Y182-F236 PolarHBondContact OH-O 3.48Å |
| 183 | T | 90.9 | Very high | 85 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.9 | -177.9 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | T167 R169 | T167-T183 HydrophobicContact CG2-CG2 4.42Å; R169-T183 HydrophobicContact CG-CG2 4.2Å |
| 184 | L | 91.5 | Very high | 85.2 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.3 | 175.2 | -58.6 | 167.4 | 0 | 0 | 0 | 108.1 | I160 S168 Y182 I203 W215 F236 | I160-L184 HydrophobicContact CD1-CD1 3.89Å; S168-L184 PolarHBondContact N-O 2.77Å; S168-L184 PolarHBondContact O-N 2.92Å; S168-L184 WeakPolarHBondContact OG-CB 3.49Å; Y182-L184 HydrophobicContact CD1-CD2 3.88Å; Y182-L184 HydrophobicContact CD1-CG 4.3Å; Y182-L184 HydrophobicContact CE1-CD2 3.71Å; L184-I203 HydrophobicContact CD1-CB 4.42Å; L184-I203 HydrophobicContact CD1-CD1 3.84Å; L184-I203 HydrophobicContact CD1-CG2 3.84Å; L184-W215 HydrophobicContact CB-CD2 4.37Å; L184-W215 HydrophobicContact CB-CH2 4.08Å; L184-W215 HydrophobicContact CB-CZ2 3.92Å; L184-W215 HydrophobicContact CB-CZ3 4.38Å; L184-W215 HydrophobicContact CD1-CG 4.46Å; L184-W215 HydrophobicContact CD2-CD2 3.8Å; L184-W215 HydrophobicContact CD2-CE3 3.57Å; L184-W215 HydrophobicContact CD2-CG 4.28Å; L184-W215 HydrophobicContact CD2-CH2 4.45Å; L184-W215 HydrophobicContact CD2-CZ3 3.91Å; L184-W215 HydrophobicContact CG-CD2 4.46Å; L184-F236 HydrophobicContact CD2-CB 3.73Å; L184-F236 HydrophobicContact CD2-CD2 4.22Å; L184-F236 HydrophobicContact CD2-CG 4.07Å |
| 185 | A | 91.3 | Very high | 85.6 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T167 | T167-A185 HydrophobicContact CG2-CB 4.44Å |
| 186 | G | 86.3 | Confident | 86.2 | Confident | 21 Ų | 21 | 47 Ų | 47 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | trans | -156.9 | -6.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 187 | H | 93.2 | Very high | 86.9 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | trans | -106.5 | 162.7 | -177.9 | -66.6 | -74.2 | 0 | 0 | 0 | 111.2 | T205 S207 L211 C213 | H187-T205 VanDerWaalsContact NE2-CB 3.34Å; H187-T205 WeakPolarHBondContact NE2-CB 3.32Å; H187-T205 PolarHBondContact NE2-OG1 3.45Å; H187-S207 WeakPolarHBondContact ND1-CB 3.38Å; H187-S207 PolarHBondContact ND1-OG 2.87Å; H187-L211 PolarHBondContact CE1-O 3.03Å; H187-L211 VanDerWaalsContact CE1-O 3.27Å; H187-C213 PolarHBondContact CE1-SG 2.9Å | ||
| 188 | K | 91.6 | Very high | 87.2 | Confident | 189 Ų | 189 | 48 Ų | 48 | 82% | 0.822 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -110.2 | -16.9 | 174.2 | -66.4 | -176.2 | 177.4 | -176.2 | 0 | 112.9 | ||
| 189 | N | 92.5 | Very high | 87.1 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -118.1 | 163.3 | -174.5 | -80.2 | 50.5 | 0 | 0 | 0 | 109.9 | S166 D209 | S166-N189 WeakPolarHBondContact CB-O 3.41Å; N189-D209 HydrophobicContact CB-CB 4.32Å |
| 190 | P | 94 | Very high | 86.6 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 29% | 0.286 | 29% | 0.285 | S | S | . | . | trans | -50.4 | 139.2 | 176.6 | -30 | 37.7 | 0 | 0 | 0 | 112.4 | V164 S207 S208 | V164-P190 HydrophobicContact CG1-CB 4.27Å; V164-P190 HydrophobicContact CG1-CG 3.99Å; P190-S207 CarbonylContact O-C 3.55Å; P190-S207 WeakPolarHBondContact O-CA 3.37Å; P190-S208 PolarHBondContact O-N 3.14Å | ||
| 191 | I | 95.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125 | 175.8 | -59.6 | -172.1 | 0 | 0 | 0 | 108.6 | T148 S163 T167 S168 A194 | T148-I191 PolarHBondContact OG1-O 3.43Å; S163-I191 PolarHBondContact O-N 3.13Å; T167-I191 VanDerWaalsContact O-CD1 3.29Å; T167-I191 WeakPolarHBondContact O-CD1 3.34Å; S168-I191 VanDerWaalsContact N-CD1 3.33Å; I191-A194 HydrophobicContact CG2-CB 4.43Å |
| 192 | M | 93.2 | Very high | 87 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -31.9 | 176.6 | -62.9 | -55.2 | -66.5 | 0 | 0 | 112 | V206 S257 V259 | M192-V206 PolarHBondContact N-O 2.87Å; M192-S257 VanDerWaalsContact CE-O 3.32Å; M192-S257 WeakPolarHBondContact CE-O 3.41Å; M192-V259 HydrophobicContact CB-CG2 4.27Å |
| 193 | G | 93.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 141.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C149 T205 V206 | C149-G193 VanDerWaalsContact SG-CA 3.6Å; G193-T205 CarbonylContact O-C 3.56Å; G193-T205 WeakPolarHBondContact O-CA 3.31Å; G193-V206 PolarHBondContact N-O 3.4Å; G193-V206 PolarHBondContact O-N 2.98Å |
| 194 | A | 94.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | D151 I160 I191 L204 T205 | D151-A194 WeakPolarHBondContact CB-O 3.45Å; I160-A194 HydrophobicContact CD1-CB 3.9Å; I160-A194 HydrophobicContact CG1-CB 3.94Å; I160-A194 HydrophobicContact CG2-CB 4.03Å; I160-A194 WeakPolarHBondContact CG2-O 3.34Å; I191-A194 HydrophobicContact CG2-CB 4.43Å; A194-L204 CarbonylContact C-O 3.54Å; A194-L204 WeakPolarHBondContact CA-O 3.23Å; A194-T205 HydrophobicContact CB-CG2 4.21Å |
| 195 | F | 94 | Very high | 87.5 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 10% | 0.101 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.7 | -171 | -53.4 | -75.2 | 0 | 0 | 0 | 112.3 | D151 I203 L204 V259 F261 L268 | D151-F195 HydrophobicContact CB-CD1 4.32Å; D151-F195 VanDerWaalsContact OD2-CA 3.28Å; D151-F195 WeakPolarHBondContact OD2-CA 3.46Å; F195-I203 WeakPolarHBondContact O-CA 3.43Å; F195-L204 HydrophobicContact CB-CB 4.44Å; F195-L204 HydrophobicContact CD2-CD2 4.4Å; F195-L204 PolarHBondContact N-O 2.74Å; F195-L204 PolarHBondContact O-N 3.02Å; F195-V259 HydrophobicContact CE2-CG1 3.6Å; F195-V259 HydrophobicContact CZ-CB 4.41Å; F195-V259 HydrophobicContact CZ-CG1 3.85Å; F195-F261 HydrophobicContact CB-CB 4.21Å; F195-F261 HydrophobicContact CB-CD1 3.87Å; F195-F261 HydrophobicContact CB-CG 4.19Å; F195-F261 HydrophobicContact CD1-CB 3.57Å; F195-F261 HydrophobicContact CD1-CG 4.42Å; F195-F261 HydrophobicContact CD2-CB 3.6Å; F195-F261 HydrophobicContact CD2-CG 4.16Å; F195-F261 HydrophobicContact CE1-CB 3.71Å; F195-F261 HydrophobicContact CE2-CB 3.75Å; F195-F261 HydrophobicContact CG-CB 3.5Å; F195-F261 HydrophobicContact CG-CD1 4.13Å; F195-F261 AromaticContact CG-CG 4Å; F195-F261 HydrophobicContact CG-CG 4Å; F195-F261 HydrophobicContact CZ-CB 3.8Å; F195-L268 HydrophobicContact CE2-CD1 4.27Å |
| 196 | I | 91.2 | Very high | 87.7 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.2 | 174.7 | -60.5 | 164.9 | 0 | 0 | 0 | 109.3 | D151 I160 L170 I203 K263 | D151-I196 PolarHBondContact OD2-N 3.03Å; I160-I196 HydrophobicContact CB-CD1 4.11Å; I160-I196 HydrophobicContact CB-CG1 4.17Å; I160-I196 HydrophobicContact CG2-CD1 3.98Å; I160-I196 HydrophobicContact CG2-CG1 3.77Å; L170-I196 HydrophobicContact CD1-CD1 3.89Å; I196-I203 HydrophobicContact CG1-CG1 4.29Å; I196-K263 WeakPolarHBondContact O-CD 3.49Å; I196-K263 VanDerWaalsContact O-CE 3.24Å; I196-K263 WeakPolarHBondContact O-CE 3.48Å |
| 197 | L | 87.9 | Confident | 88.1 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -81.6 | 149 | -179.6 | -67.9 | 159.6 | 0 | 0 | 0 | 112.4 | N199 N202 F214 F261 F282 | L197-N199 PolarHBondContact O-N 3.48Å; L197-N199 VanDerWaalsContact O-N 3.17Å; L197-N202 HydrophobicContact CB-CB 4.47Å; L197-N202 WeakPolarHBondContact CB-O 3.31Å; L197-N202 HydrophobicContact CD1-CB 3.7Å; L197-N202 PolarHBondContact N-O 3.2Å; L197-F214 HydrophobicContact CD1-CD2 4.39Å; L197-F214 HydrophobicContact CD1-CE2 3.56Å; L197-F214 HydrophobicContact CD1-CZ 4.41Å; L197-F261 HydrophobicContact CD2-CE1 3.54Å; L197-F261 HydrophobicContact CD2-CE2 4.49Å; L197-F261 HydrophobicContact CD2-CZ 3.34Å; L197-F282 HydrophobicContact CD1-CD1 4.08Å; L197-F282 HydrophobicContact CD1-CE1 3.74Å; L197-F282 HydrophobicContact CD2-CD1 4.04Å | ||
| 198 | H | 73.6 | Confident | 88.1 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 44% | 0.44 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.6 | -166.9 | -167.8 | -73.2 | 0 | 0 | 0 | 115.5 | C154 D264 | C154-H198 VanDerWaalsContact SG-CD2 3.53Å; H198-D264 IonicContact CD2-OD1 3.06Å; H198-D264 PolarHBondContact CD2-OD1 3.18Å |
| 199 | N | 63.4 | Low | 88.2 | Confident | 128 Ų | 128 | 32.1 Ų | 32.1 | 68% | 0.684 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -14.2 | -164.3 | -76.1 | -14.4 | 0 | 0 | 0 | 117 | L197 | L197-N199 PolarHBondContact O-N 3.48Å; L197-N199 VanDerWaalsContact O-N 3.17Å |
| 200 | L | 60.7 | Low | 88 | Confident | 116 Ų | 116 | 29.6 Ų | 29.6 | 61% | 0.607 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 14.9 | -163 | -68.8 | 172.8 | 0 | 0 | 0 | 114.8 | N202 A217 | L200-N202 HydrophobicContact CB-CB 4.43Å; L200-N202 PolarHBondContact O-N 2.91Å; L200-N202 PolarHBondContact O-OD1 2.85Å; L200-N202 VanDerWaalsContact O-OD1 3.08Å; L200-A217 WeakPolarHBondContact O-CB 3.33Å |
| 201 | V | 73.7 | Confident | 88 | Confident | 16 Ų | 16 | 28.5 Ų | 28.5 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | trans | 55.3 | 0 | -171.9 | -157.5 | 0 | 0 | 0 | 0 | 112.9 | I203 A217 L221 F236 | V201-I203 WeakPolarHBondContact O-CG1 3.49Å; V201-A217 HydrophobicContact CB-CB 3.89Å; V201-L221 HydrophobicContact CG2-CB 4.42Å; V201-L221 HydrophobicContact CG2-CD1 3.84Å; V201-F236 HydrophobicContact CB-CE1 4.41Å; V201-F236 HydrophobicContact CG1-CE1 3.91Å; V201-F236 HydrophobicContact CG1-CZ 3.63Å; V201-F236 VanDerWaalsContact O-CE1 3.24Å; V201-F236 WeakPolarHBondContact O-CE1 3.08Å | ||
| 202 | N | 87.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | trans | -62.4 | 142.4 | -179.9 | -66.8 | -15.1 | 0 | 0 | 0 | 110.3 | L197 L200 F214 W215 E216 A217 | L197-N202 HydrophobicContact CB-CB 4.47Å; L197-N202 WeakPolarHBondContact CB-O 3.31Å; L197-N202 HydrophobicContact CD1-CB 3.7Å; L197-N202 PolarHBondContact N-O 3.2Å; L200-N202 HydrophobicContact CB-CB 4.43Å; L200-N202 PolarHBondContact O-N 2.91Å; L200-N202 PolarHBondContact O-OD1 2.85Å; L200-N202 VanDerWaalsContact O-OD1 3.08Å; N202-F214 HydrophobicContact CB-CE2 3.64Å; N202-F214 HydrophobicContact CB-CZ 3.94Å; N202-W215 CarbonylContact C-O 3.54Å; N202-W215 VanDerWaalsContact CA-O 3.26Å; N202-W215 WeakPolarHBondContact CA-O 3.02Å; N202-E216 WeakPolarHBondContact OD1-CA 3.28Å; N202-A217 PolarHBondContact OD1-N 2.99Å | ||
| 203 | I | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.6 | -170.9 | -71.1 | 157.4 | 0 | 0 | 0 | 109.5 | I160 L170 L184 F195 I196 V201 T205 W215 F236 | I160-I203 HydrophobicContact CD1-CB 4.4Å; I160-I203 HydrophobicContact CD1-CD1 4.14Å; I160-I203 HydrophobicContact CD1-CG1 4.23Å; I160-I203 HydrophobicContact CD1-CG2 3.31Å; L170-I203 HydrophobicContact CD1-CD1 4.32Å; L170-I203 HydrophobicContact CD2-CD1 4.37Å; L184-I203 HydrophobicContact CD1-CB 4.42Å; L184-I203 HydrophobicContact CD1-CD1 3.84Å; L184-I203 HydrophobicContact CD1-CG2 3.84Å; F195-I203 WeakPolarHBondContact O-CA 3.43Å; I196-I203 HydrophobicContact CG1-CG1 4.29Å; V201-I203 WeakPolarHBondContact O-CG1 3.49Å; I203-T205 HydrophobicContact CG2-CG2 3.97Å; I203-W215 HydrophobicContact CB-CB 4.02Å; I203-W215 PolarHBondContact N-O 2.78Å; I203-W215 PolarHBondContact O-N 2.97Å; I203-F236 HydrophobicContact CD1-CD1 4.14Å; I203-F236 HydrophobicContact CD1-CE1 3.69Å; I203-F236 HydrophobicContact CD1-CE2 4.31Å; I203-F236 HydrophobicContact CD1-CZ 3.78Å; I203-F236 HydrophobicContact CG1-CE1 4.43Å |
| 204 | L | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.8 | 172 | -171.1 | 69.4 | 0 | 0 | 0 | 109 | A194 F195 I212 F261 L268 F282 | A194-L204 CarbonylContact C-O 3.54Å; A194-L204 WeakPolarHBondContact CA-O 3.23Å; F195-L204 HydrophobicContact CB-CB 4.44Å; F195-L204 HydrophobicContact CD2-CD2 4.4Å; F195-L204 PolarHBondContact N-O 2.74Å; F195-L204 PolarHBondContact O-N 3.02Å; L204-I212 HydrophobicContact CD1-CG2 3.33Å; L204-I212 HydrophobicContact CG-CG2 4.03Å; L204-F261 HydrophobicContact CD2-CD2 4.16Å; L204-F261 HydrophobicContact CD2-CE2 4.27Å; L204-L268 HydrophobicContact CD2-CD1 4.02Å; L204-L268 HydrophobicContact CD2-CD2 4.22Å; L204-F282 HydrophobicContact CD1-CD2 4.05Å; L204-F282 HydrophobicContact CD1-CE1 4.36Å; L204-F282 HydrophobicContact CD1-CE2 3.53Å; L204-F282 HydrophobicContact CD1-CZ 3.74Å; L204-F282 HydrophobicContact CD2-CD2 4.45Å |
| 205 | T | 95 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.6 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 110 | S168 H187 G193 A194 I203 I212 C213 W215 | S168-T205 WeakPolarHBondContact OG-CG2 3.32Å; H187-T205 VanDerWaalsContact NE2-CB 3.34Å; H187-T205 WeakPolarHBondContact NE2-CB 3.32Å; H187-T205 PolarHBondContact NE2-OG1 3.45Å; G193-T205 CarbonylContact O-C 3.56Å; G193-T205 WeakPolarHBondContact O-CA 3.31Å; A194-T205 HydrophobicContact CB-CG2 4.21Å; I203-T205 HydrophobicContact CG2-CG2 3.97Å; T205-I212 CarbonylContact O-C 3.59Å; T205-I212 VanDerWaalsContact O-CA 3.29Å; T205-I212 WeakPolarHBondContact O-CA 3.36Å; T205-C213 PolarHBondContact N-O 3.3Å; T205-C213 PolarHBondContact O-N 2.94Å; T205-C213 WeakPolarHBondContact OG1-CB 3.31Å; T205-C213 PolarHBondContact OG1-O 2.94Å; T205-C213 VanDerWaalsContact OG1-O 3.05Å; T205-W215 PolarHBondContact OG1-NE1 2.93Å |
| 206 | V | 95.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131 | -177.6 | -174.2 | 0 | 0 | 0 | 0 | 109 | M192 G193 I212 V259 | M192-V206 PolarHBondContact N-O 2.87Å; G193-V206 PolarHBondContact N-O 3.4Å; G193-V206 PolarHBondContact O-N 2.98Å; V206-I212 HydrophobicContact CG1-CG1 4.39Å; V206-I212 HydrophobicContact CG2-CG1 4.23Å; V206-I212 HydrophobicContact CG2-CG2 4.29Å; V206-V259 HydrophobicContact CB-CG2 4.32Å; V206-V259 HydrophobicContact CG1-CG2 3.92Å; V206-V259 HydrophobicContact CG2-CG1 4.26Å |
| 207 | S | 95.4 | Very high | 87 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 163.5 | -179.1 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | H187 P190 D209 G210 L211 | H187-S207 WeakPolarHBondContact ND1-CB 3.38Å; H187-S207 PolarHBondContact ND1-OG 2.87Å; P190-S207 CarbonylContact O-C 3.55Å; P190-S207 WeakPolarHBondContact O-CA 3.37Å; S207-D209 VanDerWaalsContact C-N 3.27Å; S207-D209 WeakPolarHBondContact CB-OD1 3.48Å; S207-D209 PolarHBondContact O-N 3.48Å; S207-D209 PolarHBondContact OG-OD1 2.95Å; S207-G210 PolarHBondContact O-N 3.38Å; S207-L211 PolarHBondContact N-O 3.48Å; S207-L211 WeakPolarHBondContact OG-CB 3.44Å; S207-L211 PolarHBondContact OG-N 3.24Å; S207-L211 PolarHBondContact OG-O 3.41Å |
| 208 | S | 93.2 | Very high | 86.5 | Confident | 22 Ų | 22 | 34 Ų | 34 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.7 | -174.4 | 79.3 | 0 | 0 | 0 | 0 | 114.4 | P190 G210 P255 V256 | P190-S208 PolarHBondContact O-N 3.14Å; S208-G210 PolarHBondContact O-N 3.17Å; S208-P255 CarbonylContact O-C 3.53Å; S208-P255 VanDerWaalsContact O-CA 3.28Å; S208-P255 WeakPolarHBondContact O-CA 3.26Å; S208-V256 PolarHBondContact O-N 3.26Å |
| 209 | D | 92.1 | Very high | 86.3 | Confident | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.342 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.7 | 174.1 | 65.5 | -38.5 | 0 | 0 | 0 | 113.3 | N189 S207 | N189-D209 HydrophobicContact CB-CB 4.32Å; S207-D209 VanDerWaalsContact C-N 3.27Å; S207-D209 WeakPolarHBondContact CB-OD1 3.48Å; S207-D209 PolarHBondContact O-N 3.48Å; S207-D209 PolarHBondContact OG-OD1 2.95Å |
| 210 | G | 90.2 | Very high | 86.5 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 83.2 | 15.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S207 S208 Y244 | S207-G210 PolarHBondContact O-N 3.38Å; S208-G210 PolarHBondContact O-N 3.17Å; G210-Y244 VanDerWaalsContact O-CD2 3.28Å; G210-Y244 WeakPolarHBondContact O-CD2 3.23Å; G210-Y244 WeakPolarHBondContact O-CE2 3.05Å |
| 211 | L | 93.4 | Very high | 86.7 | Confident | 21 Ų | 21 | 25.1 Ų | 25.1 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.5 | 171 | -179 | 74.3 | 0 | 0 | 0 | 110.4 | H187 S207 K241 R243 | H187-L211 PolarHBondContact CE1-O 3.03Å; H187-L211 VanDerWaalsContact CE1-O 3.27Å; S207-L211 PolarHBondContact N-O 3.48Å; S207-L211 WeakPolarHBondContact OG-CB 3.44Å; S207-L211 PolarHBondContact OG-N 3.24Å; S207-L211 PolarHBondContact OG-O 3.41Å; L211-K241 HydrophobicContact CD1-CB 4.3Å; L211-R243 HydrophobicContact CD1-CG 4.14Å |
| 212 | I | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.4 | 174.7 | -50.5 | 174.3 | 0 | 0 | 0 | 108.6 | L204 T205 V206 K241 Y242 Y244 L268 F285 | L204-I212 HydrophobicContact CD1-CG2 3.33Å; L204-I212 HydrophobicContact CG-CG2 4.03Å; T205-I212 CarbonylContact O-C 3.59Å; T205-I212 VanDerWaalsContact O-CA 3.29Å; T205-I212 WeakPolarHBondContact O-CA 3.36Å; V206-I212 HydrophobicContact CG1-CG1 4.39Å; V206-I212 HydrophobicContact CG2-CG1 4.23Å; V206-I212 HydrophobicContact CG2-CG2 4.29Å; I212-K241 CarbonylContact O-C 3.43Å; I212-K241 VanDerWaalsContact O-CA 3.27Å; I212-K241 WeakPolarHBondContact O-CA 3.23Å; I212-Y242 PolarHBondContact N-O 3.31Å; I212-Y242 PolarHBondContact O-N 3.47Å; I212-Y244 HydrophobicContact CD1-CE1 3.8Å; I212-Y244 HydrophobicContact CD1-CE2 4.06Å; I212-Y244 VanDerWaalsContact CD1-CZ 3.45Å; I212-Y244 WeakPolarHBondContact CD1-OH 3.47Å; I212-Y244 HydrophobicContact CG1-CE2 4.06Å; I212-L268 HydrophobicContact CD1-CD2 3.87Å; I212-F285 HydrophobicContact CD1-CD2 3.98Å; I212-F285 HydrophobicContact CD1-CE1 4.44Å; I212-F285 HydrophobicContact CD1-CE2 3.12Å; I212-F285 HydrophobicContact CD1-CZ 3.4Å; I212-F285 VanDerWaalsContact CD1-CZ 3.4Å |
| 213 | C | 93.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.8 | 171.8 | -66.8 | 0 | 0 | 0 | 0 | 109.9 | H187 T205 W215 | H187-C213 PolarHBondContact CE1-SG 2.9Å; T205-C213 PolarHBondContact N-O 3.3Å; T205-C213 PolarHBondContact O-N 2.94Å; T205-C213 WeakPolarHBondContact OG1-CB 3.31Å; T205-C213 PolarHBondContact OG1-O 2.94Å; T205-C213 VanDerWaalsContact OG1-O 3.05Å; C213-W215 HydrophobicContact CB-CZ2 4.47Å |
| 214 | F | 92.5 | Very high | 83.7 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125 | 172 | -179.7 | -135.6 | 0 | 0 | 0 | 109.9 | L197 N202 I238 S239 N240 Y242 F282 | L197-F214 HydrophobicContact CD1-CD2 4.39Å; L197-F214 HydrophobicContact CD1-CE2 3.56Å; L197-F214 HydrophobicContact CD1-CZ 4.41Å; N202-F214 HydrophobicContact CB-CE2 3.64Å; N202-F214 HydrophobicContact CB-CZ 3.94Å; F214-I238 WeakPolarHBondContact O-CA 3.19Å; F214-S239 WeakPolarHBondContact CD1-OG 3.2Å; F214-S239 WeakPolarHBondContact CE1-OG 2.79Å; F214-S239 PolarHBondContact O-N 3.29Å; F214-S239 PolarHBondContact O-OG 2.98Å; F214-N240 HydrophobicContact CB-CB 4.43Å; F214-N240 PolarHBondContact N-O 3.26Å; F214-Y242 HydrophobicContact CB-CE2 4.33Å; F214-F282 HydrophobicContact CB-CZ 3.92Å; F214-F282 HydrophobicContact CD1-CZ 4.04Å; F214-F282 AromaticContact CD2-CE1 3.54Å; F214-F282 HydrophobicContact CD2-CE1 3.54Å; F214-F282 HydrophobicContact CD2-CE2 4.49Å; F214-F282 AromaticContact CD2-CZ 3.27Å; F214-F282 HydrophobicContact CD2-CZ 3.27Å; F214-F282 HydrophobicContact CE1-CZ 4.43Å; F214-F282 AromaticContact CE2-CE1 3.45Å; F214-F282 HydrophobicContact CE2-CE1 3.45Å; F214-F282 VanDerWaalsContact CE2-CE1 3.45Å; F214-F282 AromaticContact CE2-CZ 3.67Å; F214-F282 HydrophobicContact CE2-CZ 3.67Å; F214-F282 HydrophobicContact CG-CE1 4.17Å; F214-F282 AromaticContact CG-CZ 3.49Å; F214-F282 HydrophobicContact CG-CZ 3.49Å; F214-F282 VanDerWaalsContact CG-CZ 3.49Å; F214-F282 HydrophobicContact CZ-CE1 4.06Å; F214-F282 HydrophobicContact CZ-CZ 4.26Å |
| 215 | W | 91 | Very high | 82.1 | Confident | 14 Ų | 14 | 41 Ų | 41 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.3 | -177.2 | -57.7 | 87.1 | 0 | 0 | 0 | 109 | L184 N202 I203 T205 C213 F236 R237 I238 | L184-W215 HydrophobicContact CB-CD2 4.37Å; L184-W215 HydrophobicContact CB-CH2 4.08Å; L184-W215 HydrophobicContact CB-CZ2 3.92Å; L184-W215 HydrophobicContact CB-CZ3 4.38Å; L184-W215 HydrophobicContact CD1-CG 4.46Å; L184-W215 HydrophobicContact CD2-CD2 3.8Å; L184-W215 HydrophobicContact CD2-CE3 3.57Å; L184-W215 HydrophobicContact CD2-CG 4.28Å; L184-W215 HydrophobicContact CD2-CH2 4.45Å; L184-W215 HydrophobicContact CD2-CZ3 3.91Å; L184-W215 HydrophobicContact CG-CD2 4.46Å; N202-W215 CarbonylContact C-O 3.54Å; N202-W215 VanDerWaalsContact CA-O 3.26Å; N202-W215 WeakPolarHBondContact CA-O 3.02Å; I203-W215 HydrophobicContact CB-CB 4.02Å; I203-W215 PolarHBondContact N-O 2.78Å; I203-W215 PolarHBondContact O-N 2.97Å; T205-W215 PolarHBondContact OG1-NE1 2.93Å; C213-W215 HydrophobicContact CB-CZ2 4.47Å; W215-F236 HydrophobicContact CB-CB 4.5Å; W215-F236 HydrophobicContact CE3-CB 4.41Å; W215-R237 CarbonylContact C-O 3.36Å; W215-R237 WeakPolarHBondContact CA-O 2.95Å; W215-I238 HydrophobicContact CD2-CG1 3.87Å; W215-I238 HydrophobicContact CE3-CB 4.44Å; W215-I238 HydrophobicContact CE3-CD1 4.48Å; W215-I238 HydrophobicContact CE3-CG1 3.45Å; W215-I238 VanDerWaalsContact CE3-CG1 3.45Å; W215-I238 HydrophobicContact CH2-CD1 3.47Å; W215-I238 VanDerWaalsContact CH2-CD1 3.47Å; W215-I238 HydrophobicContact CH2-CG1 3.35Å; W215-I238 HydrophobicContact CZ2-CD1 3.84Å; W215-I238 HydrophobicContact CZ2-CG1 3.75Å; W215-I238 HydrophobicContact CZ3-CB 4.5Å; W215-I238 HydrophobicContact CZ3-CD1 3.84Å; W215-I238 HydrophobicContact CZ3-CG1 3.19Å |
| 216 | E | 87.8 | Confident | 80.3 | Confident | 97 Ų | 97 | 43.7 Ų | 43.7 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.2 | 178.3 | -168 | 171.3 | -171.3 | 0 | 0 | 109.9 | N202 F236 R237 | N202-E216 WeakPolarHBondContact OD1-CA 3.28Å; E216-F236 WeakPolarHBondContact O-CA 3.26Å; E216-R237 PolarHBondContact N-O 3.37Å; E216-R237 PolarHBondContact O-N 3.32Å |
| 217 | A | 82.4 | Confident | 78.1 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 128.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | L200 V201 N202 V219 L235 F236 | L200-A217 WeakPolarHBondContact O-CB 3.33Å; V201-A217 HydrophobicContact CB-CB 3.89Å; N202-A217 PolarHBondContact OD1-N 2.99Å; A217-V219 PolarHBondContact O-N 3.42Å; A217-L235 WeakPolarHBondContact CA-O 3.47Å; A217-F236 HydrophobicContact CB-CD1 3.97Å; A217-F236 HydrophobicContact CB-CE1 3.62Å; A217-F236 HydrophobicContact CB-CZ 4.48Å |
| 218 | N | 77.5 | Confident | 76.2 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -78.5 | -4.9 | 176.9 | -69.9 | -24.4 | 0 | 0 | 0 | 113.1 | S234 L235 | N218-S234 PolarHBondContact ND2-O 2.91Å; N218-L235 PolarHBondContact N-O 3.43Å |
| 219 | V | 69.7 | Low | 74.4 | Confident | 30 Ų | 30 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -133.4 | 133.6 | -169.1 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | A217 Q223 L224 L235 | A217-V219 PolarHBondContact O-N 3.42Å; V219-Q223 HydrophobicContact CG1-CB 3.41Å; V219-Q223 VanDerWaalsContact CG1-CB 3.41Å; V219-L224 HydrophobicContact CG1-CD2 4.08Å; V219-L224 HydrophobicContact CG1-CG 4.19Å; V219-L235 HydrophobicContact CG2-CD2 3.94Å |
| 220 | S | 67.4 | Low | 72.7 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | trans | -74.2 | 157.7 | 175.3 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | D222 Q223 L224 | S220-D222 PolarHBondContact O-N 3.49Å; S220-D222 VanDerWaalsContact O-N 3.09Å; S220-Q223 PolarHBondContact O-N 2.92Å; S220-Q223 VanDerWaalsContact O-N 3.09Å; S220-Q223 WeakPolarHBondContact OG-CG 3.36Å; S220-L224 PolarHBondContact O-N 3.32Å | ||
| 221 | L | 65.2 | Low | 71 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.4 | -176.3 | -167.2 | 74.4 | 0 | 0 | 0 | 113.6 | R157 F158 V201 L224 | R157-L221 VanDerWaalsContact NH2-CD1 3.35Å; F158-L221 HydrophobicContact CE2-CD1 4.32Å; V201-L221 HydrophobicContact CG2-CB 4.42Å; V201-L221 HydrophobicContact CG2-CD1 3.84Å; L221-L224 HydrophobicContact CD1-CD1 4.5Å |
| 222 | D | 63.9 | Low | 69.1 | Low | 114 Ų | 114 | 76.5 Ų | 76.5 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -35 | -179.8 | -67.8 | -33.5 | 0 | 0 | 0 | 112.7 | S220 L224 K225 | S220-D222 PolarHBondContact O-N 3.49Å; S220-D222 VanDerWaalsContact O-N 3.09Å; D222-L224 PolarHBondContact O-N 3.08Å; D222-K225 WeakPolarHBondContact O-CB 3.44Å; D222-K225 PolarHBondContact O-N 2.89Å |
| 223 | Q | 63.9 | Low | 67.5 | Low | 105 Ų | 105 | 80.7 Ų | 80.7 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19 | 176.8 | -73.8 | 174.4 | -10.5 | 0 | 0 | 112.8 | V219 S220 K225 S226 | V219-Q223 HydrophobicContact CG1-CB 3.41Å; V219-Q223 VanDerWaalsContact CG1-CB 3.41Å; S220-Q223 PolarHBondContact O-N 2.92Å; S220-Q223 VanDerWaalsContact O-N 3.09Å; S220-Q223 WeakPolarHBondContact OG-CG 3.36Å; Q223-K225 PolarHBondContact O-N 3.44Å; Q223-S226 PolarHBondContact O-N 2.85Å; Q223-S226 PolarHBondContact O-OG 3.2Å |
| 224 | L | 62.3 | Low | 66.3 | Low | 8 Ų | 8 | 83.8 Ų | 83.8 | 4% | 0.042 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16 | 172 | -67.9 | 170.5 | 0 | 0 | 0 | 113.1 | F158 I179 V219 S220 L221 D222 | F158-L224 HydrophobicContact CZ-CD1 4.29Å; I179-L224 HydrophobicContact CD1-CD1 3.7Å; I179-L224 HydrophobicContact CD1-CD2 3.47Å; I179-L224 VanDerWaalsContact CD1-CD2 3.47Å; I179-L224 HydrophobicContact CD1-CG 4.22Å; I179-L224 HydrophobicContact CG1-CD2 4.09Å; V219-L224 HydrophobicContact CG1-CD2 4.08Å; V219-L224 HydrophobicContact CG1-CG 4.19Å; S220-L224 PolarHBondContact O-N 3.32Å; L221-L224 HydrophobicContact CD1-CD1 4.5Å; D222-L224 PolarHBondContact O-N 3.08Å |
| 225 | K | 58.8 | Low | 65.5 | Low | 135 Ų | 135 | 83.7 Ų | 83.7 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -27.2 | 177.6 | -62.9 | 178.9 | -177.5 | 168.6 | 0 | 113.2 | D222 Q223 | D222-K225 WeakPolarHBondContact O-CB 3.44Å; D222-K225 PolarHBondContact O-N 2.89Å; Q223-K225 PolarHBondContact O-N 3.44Å |
| 226 | S | 57.7 | Low | 65.1 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -90.1 | 123 | -175.4 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | Q223 D228 | Q223-S226 PolarHBondContact O-N 2.85Å; Q223-S226 PolarHBondContact O-OG 3.2Å; S226-D228 VanDerWaalsContact C-N 3.31Å; S226-D228 PolarHBondContact O-N 3.08Å |
| 227 | I | 48.9 | Very low | 65 | Low | 125 Ų | 125 | 87.3 Ų | 87.3 | 64% | 0.641 | 47% | 0.469 | S | S | * | . | trans | -74.3 | 85.7 | 176 | -56.4 | 166.4 | 0 | 0 | 0 | 108.1 | ||||
| 228 | D | 55.7 | Low | 65.2 | Low | 109 Ų | 109 | 88.6 Ų | 88.6 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | trans | -102.4 | 110.6 | 158.5 | -74.5 | -23.9 | 0 | 0 | 0 | 108.2 | K178 S226 S230 | K178-D228 PolarHBondContact NZ-O 2.85Å; S226-D228 VanDerWaalsContact C-N 3.31Å; S226-D228 PolarHBondContact O-N 3.08Å; D228-S230 PolarHBondContact O-N 3.39Å | ||
| 229 | D | 55.2 | Low | 65.7 | Low | 152 Ų | 152 | 86.4 Ų | 86.4 | 81% | 0.813 | 47% | 0.465 | S | S | * | . | trans | -79.5 | 19.7 | -175 | -80.9 | -26.5 | 0 | 0 | 0 | 114 | ||||
| 230 | S | 56 | Low | 66.6 | Low | 95 Ų | 95 | 88.8 Ų | 88.8 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -93.7 | 110.9 | -176.5 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | D228 | D228-S230 PolarHBondContact O-N 3.39Š|
| 231 | K | 53.8 | Low | 67.8 | Low | 182 Ų | 182 | 91.5 Ų | 91.5 | 79% | 0.791 | 48% | 0.48 | S | S | * | . | trans | 54.4 | 134.7 | 174.3 | -66.1 | -177.1 | -178.6 | 177.3 | 0 | 116.7 | T233 | K231-T233 VanDerWaalsContact C-N 3.31Å; K231-T233 PolarHBondContact O-N 3.48Å | ||
| 232 | P | 54.3 | Low | 69 | Low | 139 Ų | 139 | 90.5 Ų | 90.5 | 90% | 0.903 | 47% | 0.473 | S | S | * | . | trans | -71.4 | 88.5 | 172.5 | 30.6 | -32.8 | 0 | 0 | 0 | 109.4 | ||||
| 233 | T | 60.6 | Low | 70.2 | Confident | 88 Ų | 88 | 92.2 Ų | 92.2 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | trans | -78.5 | 132.4 | 167.7 | 50.8 | 0 | 0 | 0 | 0 | 108.3 | K231 L235 | K231-T233 VanDerWaalsContact C-N 3.31Å; K231-T233 PolarHBondContact O-N 3.48Å; T233-L235 PolarHBondContact O-N 3.42Å; T233-L235 VanDerWaalsContact O-N 3.17Å | ||
| 234 | S | 66.9 | Low | 71.3 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | trans | -55.2 | 122.6 | 170.4 | 54 | 0 | 0 | 0 | 0 | 108.2 | N218 F236 | N218-S234 PolarHBondContact ND2-O 2.91Å; S234-F236 VanDerWaalsContact C-N 3.26Å; S234-F236 PolarHBondContact O-N 2.61Å | ||
| 235 | L | 76.8 | Confident | 72.4 | Confident | 15 Ų | 15 | 89 Ų | 89 | 8% | 0.079 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -65.9 | -33.7 | -175 | -67.8 | 175.2 | 0 | 0 | 0 | 111.9 | K178 I179 Y182 A217 N218 V219 T233 | K178-L235 HydrophobicContact CB-CD1 4.34Å; I179-L235 HydrophobicContact CD1-CD1 4.26Å; I179-L235 HydrophobicContact CG1-CD1 3.61Å; Y182-L235 HydrophobicContact CD2-CB 4.27Å; Y182-L235 HydrophobicContact CD2-CD1 3.94Å; Y182-L235 HydrophobicContact CD2-CG 4.41Å; Y182-L235 HydrophobicContact CE2-CB 3.81Å; Y182-L235 HydrophobicContact CE2-CD1 4.15Å; Y182-L235 HydrophobicContact CE2-CG 4.11Å; Y182-L235 PolarHBondContact OH-N 2.93Å; A217-L235 WeakPolarHBondContact CA-O 3.47Å; N218-L235 PolarHBondContact N-O 3.43Å; V219-L235 HydrophobicContact CG2-CD2 3.94Å; T233-L235 PolarHBondContact O-N 3.42Å; T233-L235 VanDerWaalsContact O-N 3.17Å |
| 236 | F | 83.1 | Confident | 73.3 | Confident | 10 Ų | 10 | 84.2 Ų | 84.2 | 4% | 0.044 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.9 | 179.4 | -62.6 | -81.5 | 0 | 0 | 0 | 111.2 | L170 Y182 L184 V201 I203 W215 E216 A217 S234 | L170-F236 HydrophobicContact CD2-CE2 3.72Å; L170-F236 HydrophobicContact CD2-CZ 3.76Å; Y182-F236 AromaticContact CD1-CD2 3.65Å; Y182-F236 HydrophobicContact CD1-CD2 3.65Å; Y182-F236 HydrophobicContact CD1-CE2 4.27Å; Y182-F236 HydrophobicContact CE1-CB 4.01Å; Y182-F236 AromaticContact CE1-CD2 3.58Å; Y182-F236 HydrophobicContact CE1-CD2 3.58Å; Y182-F236 HydrophobicContact CE1-CG 4.27Å; Y182-F236 HydrophobicContact CG-CD2 4.22Å; Y182-F236 PolarHBondContact OH-N 3.23Å; Y182-F236 PolarHBondContact OH-O 3.48Å; L184-F236 HydrophobicContact CD2-CB 3.73Å; L184-F236 HydrophobicContact CD2-CD2 4.22Å; L184-F236 HydrophobicContact CD2-CG 4.07Å; V201-F236 HydrophobicContact CB-CE1 4.41Å; V201-F236 HydrophobicContact CG1-CE1 3.91Å; V201-F236 HydrophobicContact CG1-CZ 3.63Å; V201-F236 VanDerWaalsContact O-CE1 3.24Å; V201-F236 WeakPolarHBondContact O-CE1 3.08Å; I203-F236 HydrophobicContact CD1-CD1 4.14Å; I203-F236 HydrophobicContact CD1-CE1 3.69Å; I203-F236 HydrophobicContact CD1-CE2 4.31Å; I203-F236 HydrophobicContact CD1-CZ 3.78Å; I203-F236 HydrophobicContact CG1-CE1 4.43Å; W215-F236 HydrophobicContact CB-CB 4.5Å; W215-F236 HydrophobicContact CE3-CB 4.41Å; E216-F236 WeakPolarHBondContact O-CA 3.26Å; A217-F236 HydrophobicContact CB-CD1 3.97Å; A217-F236 HydrophobicContact CB-CE1 3.62Å; A217-F236 HydrophobicContact CB-CZ 4.48Å; S234-F236 VanDerWaalsContact C-N 3.26Å; S234-F236 PolarHBondContact O-N 2.61Å |
| 237 | R | 85.2 | Confident | 74.4 | Confident | 177 Ų | 177 | 85.1 Ų | 85.1 | 67% | 0.668 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.2 | 171.5 | -174.7 | 178.2 | 177.5 | 171.7 | 0.4 | 109.3 | W215 E216 S239 | W215-R237 CarbonylContact C-O 3.36Å; W215-R237 WeakPolarHBondContact CA-O 2.95Å; E216-R237 PolarHBondContact N-O 3.37Å; E216-R237 PolarHBondContact O-N 3.32Å; R237-S239 PolarHBondContact O-N 2.66Å |
| 238 | I | 86.9 | Confident | 75.8 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 23% | 0.231 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 114.7 | 168.8 | -53.9 | 176.7 | 0 | 0 | 0 | 107.5 | F214 W215 K241 | F214-I238 WeakPolarHBondContact O-CA 3.19Å; W215-I238 HydrophobicContact CD2-CG1 3.87Å; W215-I238 HydrophobicContact CE3-CB 4.44Å; W215-I238 HydrophobicContact CE3-CD1 4.48Å; W215-I238 HydrophobicContact CE3-CG1 3.45Å; W215-I238 VanDerWaalsContact CE3-CG1 3.45Å; W215-I238 HydrophobicContact CH2-CD1 3.47Å; W215-I238 VanDerWaalsContact CH2-CD1 3.47Å; W215-I238 HydrophobicContact CH2-CG1 3.35Å; W215-I238 HydrophobicContact CZ2-CD1 3.84Å; W215-I238 HydrophobicContact CZ2-CG1 3.75Å; W215-I238 HydrophobicContact CZ3-CB 4.5Å; W215-I238 HydrophobicContact CZ3-CD1 3.84Å; W215-I238 HydrophobicContact CZ3-CG1 3.19Å; I238-K241 HydrophobicContact CG2-CG 3.92Å |
| 239 | S | 87 | Confident | 76.9 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -56 | 174.6 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | F214 R237 | F214-S239 WeakPolarHBondContact CD1-OG 3.2Å; F214-S239 WeakPolarHBondContact CE1-OG 2.79Å; F214-S239 PolarHBondContact O-N 3.29Å; F214-S239 PolarHBondContact O-OG 2.98Å; R237-S239 PolarHBondContact O-N 2.66Å |
| 240 | N | 89.3 | Confident | 78.3 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 152.6 | -177.3 | -69 | -21.9 | 0 | 0 | 0 | 113 | F214 Y242 | F214-N240 HydrophobicContact CB-CB 4.43Å; F214-N240 PolarHBondContact N-O 3.26Å; N240-Y242 HydrophobicContact CB-CD2 4.4Å; N240-Y242 HydrophobicContact CB-CE1 4.5Å; N240-Y242 HydrophobicContact CB-CE2 3.56Å; N240-Y242 PolarHBondContact ND2-OH 3.1Å |
| 241 | K | 91.7 | Very high | 79.7 | Confident | 116 Ų | 116 | 85.8 Ų | 85.8 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128 | 169.8 | -64.3 | -169.8 | 178.6 | -168.4 | 0 | 109.4 | L211 I212 I238 | L211-K241 HydrophobicContact CD1-CB 4.3Å; I212-K241 CarbonylContact O-C 3.43Å; I212-K241 VanDerWaalsContact O-CA 3.27Å; I212-K241 WeakPolarHBondContact O-CA 3.23Å; I238-K241 HydrophobicContact CG2-CG 3.92Å |
| 242 | Y | 90.6 | Very high | 81.3 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 154.5 | 179.6 | -53.2 | -87.8 | 0 | 0 | 0 | 110.9 | I212 F214 N240 F282 P283 F285 | I212-Y242 PolarHBondContact N-O 3.31Å; I212-Y242 PolarHBondContact O-N 3.47Å; F214-Y242 HydrophobicContact CB-CE2 4.33Å; N240-Y242 HydrophobicContact CB-CD2 4.4Å; N240-Y242 HydrophobicContact CB-CE1 4.5Å; N240-Y242 HydrophobicContact CB-CE2 3.56Å; N240-Y242 PolarHBondContact ND2-OH 3.1Å; Y242-F282 HydrophobicContact CE2-CE2 4.05Å; Y242-P283 PolarHBondContact OH-O 3.04Å; Y242-F285 HydrophobicContact CD1-CB 3.48Å; Y242-F285 VanDerWaalsContact CD1-CB 3.48Å; Y242-F285 AromaticContact CD1-CD1 3.67Å; Y242-F285 HydrophobicContact CD1-CD1 3.67Å; Y242-F285 AromaticContact CD1-CG 3.69Å; Y242-F285 HydrophobicContact CD1-CG 3.69Å; Y242-F285 HydrophobicContact CD2-CB 4.38Å; Y242-F285 HydrophobicContact CD2-CG 4.41Å; Y242-F285 HydrophobicContact CE1-CB 3.55Å; Y242-F285 HydrophobicContact CE1-CG 4.28Å; Y242-F285 HydrophobicContact CE2-CB 4.46Å; Y242-F285 HydrophobicContact CG-CB 3.92Å; Y242-F285 AromaticContact CG-CD1 3.86Å; Y242-F285 HydrophobicContact CG-CD1 3.86Å; Y242-F285 HydrophobicContact CG-CD2 4.37Å; Y242-F285 AromaticContact CG-CG 3.76Å; Y242-F285 HydrophobicContact CG-CG 3.76Å |
| 243 | R | 88.9 | Confident | 82.8 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 57% | 0.566 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.3 | 169.8 | -72.7 | -171.1 | 175.9 | -174.5 | -2.3 | 108.3 | L211 T245 | L211-R243 HydrophobicContact CD1-CG 4.14Å; R243-T245 PolarHBondContact O-N 3.27Å |
| 244 | Y | 88.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 2% | 0.02 | 39% | 0.394 | C | S | . | . | trans | -66.7 | 126.8 | 178.6 | -59.5 | -77.8 | 0 | 0 | 0 | 111.2 | G210 I212 I252 V256 T270 F272 L278 H280 F285 | G210-Y244 VanDerWaalsContact O-CD2 3.28Å; G210-Y244 WeakPolarHBondContact O-CD2 3.23Å; G210-Y244 WeakPolarHBondContact O-CE2 3.05Å; I212-Y244 HydrophobicContact CD1-CE1 3.8Å; I212-Y244 HydrophobicContact CD1-CE2 4.06Å; I212-Y244 VanDerWaalsContact CD1-CZ 3.45Å; I212-Y244 WeakPolarHBondContact CD1-OH 3.47Å; I212-Y244 HydrophobicContact CG1-CE2 4.06Å; Y244-I252 PolarHBondContact O-N 3.24Å; Y244-I252 VanDerWaalsContact O-N 3.16Å; Y244-V256 HydrophobicContact CD2-CG2 4.41Å; Y244-V256 HydrophobicContact CE2-CG2 3.93Å; Y244-T270 HydrophobicContact CE1-CG2 3.73Å; Y244-T270 WeakPolarHBondContact CE1-OG1 3.4Å; Y244-T270 WeakPolarHBondContact OH-CG2 3.39Å; Y244-F272 HydrophobicContact CD1-CZ 4.11Å; Y244-F272 HydrophobicContact CD2-CE1 4.14Å; Y244-F272 AromaticContact CD2-CZ 3.85Å; Y244-F272 HydrophobicContact CD2-CZ 3.85Å; Y244-F272 HydrophobicContact CE2-CZ 4.36Å; Y244-F272 HydrophobicContact CG-CE1 4.38Å; Y244-F272 AromaticContact CG-CZ 3.72Å; Y244-F272 HydrophobicContact CG-CZ 3.72Å; Y244-L278 HydrophobicContact CD1-CD1 3.98Å; Y244-L278 HydrophobicContact CG-CD1 4.38Å; Y244-H280 AromaticContact CD1-CE1 3.62Å; Y244-F285 AromaticContact CD1-CZ 3.71Å; Y244-F285 HydrophobicContact CD1-CZ 3.71Å; Y244-F285 HydrophobicContact CE1-CE2 4.11Å; Y244-F285 AromaticContact CE1-CZ 3.74Å; Y244-F285 HydrophobicContact CE1-CZ 3.74Å | ||
| 245 | T | 84 | Confident | 85.4 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 148.5 | 167.7 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | R243 V250 K251 | R243-T245 PolarHBondContact O-N 3.27Å; T245-V250 CarbonylContact C-O 3.54Å; T245-V250 WeakPolarHBondContact CA-O 3.27Å; T245-K251 HydrophobicContact CG2-CG 4.31Å |
| 246 | N | 79.2 | Confident | 86.3 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | trans | -78.3 | 175.6 | 174.6 | -147.4 | 18.8 | 0 | 0 | 0 | 111.6 | N248 D249 V250 I252 E290 | N246-N248 PolarHBondContact O-N 3.31Å; N246-D249 WeakPolarHBondContact O-CA 3.41Å; N246-D249 PolarHBondContact O-N 3.47Å; N246-V250 PolarHBondContact N-O 3.35Å; N246-I252 HydrophobicContact CB-CD1 4.21Å; N246-I252 HydrophobicContact CB-CG1 4.28Å; N246-E290 VanDerWaalsContact CG-CD 3.42Å; N246-E290 VanDerWaalsContact CG-OE1 3.25Å; N246-E290 PolarHBondContact ND2-OE1 3.04Å; N246-E290 PolarHBondContact ND2-OE2 3.02Å; N246-E290 PolarHBondContact OD1-OE1 3.02Å; N246-E290 PolarHBondContact OD1-OE2 2.94Å | ||
| 247 | S | 79.1 | Confident | 86.7 | Confident | 76 Ų | 76 | 76.1 Ų | 76.1 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -27.1 | 172.4 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | E290 | S247-E290 WeakPolarHBondContact CB-OE2 3.19Å; S247-E290 PolarHBondContact OG-OE2 2.89Å |
| 248 | N | 79.9 | Confident | 87.1 | Confident | 132 Ų | 132 | 68.1 Ų | 68.1 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 17.3 | 175.3 | -64.7 | -27.4 | 0 | 0 | 0 | 114.4 | N246 V250 | N246-N248 PolarHBondContact O-N 3.31Å; N248-V250 HydrophobicContact CB-CG2 4.17Å; N248-V250 PolarHBondContact O-N 3.15Å |
| 249 | D | 78.6 | Confident | 87.6 | Confident | 132 Ų | 132 | 67.1 Ų | 67.1 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 57.8 | 15.5 | -174.4 | -75.2 | -34.4 | 0 | 0 | 0 | 115.6 | N246 | N246-D249 WeakPolarHBondContact O-CA 3.41Å; N246-D249 PolarHBondContact O-N 3.47Å |
| 250 | V | 84.3 | Confident | 88 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 56% | 0.564 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 126.9 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | T245 N246 N248 I252 | T245-V250 CarbonylContact C-O 3.54Å; T245-V250 WeakPolarHBondContact CA-O 3.27Å; N246-V250 PolarHBondContact N-O 3.35Å; N248-V250 HydrophobicContact CB-CG2 4.17Å; N248-V250 PolarHBondContact O-N 3.15Å; V250-I252 PolarHBondContact O-N 3.19Å |
| 251 | K | 84.7 | Confident | 88.2 | Confident | 138 Ų | 138 | 62.9 Ų | 62.9 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -64 | 128.5 | 176.9 | -67.7 | 177.4 | -177.1 | 171.1 | 0 | 110.6 | T245 | T245-K251 HydrophobicContact CG2-CG 4.31Å |
| 252 | I | 87.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -82 | 125.5 | 176.2 | -64.8 | 164.5 | 0 | 0 | 0 | 108.3 | Y244 N246 V250 D254 F272 L276 L278 | Y244-I252 PolarHBondContact O-N 3.24Å; Y244-I252 VanDerWaalsContact O-N 3.16Å; N246-I252 HydrophobicContact CB-CD1 4.21Å; N246-I252 HydrophobicContact CB-CG1 4.28Å; V250-I252 PolarHBondContact O-N 3.19Å; I252-D254 HydrophobicContact CG2-CB 4.1Å; I252-F272 HydrophobicContact CG2-CD1 3.96Å; I252-F272 HydrophobicContact CG2-CE1 3.8Å; I252-F272 HydrophobicContact CG2-CZ 4.28Å; I252-L276 HydrophobicContact CD1-CD2 3.72Å; I252-L278 HydrophobicContact CD1-CD1 3.49Å; I252-L278 VanDerWaalsContact CD1-CD1 3.49Å; I252-L278 HydrophobicContact CD1-CG 4.47Å |
| 253 | T | 86.9 | Confident | 88.3 | Confident | 129 Ų | 129 | 58 Ų | 58 | 79% | 0.791 | 31% | 0.312 | S | S | * | . | trans | -97.6 | -10.7 | -178.9 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 254 | D | 89.7 | Confident | 88.3 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -67 | 140.2 | -178.9 | -61.8 | -20 | 0 | 0 | 0 | 109.9 | I252 F272 S274 | I252-D254 HydrophobicContact CG2-CB 4.1Å; D254-F272 HydrophobicContact CB-CB 4.23Å; D254-F272 HydrophobicContact CB-CD1 4.18Å; D254-F272 WeakPolarHBondContact O-CD1 3.45Å; D254-S274 WeakPolarHBondContact OD2-CB 3.34Å; D254-S274 PolarHBondContact OD2-OG 2.87Å |
| 255 | P | 92.4 | Very high | 88.5 | Confident | 45 Ų | 45 | 59 Ų | 59 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 145.4 | 178.2 | 29.1 | -35.1 | 0 | 0 | 0 | 111.1 | S208 S257 F272 E273 | S208-P255 CarbonylContact O-C 3.53Å; S208-P255 VanDerWaalsContact O-CA 3.28Å; S208-P255 WeakPolarHBondContact O-CA 3.26Å; P255-S257 PolarHBondContact O-N 3.41Å; P255-F272 WeakPolarHBondContact O-CA 3.33Å; P255-E273 HydrophobicContact CG-CB 3.95Å; P255-E273 HydrophobicContact CG-CG 3.69Å; P255-E273 VanDerWaalsContact CG-OE2 3.24Å; P255-E273 WeakPolarHBondContact CG-OE2 3.15Å; P255-E273 PolarHBondContact O-N 3.4Å; P255-E273 VanDerWaalsContact O-N 3.1Å |
| 256 | V | 94.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.3 | 175.4 | 178 | 0 | 0 | 0 | 0 | 108.6 | S208 Y244 V259 F272 | S208-V256 PolarHBondContact O-N 3.26Å; Y244-V256 HydrophobicContact CD2-CG2 4.41Å; Y244-V256 HydrophobicContact CE2-CG2 3.93Å; V256-V259 HydrophobicContact CG1-CG2 3.44Å; V256-V259 VanDerWaalsContact CG1-CG2 3.44Å; V256-F272 HydrophobicContact CG2-CD1 4.19Å; V256-F272 HydrophobicContact CG2-CE1 3.76Å; V256-F272 HydrophobicContact CG2-CZ 4.39Å |
| 257 | S | 92.5 | Very high | 89.5 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -34.1 | -177.8 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | M192 P255 G271 F272 I298 | M192-S257 VanDerWaalsContact CE-O 3.32Å; M192-S257 WeakPolarHBondContact CE-O 3.41Å; P255-S257 PolarHBondContact O-N 3.41Å; S257-G271 PolarHBondContact N-O 3.35Å; S257-G271 PolarHBondContact OG-O 3.39Å; S257-F272 PolarHBondContact OG-O 3.37Å; S257-I298 WeakPolarHBondContact CB-O 3.42Å; S257-I298 PolarHBondContact OG-O 2.95Å |
| 258 | A | 94 | Very high | 90.3 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G271 I298 L301 | A258-G271 PolarHBondContact N-O 3.4Å; A258-G271 PolarHBondContact O-N 3.45Å; A258-I298 HydrophobicContact CB-CG2 4.21Å; A258-L301 HydrophobicContact CB-CB 4.12Å; A258-L301 HydrophobicContact CB-CD1 3.9Å; A258-L301 HydrophobicContact CB-CG 3.93Å |
| 259 | V | 95.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.2 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | M192 F195 V206 V256 L268 T270 | M192-V259 HydrophobicContact CB-CG2 4.27Å; F195-V259 HydrophobicContact CE2-CG1 3.6Å; F195-V259 HydrophobicContact CZ-CB 4.41Å; F195-V259 HydrophobicContact CZ-CG1 3.85Å; V206-V259 HydrophobicContact CB-CG2 4.32Å; V206-V259 HydrophobicContact CG1-CG2 3.92Å; V206-V259 HydrophobicContact CG2-CG1 4.26Å; V256-V259 HydrophobicContact CG1-CG2 3.44Å; V256-V259 VanDerWaalsContact CG1-CG2 3.44Å; V259-L268 HydrophobicContact CG1-CD1 3.64Å; V259-T270 HydrophobicContact CG1-CG2 4.06Å; V259-T270 HydrophobicContact CG2-CG2 4.34Å |
| 260 | A | 95.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A269 L301 I303 | A260-A269 PolarHBondContact N-O 3.2Å; A260-A269 PolarHBondContact O-N 3.44Å; A260-L301 HydrophobicContact CB-CB 4.15Å; A260-I303 HydrophobicContact CB-CD1 4.02Å; A260-I303 HydrophobicContact CB-CG1 3.91Å |
| 261 | F | 94.8 | Very high | 92.4 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.4 | -179.6 | -175.8 | -104 | 0 | 0 | 0 | 111.2 | F195 L197 L204 K263 K266 L267 L268 F282 | F195-F261 HydrophobicContact CB-CB 4.21Å; F195-F261 HydrophobicContact CB-CD1 3.87Å; F195-F261 HydrophobicContact CB-CG 4.19Å; F195-F261 HydrophobicContact CD1-CB 3.57Å; F195-F261 HydrophobicContact CD1-CG 4.42Å; F195-F261 HydrophobicContact CD2-CB 3.6Å; F195-F261 HydrophobicContact CD2-CG 4.16Å; F195-F261 HydrophobicContact CE1-CB 3.71Å; F195-F261 HydrophobicContact CE2-CB 3.75Å; F195-F261 HydrophobicContact CG-CB 3.5Å; F195-F261 HydrophobicContact CG-CD1 4.13Å; F195-F261 AromaticContact CG-CG 4Å; F195-F261 HydrophobicContact CG-CG 4Å; F195-F261 HydrophobicContact CZ-CB 3.8Å; L197-F261 HydrophobicContact CD2-CE1 3.54Å; L197-F261 HydrophobicContact CD2-CE2 4.49Å; L197-F261 HydrophobicContact CD2-CZ 3.34Å; L204-F261 HydrophobicContact CD2-CD2 4.16Å; L204-F261 HydrophobicContact CD2-CE2 4.27Å; F261-K263 HydrophobicContact CD1-CG 3.96Å; F261-K263 HydrophobicContact CE1-CB 4.42Å; F261-K263 HydrophobicContact CE1-CG 3.98Å; F261-K266 HydrophobicContact CZ-CB 4.3Å; F261-L267 CarbonylContact C-O 3.57Å; F261-L267 WeakPolarHBondContact CA-O 3.34Å; F261-L267 VanDerWaalsContact CD2-O 3.24Å; F261-L267 WeakPolarHBondContact CD2-O 3.33Å; F261-L268 HydrophobicContact CB-CD1 4.22Å; F261-L268 HydrophobicContact CD2-CB 3.97Å; F261-L268 HydrophobicContact CD2-CD1 3.92Å; F261-L268 HydrophobicContact CE2-CB 4.42Å; F261-F282 HydrophobicContact CE2-CB 4.05Å |
| 262 | H | 94.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.2 | 175.8 | -170.6 | -96.3 | 0 | 0 | 0 | 109.8 | L265 K266 L267 I303 R305 | H262-L265 WeakPolarHBondContact ND1-CB 3.44Å; H262-L265 WeakPolarHBondContact ND1-CG 3.36Å; H262-L265 PolarHBondContact ND1-N 2.6Å; H262-L265 VanDerWaalsContact ND1-N 3.19Å; H262-K266 CarbonylContact O-C 3.47Å; H262-K266 WeakPolarHBondContact O-CA 3.32Å; H262-K266 PolarHBondContact O-N 3.24Å; H262-L267 HydrophobicContact CB-CB 4.21Å; H262-L267 PolarHBondContact N-O 3.18Å; H262-L267 PolarHBondContact O-N 3.4Å; H262-L267 VanDerWaalsContact O-N 3.09Å; H262-I303 HydrophobicContact CB-CD1 3.93Å; H262-I303 HydrophobicContact CB-CG2 4.05Å; H262-R305 PolarHBondContact NE2-O 2.7Å; H262-R305 VanDerWaalsContact NE2-O 3.12Å |
| 263 | K | 89.6 | Confident | 93.1 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -39.5 | -169.6 | -67.3 | 175.4 | -176.6 | 165.5 | 0 | 113.7 | D151 W152 I196 F261 K266 | D151-K263 WeakPolarHBondContact OD1-CE 3.26Å; D151-K263 IonicContact OD1-NZ 3.34Å; D151-K263 PolarHBondContact OD1-NZ 3.11Å; D151-K263 WeakPolarHBondContact OD2-CE 3.25Å; D151-K263 IonicContact OD2-NZ 2.7Å; D151-K263 PolarHBondContact OD2-NZ 2.94Å; W152-K263 PolarHBondContact O-NZ 3.21Å; I196-K263 WeakPolarHBondContact O-CD 3.49Å; I196-K263 VanDerWaalsContact O-CE 3.24Å; I196-K263 WeakPolarHBondContact O-CE 3.48Å; F261-K263 HydrophobicContact CD1-CG 3.96Å; F261-K263 HydrophobicContact CE1-CB 4.42Å; F261-K263 HydrophobicContact CE1-CG 3.98Å; K263-K266 PolarHBondContact O-N 3.27Å |
| 264 | D | 89 | Confident | 93.2 | Very high | 106 Ų | 106 | 33 Ų | 33 | 57% | 0.567 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -43.3 | -171.7 | -58 | -19.6 | 0 | 0 | 0 | 111.6 | H198 K266 | H198-D264 IonicContact CD2-OD1 3.06Å; H198-D264 PolarHBondContact CD2-OD1 3.18Å; D264-K266 VanDerWaalsContact C-N 3.34Å |
| 265 | L | 91.5 | Very high | 93.3 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 37% | 0.366 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.2 | 175 | -59.6 | 178.4 | 0 | 0 | 0 | 113.2 | H262 L267 | H262-L265 WeakPolarHBondContact ND1-CB 3.44Å; H262-L265 WeakPolarHBondContact ND1-CG 3.36Å; H262-L265 PolarHBondContact ND1-N 2.6Å; H262-L265 VanDerWaalsContact ND1-N 3.19Å; L265-L267 VanDerWaalsContact C-N 3.27Å; L265-L267 HydrophobicContact CB-CD1 3.73Å; L265-L267 HydrophobicContact CB-CG 3.73Å; L265-L267 HydrophobicContact CD1-CD1 3.71Å; L265-L267 HydrophobicContact CG-CD1 4.4Å; L265-L267 PolarHBondContact O-N 2.86Å |
| 266 | K | 92.2 | Very high | 93.3 | Very high | 101 Ų | 101 | 29 Ų | 29 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 44.9 | -173.9 | -51.1 | 175 | -174.3 | 170.8 | 0 | 112.9 | F261 H262 K263 D264 F282 | F261-K266 HydrophobicContact CZ-CB 4.3Å; H262-K266 CarbonylContact O-C 3.47Å; H262-K266 WeakPolarHBondContact O-CA 3.32Å; H262-K266 PolarHBondContact O-N 3.24Å; K263-K266 PolarHBondContact O-N 3.27Å; D264-K266 VanDerWaalsContact C-N 3.34Å; K266-F282 HydrophobicContact CB-CB 4.35Å; K266-F282 WeakPolarHBondContact CB-O 3.4Å; K266-F282 VanDerWaalsContact CD-O 3.23Å; K266-F282 WeakPolarHBondContact CD-O 3.31Å; K266-F282 WeakPolarHBondContact O-CB 3.29Å; K266-F282 PolarHBondContact O-N 2.79Å |
| 267 | L | 93.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.9 | 180 | -65.6 | 172.5 | 0 | 0 | 0 | 110.2 | F261 H262 L265 L279 T281 I288 W325 | F261-L267 CarbonylContact C-O 3.57Å; F261-L267 WeakPolarHBondContact CA-O 3.34Å; F261-L267 VanDerWaalsContact CD2-O 3.24Å; F261-L267 WeakPolarHBondContact CD2-O 3.33Å; H262-L267 HydrophobicContact CB-CB 4.21Å; H262-L267 PolarHBondContact N-O 3.18Å; H262-L267 PolarHBondContact O-N 3.4Å; H262-L267 VanDerWaalsContact O-N 3.09Å; L265-L267 VanDerWaalsContact C-N 3.27Å; L265-L267 HydrophobicContact CB-CD1 3.73Å; L265-L267 HydrophobicContact CB-CG 3.73Å; L265-L267 HydrophobicContact CD1-CD1 3.71Å; L265-L267 HydrophobicContact CG-CD1 4.4Å; L265-L267 PolarHBondContact O-N 2.86Å; L267-L279 HydrophobicContact CB-CD1 4.24Å; L267-T281 HydrophobicContact CD2-CG2 4.23Å; L267-I288 HydrophobicContact CD2-CD1 3.37Å; L267-W325 HydrophobicContact CD1-CH2 4.48Å; L267-W325 HydrophobicContact CD1-CZ2 3.7Å |
| 268 | L | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.4 | 173.7 | -177.5 | 70.2 | 0 | 0 | 0 | 109.4 | F195 L204 I212 V259 F261 T270 L279 H280 F285 | F195-L268 HydrophobicContact CE2-CD1 4.27Å; L204-L268 HydrophobicContact CD2-CD1 4.02Å; L204-L268 HydrophobicContact CD2-CD2 4.22Å; I212-L268 HydrophobicContact CD1-CD2 3.87Å; V259-L268 HydrophobicContact CG1-CD1 3.64Å; F261-L268 HydrophobicContact CB-CD1 4.22Å; F261-L268 HydrophobicContact CD2-CB 3.97Å; F261-L268 HydrophobicContact CD2-CD1 3.92Å; F261-L268 HydrophobicContact CE2-CB 4.42Å; L268-T270 HydrophobicContact CD1-CG2 4.3Å; L268-T270 HydrophobicContact CD2-CG2 4Å; L268-T270 HydrophobicContact CG-CG2 3.81Å; L268-L279 WeakPolarHBondContact O-CA 3.49Å; L268-H280 PolarHBondContact N-O 3.35Å; L268-H280 PolarHBondContact O-N 3.24Å; L268-F285 HydrophobicContact CD2-CE2 4.21Å |
| 269 | A | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A260 L278 L279 I303 I310 | A260-A269 PolarHBondContact N-O 3.2Å; A260-A269 PolarHBondContact O-N 3.44Å; A269-L278 WeakPolarHBondContact CA-O 3.24Å; A269-L279 HydrophobicContact CB-CD1 4.11Å; A269-I303 HydrophobicContact CB-CD1 3.96Å; A269-I303 HydrophobicContact CB-CG1 4.37Å; A269-I310 HydrophobicContact CB-CD1 4.21Å; A269-I310 HydrophobicContact CB-CG2 4.42Å |
| 270 | T | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.6 | -175.1 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | Y244 V259 L268 L277 L278 | Y244-T270 HydrophobicContact CE1-CG2 3.73Å; Y244-T270 WeakPolarHBondContact CE1-OG1 3.4Å; Y244-T270 WeakPolarHBondContact OH-CG2 3.39Å; V259-T270 HydrophobicContact CG1-CG2 4.06Å; V259-T270 HydrophobicContact CG2-CG2 4.34Å; L268-T270 HydrophobicContact CD1-CG2 4.3Å; L268-T270 HydrophobicContact CD2-CG2 4Å; L268-T270 HydrophobicContact CG-CG2 3.81Å; T270-L277 WeakPolarHBondContact O-CA 3.21Å; T270-L278 PolarHBondContact N-O 3.06Å; T270-L278 PolarHBondContact O-N 3.25Å; T270-L278 PolarHBondContact OG1-O 2.99Å |
| 271 | G | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S257 A258 L276 | S257-G271 PolarHBondContact N-O 3.35Å; S257-G271 PolarHBondContact OG-O 3.39Å; A258-G271 PolarHBondContact N-O 3.4Å; A258-G271 PolarHBondContact O-N 3.45Å; G271-L276 WeakPolarHBondContact CA-O 3.41Å |
| 272 | F | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 162.1 | -178.3 | -63.2 | -90.4 | 0 | 0 | 0 | 111.6 | Y244 I252 D254 P255 V256 S257 S274 G275 L276 L278 I298 | Y244-F272 HydrophobicContact CD1-CZ 4.11Å; Y244-F272 HydrophobicContact CD2-CE1 4.14Å; Y244-F272 AromaticContact CD2-CZ 3.85Å; Y244-F272 HydrophobicContact CD2-CZ 3.85Å; Y244-F272 HydrophobicContact CE2-CZ 4.36Å; Y244-F272 HydrophobicContact CG-CE1 4.38Å; Y244-F272 AromaticContact CG-CZ 3.72Å; Y244-F272 HydrophobicContact CG-CZ 3.72Å; I252-F272 HydrophobicContact CG2-CD1 3.96Å; I252-F272 HydrophobicContact CG2-CE1 3.8Å; I252-F272 HydrophobicContact CG2-CZ 4.28Å; D254-F272 HydrophobicContact CB-CB 4.23Å; D254-F272 HydrophobicContact CB-CD1 4.18Å; D254-F272 WeakPolarHBondContact O-CD1 3.45Å; P255-F272 WeakPolarHBondContact O-CA 3.33Å; V256-F272 HydrophobicContact CG2-CD1 4.19Å; V256-F272 HydrophobicContact CG2-CE1 3.76Å; V256-F272 HydrophobicContact CG2-CZ 4.39Å; S257-F272 PolarHBondContact OG-O 3.37Å; F272-S274 PolarHBondContact O-N 3.28Å; F272-G275 PolarHBondContact O-N 2.85Å; F272-L276 HydrophobicContact CB-CB 4.28Å; F272-L276 HydrophobicContact CD2-CB 4.03Å; F272-L276 HydrophobicContact CD2-CD2 4.16Å; F272-L276 HydrophobicContact CD2-CG 4.36Å; F272-L276 WeakPolarHBondContact CD2-O 3.4Å; F272-L276 HydrophobicContact CE2-CD2 4.45Å; F272-L276 PolarHBondContact N-O 2.81Å; F272-L278 HydrophobicContact CD2-CG 4.48Å; F272-L278 HydrophobicContact CE2-CB 4.33Å; F272-L278 HydrophobicContact CE2-CD1 3.43Å; F272-L278 VanDerWaalsContact CE2-CD1 3.43Å; F272-L278 HydrophobicContact CE2-CG 3.67Å; F272-L278 HydrophobicContact CZ-CD1 3.75Å; F272-L278 HydrophobicContact CZ-CG 4.47Å; F272-I298 PolarHBondContact O-N 2.82Å |
| 273 | E | 91.7 | Very high | 92.3 | Very high | 110 Ų | 110 | 28.7 Ų | 28.7 | 51% | 0.514 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.9 | 174.1 | -78.8 | -171.9 | -176.3 | 0 | 0 | 113.8 | P255 G275 N296 S297 | P255-E273 HydrophobicContact CG-CB 3.95Å; P255-E273 HydrophobicContact CG-CG 3.69Å; P255-E273 VanDerWaalsContact CG-OE2 3.24Å; P255-E273 WeakPolarHBondContact CG-OE2 3.15Å; P255-E273 PolarHBondContact O-N 3.4Å; P255-E273 VanDerWaalsContact O-N 3.1Å; E273-G275 PolarHBondContact O-N 3.16Å; E273-N296 CarbonylContact O-C 3.58Å; E273-S297 WeakPolarHBondContact O-CA 3.19Å; E273-S297 WeakPolarHBondContact O-CB 3.35Å; E273-S297 PolarHBondContact O-N 2.9Å |
| 274 | S | 90.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.2 | 174.1 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | D254 F272 | D254-S274 WeakPolarHBondContact OD2-CB 3.34Å; D254-S274 PolarHBondContact OD2-OG 2.87Å; F272-S274 PolarHBondContact O-N 3.28Å |
| 275 | G | 90.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 89.9 | 0.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | F272 E273 N292 F294 N296 | F272-G275 PolarHBondContact O-N 2.85Å; E273-G275 PolarHBondContact O-N 3.16Å; G275-N292 PolarHBondContact O-OD1 2.56Å; G275-F294 VanDerWaalsContact CA-O 3.32Å; G275-F294 WeakPolarHBondContact CA-O 3.41Å; G275-N296 WeakPolarHBondContact CA-O 3.28Å; G275-N296 PolarHBondContact N-O 2.87Å |
| 276 | L | 92.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.6 | 171.7 | -167.4 | 74 | 0 | 0 | 0 | 110.8 | I252 G271 F272 L278 E290 I298 | I252-L276 HydrophobicContact CD1-CD2 3.72Å; G271-L276 WeakPolarHBondContact CA-O 3.41Å; F272-L276 HydrophobicContact CB-CB 4.28Å; F272-L276 HydrophobicContact CD2-CB 4.03Å; F272-L276 HydrophobicContact CD2-CD2 4.16Å; F272-L276 HydrophobicContact CD2-CG 4.36Å; F272-L276 WeakPolarHBondContact CD2-O 3.4Å; F272-L276 HydrophobicContact CE2-CD2 4.45Å; F272-L276 PolarHBondContact N-O 2.81Å; L276-L278 HydrophobicContact CD2-CD1 4.41Å; L276-L278 HydrophobicContact CD2-CD2 3.91Å; L276-L278 HydrophobicContact CD2-CG 4.12Å; L276-L278 HydrophobicContact CG-CD2 4.15Å; L276-L278 HydrophobicContact CG-CG 4.41Å; L276-E290 HydrophobicContact CD1-CG 3.74Å; L276-I298 VanDerWaalsContact O-CD1 3.27Å; L276-I298 WeakPolarHBondContact O-CD1 3.29Å |
| 277 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.8 | 169.8 | -173.9 | 152.4 | 0 | 0 | 0 | 108.9 | T270 V291 L293 I298 L301 I310 A312 W323 | T270-L277 WeakPolarHBondContact O-CA 3.21Å; L277-V291 PolarHBondContact N-O 2.96Å; L277-V291 PolarHBondContact O-N 3.25Å; L277-L293 HydrophobicContact CD1-CD1 3.77Å; L277-I298 HydrophobicContact CB-CD1 4.08Å; L277-L301 HydrophobicContact CD1-CD2 3.57Å; L277-I310 HydrophobicContact CD1-CG2 4.21Å; L277-A312 HydrophobicContact CD1-CB 4.33Å; L277-W323 HydrophobicContact CD2-CE3 4.1Å; L277-W323 HydrophobicContact CD2-CZ3 3.72Å |
| 278 | L | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.9 | 173.4 | -55.9 | 174.8 | 0 | 0 | 0 | 110.6 | Y244 I252 A269 T270 F272 L276 L287 E290 | Y244-L278 HydrophobicContact CD1-CD1 3.98Å; Y244-L278 HydrophobicContact CG-CD1 4.38Å; I252-L278 HydrophobicContact CD1-CD1 3.49Å; I252-L278 VanDerWaalsContact CD1-CD1 3.49Å; I252-L278 HydrophobicContact CD1-CG 4.47Å; A269-L278 WeakPolarHBondContact CA-O 3.24Å; T270-L278 PolarHBondContact N-O 3.06Å; T270-L278 PolarHBondContact O-N 3.25Å; T270-L278 PolarHBondContact OG1-O 2.99Å; F272-L278 HydrophobicContact CD2-CG 4.48Å; F272-L278 HydrophobicContact CE2-CB 4.33Å; F272-L278 HydrophobicContact CE2-CD1 3.43Å; F272-L278 VanDerWaalsContact CE2-CD1 3.43Å; F272-L278 HydrophobicContact CE2-CG 3.67Å; F272-L278 HydrophobicContact CZ-CD1 3.75Å; F272-L278 HydrophobicContact CZ-CG 4.47Å; L276-L278 HydrophobicContact CD2-CD1 4.41Å; L276-L278 HydrophobicContact CD2-CD2 3.91Å; L276-L278 HydrophobicContact CD2-CG 4.12Å; L276-L278 HydrophobicContact CG-CD2 4.15Å; L276-L278 HydrophobicContact CG-CG 4.41Å; L278-L287 HydrophobicContact CB-CD1 4.15Å; L278-L287 HydrophobicContact CD2-CD1 4.01Å; L278-E290 HydrophobicContact CD2-CB 3.77Å; L278-E290 HydrophobicContact CD2-CG 3.66Å |
| 279 | L | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.9 | 174.5 | -173.1 | 67.3 | 0 | 0 | 0 | 109.7 | L267 L268 A269 I288 S289 I310 W323 W325 | L267-L279 HydrophobicContact CB-CD1 4.24Å; L268-L279 WeakPolarHBondContact O-CA 3.49Å; A269-L279 HydrophobicContact CB-CD1 4.11Å; L279-I288 HydrophobicContact CB-CB 4.43Å; L279-I288 HydrophobicContact CD2-CB 4.25Å; L279-I288 HydrophobicContact CD2-CD1 3.98Å; L279-I288 HydrophobicContact CD2-CG2 4.27Å; L279-I288 HydrophobicContact CG-CB 4.32Å; L279-I288 HydrophobicContact CG-CD1 3.98Å; L279-I288 PolarHBondContact O-N 2.78Å; L279-S289 PolarHBondContact N-O 2.85Å; L279-I310 HydrophobicContact CD1-CD1 3.8Å; L279-I310 HydrophobicContact CD2-CD1 4.38Å; L279-W323 HydrophobicContact CD2-CZ3 4.42Å; L279-W325 HydrophobicContact CD2-CB 3.71Å; L279-W325 HydrophobicContact CD2-CD2 3.63Å; L279-W325 HydrophobicContact CD2-CE3 3.8Å; L279-W325 HydrophobicContact CD2-CG 3.6Å |
| 280 | H | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.9 | 179 | -65.5 | 77.7 | 0 | 0 | 0 | 111.4 | Y244 L268 F285 I286 | Y244-H280 AromaticContact CD1-CE1 3.62Å; L268-H280 PolarHBondContact N-O 3.35Å; L268-H280 PolarHBondContact O-N 3.24Å; H280-F285 HydrophobicContact CB-CD2 4.01Å; H280-F285 HydrophobicContact CB-CE2 3.88Å; H280-F285 AromaticContact CD2-CE1 3.78Å; H280-F285 AromaticContact CD2-CE2 3.63Å; H280-F285 AromaticContact CD2-CZ 3.52Å; H280-F285 AromaticContact CG-CE2 3.65Å; H280-F285 AromaticContact CG-CZ 3.92Å; H280-F285 AromaticContact NE2-CE1 3.89Å; H280-F285 AromaticContact NE2-CZ 3.64Å; H280-I286 CarbonylContact C-O 3.56Å; H280-I286 VanDerWaalsContact CA-O 3.22Å; H280-I286 WeakPolarHBondContact CA-O 3.42Å |
| 281 | T | 93.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 148.2 | 164.2 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | L267 F285 I286 I288 | L267-T281 HydrophobicContact CD2-CG2 4.23Å; T281-F285 WeakPolarHBondContact O-CA 3.22Å; T281-F285 PolarHBondContact O-N 2.92Å; T281-I286 PolarHBondContact N-O 2.81Å; T281-I286 PolarHBondContact O-N 2.98Å; T281-I286 WeakPolarHBondContact OG1-CB 3.38Å; T281-I288 HydrophobicContact CG2-CD1 3.33Å; T281-I288 HydrophobicContact CG2-CG1 3.63Å |
| 282 | F | 87.1 | Confident | 91.6 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 139.4 | 175.8 | -162.1 | -94.8 | 0 | 0 | 0 | 109.6 | L197 L204 F214 Y242 F261 K266 | L197-F282 HydrophobicContact CD1-CD1 4.08Å; L197-F282 HydrophobicContact CD1-CE1 3.74Å; L197-F282 HydrophobicContact CD2-CD1 4.04Å; L204-F282 HydrophobicContact CD1-CD2 4.05Å; L204-F282 HydrophobicContact CD1-CE1 4.36Å; L204-F282 HydrophobicContact CD1-CE2 3.53Å; L204-F282 HydrophobicContact CD1-CZ 3.74Å; L204-F282 HydrophobicContact CD2-CD2 4.45Å; F214-F282 HydrophobicContact CB-CZ 3.92Å; F214-F282 HydrophobicContact CD1-CZ 4.04Å; F214-F282 AromaticContact CD2-CE1 3.54Å; F214-F282 HydrophobicContact CD2-CE1 3.54Å; F214-F282 HydrophobicContact CD2-CE2 4.49Å; F214-F282 AromaticContact CD2-CZ 3.27Å; F214-F282 HydrophobicContact CD2-CZ 3.27Å; F214-F282 HydrophobicContact CE1-CZ 4.43Å; F214-F282 AromaticContact CE2-CE1 3.45Å; F214-F282 HydrophobicContact CE2-CE1 3.45Å; F214-F282 VanDerWaalsContact CE2-CE1 3.45Å; F214-F282 AromaticContact CE2-CZ 3.67Å; F214-F282 HydrophobicContact CE2-CZ 3.67Å; F214-F282 HydrophobicContact CG-CE1 4.17Å; F214-F282 AromaticContact CG-CZ 3.49Å; F214-F282 HydrophobicContact CG-CZ 3.49Å; F214-F282 VanDerWaalsContact CG-CZ 3.49Å; F214-F282 HydrophobicContact CZ-CE1 4.06Å; F214-F282 HydrophobicContact CZ-CZ 4.26Å; Y242-F282 HydrophobicContact CE2-CE2 4.05Å; F261-F282 HydrophobicContact CE2-CB 4.05Å; K266-F282 HydrophobicContact CB-CB 4.35Å; K266-F282 WeakPolarHBondContact CB-O 3.4Å; K266-F282 VanDerWaalsContact CD-O 3.23Å; K266-F282 WeakPolarHBondContact CD-O 3.31Å; K266-F282 WeakPolarHBondContact O-CB 3.29Å; K266-F282 PolarHBondContact O-N 2.79Å |
| 283 | P | 82.5 | Confident | 91.3 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.5 | -12.6 | 17.6 | 35.5 | -36.4 | 0 | 0 | 0 | 117.2 | Y242 F285 | Y242-P283 PolarHBondContact OH-O 3.04Å; P283-F285 PolarHBondContact O-N 2.92Å |
| 284 | D | 85.5 | Confident | 91.1 | Very high | 115 Ų | 115 | 35.8 Ų | 35.8 | 62% | 0.615 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.6 | -172 | -59.2 | -29.3 | 0 | 0 | 0 | 113.6 | I286 | D284-I286 HydrophobicContact CB-CD1 3.84Å; D284-I286 HydrophobicContact CB-CG1 3.86Å |
| 285 | F | 90.3 | Very high | 91 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 46.5 | -179.3 | -161.8 | -108.3 | 0 | 0 | 0 | 112.9 | I212 Y242 Y244 L268 H280 T281 P283 | I212-F285 HydrophobicContact CD1-CD2 3.98Å; I212-F285 HydrophobicContact CD1-CE1 4.44Å; I212-F285 HydrophobicContact CD1-CE2 3.12Å; I212-F285 HydrophobicContact CD1-CZ 3.4Å; I212-F285 VanDerWaalsContact CD1-CZ 3.4Å; Y242-F285 HydrophobicContact CD1-CB 3.48Å; Y242-F285 VanDerWaalsContact CD1-CB 3.48Å; Y242-F285 AromaticContact CD1-CD1 3.67Å; Y242-F285 HydrophobicContact CD1-CD1 3.67Å; Y242-F285 AromaticContact CD1-CG 3.69Å; Y242-F285 HydrophobicContact CD1-CG 3.69Å; Y242-F285 HydrophobicContact CD2-CB 4.38Å; Y242-F285 HydrophobicContact CD2-CG 4.41Å; Y242-F285 HydrophobicContact CE1-CB 3.55Å; Y242-F285 HydrophobicContact CE1-CG 4.28Å; Y242-F285 HydrophobicContact CE2-CB 4.46Å; Y242-F285 HydrophobicContact CG-CB 3.92Å; Y242-F285 AromaticContact CG-CD1 3.86Å; Y242-F285 HydrophobicContact CG-CD1 3.86Å; Y242-F285 HydrophobicContact CG-CD2 4.37Å; Y242-F285 AromaticContact CG-CG 3.76Å; Y242-F285 HydrophobicContact CG-CG 3.76Å; Y244-F285 AromaticContact CD1-CZ 3.71Å; Y244-F285 HydrophobicContact CD1-CZ 3.71Å; Y244-F285 HydrophobicContact CE1-CE2 4.11Å; Y244-F285 AromaticContact CE1-CZ 3.74Å; Y244-F285 HydrophobicContact CE1-CZ 3.74Å; L268-F285 HydrophobicContact CD2-CE2 4.21Å; H280-F285 HydrophobicContact CB-CD2 4.01Å; H280-F285 HydrophobicContact CB-CE2 3.88Å; H280-F285 AromaticContact CD2-CE1 3.78Å; H280-F285 AromaticContact CD2-CE2 3.63Å; H280-F285 AromaticContact CD2-CZ 3.52Å; H280-F285 AromaticContact CG-CE2 3.65Å; H280-F285 AromaticContact CG-CZ 3.92Å; H280-F285 AromaticContact NE2-CE1 3.89Å; H280-F285 AromaticContact NE2-CZ 3.64Å; T281-F285 WeakPolarHBondContact O-CA 3.22Å; T281-F285 PolarHBondContact O-N 2.92Å; P283-F285 PolarHBondContact O-N 2.92Å |
| 286 | I | 92.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.9 | 178.3 | -57.4 | 167.1 | 0 | 0 | 0 | 108.7 | H280 T281 D284 I288 | H280-I286 CarbonylContact C-O 3.56Å; H280-I286 VanDerWaalsContact CA-O 3.22Å; H280-I286 WeakPolarHBondContact CA-O 3.42Å; T281-I286 PolarHBondContact N-O 2.81Å; T281-I286 PolarHBondContact O-N 2.98Å; T281-I286 WeakPolarHBondContact OG1-CB 3.38Å; D284-I286 HydrophobicContact CB-CD1 3.84Å; D284-I286 HydrophobicContact CB-CG1 3.86Å; I286-I288 PolarHBondContact O-N 2.93Å |
| 287 | L | 93 | Very high | 90.8 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 118.2 | 172 | 179.3 | 66.8 | 0 | 0 | 0 | 109.7 | L278 S289 | L278-L287 HydrophobicContact CB-CD1 4.15Å; L278-L287 HydrophobicContact CD2-CD1 4.01Å; L287-S289 WeakPolarHBondContact CD1-O 3.5Å |
| 288 | I | 92.7 | Very high | 90.8 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -46.8 | 175.3 | -56.4 | 176.2 | 0 | 0 | 0 | 109.7 | L267 L279 T281 I286 W325 | L267-I288 HydrophobicContact CD2-CD1 3.37Å; L279-I288 HydrophobicContact CB-CB 4.43Å; L279-I288 HydrophobicContact CD2-CB 4.25Å; L279-I288 HydrophobicContact CD2-CD1 3.98Å; L279-I288 HydrophobicContact CD2-CG2 4.27Å; L279-I288 HydrophobicContact CG-CB 4.32Å; L279-I288 HydrophobicContact CG-CD1 3.98Å; L279-I288 PolarHBondContact O-N 2.78Å; T281-I288 HydrophobicContact CG2-CD1 3.33Å; T281-I288 HydrophobicContact CG2-CG1 3.63Å; I286-I288 PolarHBondContact O-N 2.93Å; I288-W325 HydrophobicContact CG2-CE3 4.08Å; I288-W325 HydrophobicContact CG2-CZ3 4.05Å |
| 289 | S | 92.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 146.2 | -170.3 | 40.5 | 0 | 0 | 0 | 0 | 111.9 | L279 L287 W323 | L279-S289 PolarHBondContact N-O 2.85Å; L287-S289 WeakPolarHBondContact CD1-O 3.5Å; S289-W323 VanDerWaalsContact OG-CH2 3.29Å; S289-W323 WeakPolarHBondContact OG-CH2 3.41Å |
| 290 | E | 92.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.6 | 177 | 174.8 | -167.3 | 173.5 | 0 | 0 | 107 | N246 S247 L276 L278 | N246-E290 VanDerWaalsContact CG-CD 3.42Å; N246-E290 VanDerWaalsContact CG-OE1 3.25Å; N246-E290 PolarHBondContact ND2-OE1 3.04Å; N246-E290 PolarHBondContact ND2-OE2 3.02Å; N246-E290 PolarHBondContact OD1-OE1 3.02Å; N246-E290 PolarHBondContact OD1-OE2 2.94Å; S247-E290 WeakPolarHBondContact CB-OE2 3.19Å; S247-E290 PolarHBondContact OG-OE2 2.89Å; L276-E290 HydrophobicContact CD1-CG 3.74Å; L278-E290 HydrophobicContact CD2-CB 3.77Å; L278-E290 HydrophobicContact CD2-CG 3.66Å |
| 291 | V | 93.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 45 Ų | 45 | 22% | 0.218 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.2 | -180 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | L277 L293 W323 | L277-V291 PolarHBondContact N-O 2.96Å; L277-V291 PolarHBondContact O-N 3.25Å; V291-L293 HydrophobicContact CG1-CD2 3.68Å; V291-L293 HydrophobicContact CG1-CG 3.95Å; V291-W323 HydrophobicContact CB-CZ2 4.36Å; V291-W323 HydrophobicContact CG2-CH2 3.83Å; V291-W323 HydrophobicContact CG2-CZ2 3.35Å |
| 292 | N | 91.7 | Very high | 90.9 | Very high | 107 Ų | 107 | 43.9 Ų | 43.9 | 57% | 0.572 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 97.6 | 170.3 | -167 | -10.6 | 0 | 0 | 0 | 109.8 | G275 F294 | G275-N292 PolarHBondContact O-OD1 2.56Å; N292-F294 PolarHBondContact OD1-O 3.14Å |
| 293 | L | 87.1 | Confident | 91.3 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | trans | -82.5 | -34.7 | -176.7 | -69.9 | 176.6 | 0 | 0 | 0 | 112.6 | L277 V291 A312 W323 R333 | L277-L293 HydrophobicContact CD1-CD1 3.77Å; V291-L293 HydrophobicContact CG1-CD2 3.68Å; V291-L293 HydrophobicContact CG1-CG 3.95Å; L293-A312 HydrophobicContact CD1-CB 3.77Å; L293-W323 HydrophobicContact CD1-CB 4.3Å; L293-W323 HydrophobicContact CD2-CB 4.29Å; L293-W323 HydrophobicContact CD2-CG 4.32Å; L293-R333 PolarHBondContact O-NH1 3.44Å | ||
| 294 | F | 88.8 | Confident | 91.8 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | trans | -136 | 151.4 | -175.5 | -52.6 | -60.1 | 0 | 0 | 0 | 110.1 | G275 N292 N296 I298 A312 Q319 A321 | G275-F294 VanDerWaalsContact CA-O 3.32Å; G275-F294 WeakPolarHBondContact CA-O 3.41Å; N292-F294 PolarHBondContact OD1-O 3.14Å; F294-N296 PolarHBondContact O-N 2.68Å; F294-I298 HydrophobicContact CD2-CG1 3.97Å; F294-A312 HydrophobicContact CE2-CB 3.79Å; F294-A312 HydrophobicContact CZ-CB 4.34Å; F294-Q319 HydrophobicContact CD1-CB 3.8Å; F294-Q319 HydrophobicContact CE1-CB 3.56Å; F294-Q319 HydrophobicContact CZ-CB 4.37Å; F294-A321 HydrophobicContact CE1-CB 3.97Å; F294-A321 HydrophobicContact CZ-CB 3.65Å | ||
| 295 | T | 88.2 | Confident | 92 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 67% | 0.669 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -79.4 | -2.5 | 175.9 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 296 | N | 87.3 | Confident | 92 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -131.3 | 174.2 | -174.6 | -55.7 | -43.6 | 0 | 0 | 0 | 110.4 | E273 G275 F294 I298 F317 | E273-N296 CarbonylContact O-C 3.58Å; G275-N296 WeakPolarHBondContact CA-O 3.28Å; G275-N296 PolarHBondContact N-O 2.87Å; F294-N296 PolarHBondContact O-N 2.68Å; N296-I298 PolarHBondContact O-N 2.88Å; N296-F317 WeakPolarHBondContact ND2-CD2 3.49Å; N296-F317 WeakPolarHBondContact ND2-CE2 3.39Å |
| 297 | S | 91.4 | Very high | 92 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | trans | -51.4 | 131.7 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | E273 S299 S314 | E273-S297 WeakPolarHBondContact O-CA 3.19Å; E273-S297 WeakPolarHBondContact O-CB 3.35Å; E273-S297 PolarHBondContact O-N 2.9Å; S297-S299 PolarHBondContact O-N 2.81Å; S297-S314 WeakPolarHBondContact O-CB 3.35Å; S297-S314 PolarHBondContact O-OG 2.93Å | ||
| 298 | I | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -76.8 | 117.1 | 169.7 | -66.1 | 160.2 | 0 | 0 | 0 | 108.1 | S257 A258 F272 L276 L277 F294 N296 L301 S313 | S257-I298 WeakPolarHBondContact CB-O 3.42Å; S257-I298 PolarHBondContact OG-O 2.95Å; A258-I298 HydrophobicContact CB-CG2 4.21Å; F272-I298 PolarHBondContact O-N 2.82Å; L276-I298 VanDerWaalsContact O-CD1 3.27Å; L276-I298 WeakPolarHBondContact O-CD1 3.29Å; L277-I298 HydrophobicContact CB-CD1 4.08Å; F294-I298 HydrophobicContact CD2-CG1 3.97Å; N296-I298 PolarHBondContact O-N 2.88Å; I298-L301 HydrophobicContact CG2-CD1 4.1Å; I298-L301 HydrophobicContact CG2-CD2 3.95Å; I298-L301 HydrophobicContact CG2-CG 3.65Å; I298-S313 CarbonylContact C-O 3.6Å; I298-S313 WeakPolarHBondContact CA-O 3.24Å | ||
| 299 | S | 92.8 | Very high | 92 | Very high | 40 Ų | 40 | 43 Ų | 43 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | trans | -86 | -39.3 | -177.4 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | Y15 S297 S313 | Y15-S299 VanDerWaalsContact CE1-OG 3.28Å; Y15-S299 WeakPolarHBondContact CE1-OG 3.47Å; Y15-S299 PolarHBondContact OH-OG 2.87Å; S297-S299 PolarHBondContact O-N 2.81Å; S299-S313 PolarHBondContact N-O 3.2Å; S299-S313 PolarHBondContact OG-O 3.04Å | ||
| 300 | S | 94.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.5 | 179.6 | 172 | 0 | 0 | 0 | 0 | 111.3 | G18 V20 S313 | G18-S300 WeakPolarHBondContact O-CB 3.27Å; V20-S300 PolarHBondContact N-OG 3.4Å; S300-S313 WeakPolarHBondContact CB-OG 3.29Å; S300-S313 PolarHBondContact O-N 3.17Å; S300-S313 PolarHBondContact O-OG 3.08Å |
| 301 | L | 95.7 | Very high | 92.4 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.6 | 175.1 | -78 | 170.5 | 0 | 0 | 0 | 110.8 | A258 A260 L277 I298 I310 G311 A312 | A258-L301 HydrophobicContact CB-CB 4.12Å; A258-L301 HydrophobicContact CB-CD1 3.9Å; A258-L301 HydrophobicContact CB-CG 3.93Å; A260-L301 HydrophobicContact CB-CB 4.15Å; L277-L301 HydrophobicContact CD1-CD2 3.57Å; I298-L301 HydrophobicContact CG2-CD1 4.1Å; I298-L301 HydrophobicContact CG2-CD2 3.95Å; I298-L301 HydrophobicContact CG2-CG 3.65Å; L301-I310 HydrophobicContact CD2-CG2 4.23Å; L301-G311 CarbonylContact C-O 3.57Å; L301-G311 WeakPolarHBondContact CA-O 3.21Å; L301-A312 HydrophobicContact CD2-CB 3.58Å |
| 302 | T | 95.4 | Very high | 92.5 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 13% | 0.129 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 150.7 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | V20 F22 L29 I310 G311 | V20-T302 HydrophobicContact CB-CG2 4.47Å; V20-T302 HydrophobicContact CG1-CG2 4.08Å; V20-T302 VanDerWaalsContact O-CB 3.3Å; V20-T302 WeakPolarHBondContact O-CB 3.49Å; V20-T302 VanDerWaalsContact O-CG2 3.32Å; V20-T302 WeakPolarHBondContact O-CG2 3.49Å; F22-T302 HydrophobicContact CD2-CG2 3.65Å; F22-T302 HydrophobicContact CE2-CG2 3.73Å; L29-T302 HydrophobicContact CD1-CG2 4.19Å; T302-I310 CarbonylContact O-C 3.52Å; T302-I310 WeakPolarHBondContact O-CA 3.3Å; T302-G311 PolarHBondContact N-O 2.99Å; T302-G311 PolarHBondContact O-N 3.47Å |
| 303 | I | 95.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139 | 175.4 | -56.2 | 171.5 | 0 | 0 | 0 | 107.8 | A260 H262 A269 I310 | A260-I303 HydrophobicContact CB-CD1 4.02Å; A260-I303 HydrophobicContact CB-CG1 3.91Å; H262-I303 HydrophobicContact CB-CD1 3.93Å; H262-I303 HydrophobicContact CB-CG2 4.05Å; A269-I303 HydrophobicContact CB-CD1 3.96Å; A269-I303 HydrophobicContact CB-CG1 4.37Å; I303-I310 HydrophobicContact CG1-CG1 4.34Å |
| 304 | N | 93.9 | Very high | 93 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.166 | C | C | . | . | trans | -65.8 | 156.2 | 176.6 | -167.9 | -2.2 | 0 | 0 | 0 | 110.9 | F22 G26 N306 G307 W309 | F22-N304 HydrophobicContact CD1-CB 4.24Å; F22-N304 HydrophobicContact CD2-CB 3.93Å; F22-N304 HydrophobicContact CE1-CB 4.3Å; F22-N304 HydrophobicContact CE2-CB 3.99Å; F22-N304 HydrophobicContact CG-CB 4.06Å; F22-N304 HydrophobicContact CZ-CB 4.2Å; G26-N304 WeakPolarHBondContact CA-OD1 3.39Å; G26-N304 PolarHBondContact O-ND2 3Å; N304-N306 PolarHBondContact O-N 3.42Å; N304-G307 WeakPolarHBondContact O-CA 3.45Å; N304-G307 PolarHBondContact O-N 2.81Å; N304-W309 HydrophobicContact CB-CB 3.99Å; N304-W309 WeakPolarHBondContact CB-O 3.34Å; N304-W309 PolarHBondContact N-O 2.76Å | ||
| 305 | R | 89.6 | Confident | 93 | Very high | 180 Ų | 180 | 37 Ų | 37 | 68% | 0.679 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.8 | 179 | -175.7 | 176.8 | -177.9 | 176 | 2.4 | 113.8 | N24 H262 G307 | N24-R305 PolarHBondContact O-NH1 2.9Å; H262-R305 PolarHBondContact NE2-O 2.7Å; H262-R305 VanDerWaalsContact NE2-O 3.12Å; R305-G307 VanDerWaalsContact C-N 3.29Å |
| 306 | N | 90.6 | Very high | 92.7 | Very high | 100 Ų | 100 | 35.7 Ų | 35.7 | 54% | 0.535 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.9 | 176.5 | -64.6 | 3.3 | 0 | 0 | 0 | 112.3 | N304 D308 | N304-N306 PolarHBondContact O-N 3.42Å; N306-D308 VanDerWaalsContact C-N 3.32Å |
| 307 | G | 91.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 80.3 | 4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N304 R305 W325 | N304-G307 WeakPolarHBondContact O-CA 3.45Å; N304-G307 PolarHBondContact O-N 2.81Å; R305-G307 VanDerWaalsContact C-N 3.29Å; G307-W325 PolarHBondContact O-NE1 3.29Å |
| 308 | D | 92.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -81.1 | -32.2 | -176.8 | -58.8 | -29.5 | 0 | 0 | 0 | 113 | N306 W325 R326 | N306-D308 VanDerWaalsContact C-N 3.32Å; D308-W325 VanDerWaalsContact O-CD1 3.26Å; D308-R326 IonicContact OD1-CZ 2.63Å; D308-R326 IonicContact OD1-NE 3.17Å; D308-R326 IonicContact OD1-NH1 3.99Å; D308-R326 PolarHBondContact OD1-NH1 2.95Å; D308-R326 IonicContact OD1-NH2 2.7Å; D308-R326 PolarHBondContact OD1-NH2 2.85Å |
| 309 | W | 94.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.7 | -174.8 | -65.3 | -13.6 | 0 | 0 | 0 | 111.9 | F22 L42 N304 V322 W323 Y331 | F22-W309 HydrophobicContact CE1-CB 4.34Å; F22-W309 HydrophobicContact CE1-CE3 4.19Å; F22-W309 HydrophobicContact CZ-CB 3.92Å; L42-W309 HydrophobicContact CB-CH2 3.99Å; L42-W309 HydrophobicContact CB-CZ3 3.71Å; L42-W309 HydrophobicContact CD1-CE3 3.5Å; L42-W309 HydrophobicContact CD1-CH2 4.32Å; L42-W309 HydrophobicContact CD1-CZ3 3.34Å; L42-W309 HydrophobicContact CG-CZ3 4.15Å; N304-W309 HydrophobicContact CB-CB 3.99Å; N304-W309 WeakPolarHBondContact CB-O 3.34Å; N304-W309 PolarHBondContact N-O 2.76Å; W309-V322 HydrophobicContact CB-CG1 3.82Å; W309-V322 HydrophobicContact CD2-CG1 4.24Å; W309-V322 HydrophobicContact CE3-CG1 4.44Å; W309-V322 HydrophobicContact CG-CG1 4.01Å; W309-W323 WeakPolarHBondContact CA-O 3.4Å; W309-Y331 HydrophobicContact CH2-CE1 4.47Å; W309-Y331 HydrophobicContact CZ2-CD2 4.3Å; W309-Y331 HydrophobicContact CZ2-CE2 4.24Å |
| 310 | I | 96 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.6 | 176.2 | -55.2 | -178.7 | 0 | 0 | 0 | 107.8 | A269 L277 L279 L301 T302 I303 V322 W323 W325 | A269-I310 HydrophobicContact CB-CD1 4.21Å; A269-I310 HydrophobicContact CB-CG2 4.42Å; L277-I310 HydrophobicContact CD1-CG2 4.21Å; L279-I310 HydrophobicContact CD1-CD1 3.8Å; L279-I310 HydrophobicContact CD2-CD1 4.38Å; L301-I310 HydrophobicContact CD2-CG2 4.23Å; T302-I310 CarbonylContact O-C 3.52Å; T302-I310 WeakPolarHBondContact O-CA 3.3Å; I303-I310 HydrophobicContact CG1-CG1 4.34Å; I310-V322 CarbonylContact O-C 3.56Å; I310-V322 WeakPolarHBondContact O-CA 3.43Å; I310-W323 HydrophobicContact CB-CE3 4.37Å; I310-W323 HydrophobicContact CD1-CE3 3.89Å; I310-W323 HydrophobicContact CD1-CZ3 3.9Å; I310-W323 HydrophobicContact CG1-CE3 4.46Å; I310-W323 PolarHBondContact N-O 3.5Å; I310-W323 PolarHBondContact O-N 2.94Å; I310-W325 HydrophobicContact CD1-CB 4.4Å |
| 311 | G | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L301 T302 A321 | L301-G311 CarbonylContact C-O 3.57Å; L301-G311 WeakPolarHBondContact CA-O 3.21Å; T302-G311 PolarHBondContact N-O 2.99Å; T302-G311 PolarHBondContact O-N 3.47Å; G311-A321 CarbonylContact C-O 3.56Å; G311-A321 WeakPolarHBondContact CA-O 3.46Å |
| 312 | A | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | L277 L293 F294 L301 I320 A321 | L277-A312 HydrophobicContact CD1-CB 4.33Å; L293-A312 HydrophobicContact CD1-CB 3.77Å; F294-A312 HydrophobicContact CE2-CB 3.79Å; F294-A312 HydrophobicContact CZ-CB 4.34Å; L301-A312 HydrophobicContact CD2-CB 3.58Å; A312-I320 WeakPolarHBondContact O-CA 3.4Å; A312-A321 PolarHBondContact N-O 3.11Å; A312-A321 PolarHBondContact O-N 3.13Å |
| 313 | S | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.1 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 112 | I298 S299 S300 Q319 | I298-S313 CarbonylContact C-O 3.6Å; I298-S313 WeakPolarHBondContact CA-O 3.24Å; S299-S313 PolarHBondContact N-O 3.2Å; S299-S313 PolarHBondContact OG-O 3.04Å; S300-S313 WeakPolarHBondContact CB-OG 3.29Å; S300-S313 PolarHBondContact O-N 3.17Å; S300-S313 PolarHBondContact O-OG 3.08Å; S313-Q319 CarbonylContact C-O 3.54Å; S313-Q319 VanDerWaalsContact CA-O 3.27Å; S313-Q319 WeakPolarHBondContact CA-O 3.44Å |
| 314 | S | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.5 | 176.9 | -173 | 0 | 0 | 0 | 0 | 110.4 | S297 G318 Q319 | S297-S314 WeakPolarHBondContact O-CB 3.35Å; S297-S314 PolarHBondContact O-OG 2.93Å; S314-G318 CarbonylContact O-C 3.55Å; S314-G318 WeakPolarHBondContact O-CA 3.1Å; S314-G318 PolarHBondContact O-N 2.89Å; S314-Q319 PolarHBondContact N-O 3.34Å; S314-Q319 PolarHBondContact O-N 3.44Å |
| 315 | E | 89.4 | Confident | 92.3 | Very high | 110 Ų | 110 | 35.7 Ų | 35.7 | 51% | 0.514 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -41 | -173.1 | 165.7 | 170.2 | -168 | 0 | 0 | 113.4 | Y15 K16 F317 G318 | Y15-E315 HydrophobicContact CE1-CB 4.08Å; K16-E315 WeakPolarHBondContact O-CA 3.27Å; K16-E315 WeakPolarHBondContact O-CB 2.9Å; K16-E315 VanDerWaalsContact O-CG 3.28Å; K16-E315 WeakPolarHBondContact O-CG 3.42Å; E315-F317 VanDerWaalsContact C-N 3.31Å; E315-F317 PolarHBondContact O-N 3.18Å; E315-F317 VanDerWaalsContact O-N 3.15Å; E315-G318 PolarHBondContact O-N 3.42Å |
| 316 | L | 82.7 | Confident | 92.5 | Very high | 82 Ų | 82 | 33.6 Ų | 33.6 | 43% | 0.429 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -42.9 | -168 | -172.9 | 67.2 | 0 | 0 | 0 | 113.1 | R675 | L316-R675 PolarHBondContact O-NH1 3.24Š|
| 317 | F | 84.5 | Confident | 92.6 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 35% | 0.351 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 4.6 | 177.3 | -62.1 | -37.6 | 0 | 0 | 0 | 113.1 | N296 E315 Q319 | N296-F317 WeakPolarHBondContact ND2-CD2 3.49Å; N296-F317 WeakPolarHBondContact ND2-CE2 3.39Å; E315-F317 VanDerWaalsContact C-N 3.31Å; E315-F317 PolarHBondContact O-N 3.18Å; E315-F317 VanDerWaalsContact O-N 3.15Å; F317-Q319 HydrophobicContact CB-CG 3.82Å |
| 318 | G | 88.1 | Confident | 92.6 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 50.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y15 S314 E315 S336 | Y15-G318 WeakPolarHBondContact O-CA 3.26Å; S314-G318 CarbonylContact O-C 3.55Å; S314-G318 WeakPolarHBondContact O-CA 3.1Å; S314-G318 PolarHBondContact O-N 2.89Å; E315-G318 PolarHBondContact O-N 3.42Å; G318-S336 VanDerWaalsContact O-CB 3.26Å; G318-S336 WeakPolarHBondContact O-CB 3.45Å; G318-S336 PolarHBondContact O-N 3.33Å; G318-S336 PolarHBondContact O-OG 3.23Å |
| 319 | Q | 92.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144.3 | -177 | -59.9 | -178 | -52.3 | 0 | 0 | 110.5 | F294 S313 S314 F317 D335 | F294-Q319 HydrophobicContact CD1-CB 3.8Å; F294-Q319 HydrophobicContact CE1-CB 3.56Å; F294-Q319 HydrophobicContact CZ-CB 4.37Å; S313-Q319 CarbonylContact C-O 3.54Å; S313-Q319 VanDerWaalsContact CA-O 3.27Å; S313-Q319 WeakPolarHBondContact CA-O 3.44Å; S314-Q319 PolarHBondContact N-O 3.34Å; S314-Q319 PolarHBondContact O-N 3.44Å; F317-Q319 HydrophobicContact CB-CG 3.82Å; Q319-D335 VanDerWaalsContact CG-OD1 3.32Å; Q319-D335 WeakPolarHBondContact CG-OD1 3.48Å; Q319-D335 PolarHBondContact NE2-OD1 3.49Å |
| 320 | I | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.3 | 173.6 | -165.4 | 167.4 | 0 | 0 | 0 | 109.6 | A14 V20 L29 F40 A312 A334 | A14-I320 HydrophobicContact CB-CG2 3.73Å; V20-I320 HydrophobicContact CG1-CD1 4.03Å; V20-I320 HydrophobicContact CG2-CD1 4.12Å; L29-I320 HydrophobicContact CD2-CD1 3.47Å; L29-I320 VanDerWaalsContact CD2-CD1 3.47Å; L29-I320 HydrophobicContact CD2-CG1 3.96Å; L29-I320 HydrophobicContact CG-CD1 4.34Å; F40-I320 HydrophobicContact CE2-CD1 4.13Å; F40-I320 HydrophobicContact CE2-CG2 4.3Å; F40-I320 HydrophobicContact CZ-CG2 4.2Å; A312-I320 WeakPolarHBondContact O-CA 3.4Å; I320-A334 HydrophobicContact CG2-CB 3.67Å; I320-A334 PolarHBondContact N-O 3.15Å; I320-A334 PolarHBondContact O-N 3.45Å |
| 321 | A | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F294 G311 A312 L332 | F294-A321 HydrophobicContact CE1-CB 3.97Å; F294-A321 HydrophobicContact CZ-CB 3.65Å; G311-A321 CarbonylContact C-O 3.56Å; G311-A321 WeakPolarHBondContact CA-O 3.46Å; A312-A321 PolarHBondContact N-O 3.11Å; A312-A321 PolarHBondContact O-N 3.13Å; A321-L332 CarbonylContact C-O 3.59Å; A321-L332 WeakPolarHBondContact CA-O 3.42Å |
| 322 | V | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.6 | 166 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | F22 L29 L42 W309 I310 Y331 L332 | F22-V322 HydrophobicContact CE1-CG1 4.4Å; F22-V322 HydrophobicContact CZ-CG1 4.1Å; F22-V322 HydrophobicContact CZ-CG2 4.44Å; L29-V322 HydrophobicContact CD2-CG2 3.62Å; L42-V322 HydrophobicContact CD1-CG1 4.38Å; L42-V322 HydrophobicContact CD1-CG2 4.29Å; L42-V322 HydrophobicContact CD2-CG2 4.19Å; W309-V322 HydrophobicContact CB-CG1 3.82Å; W309-V322 HydrophobicContact CD2-CG1 4.24Å; W309-V322 HydrophobicContact CE3-CG1 4.44Å; W309-V322 HydrophobicContact CG-CG1 4.01Å; I310-V322 CarbonylContact O-C 3.56Å; I310-V322 WeakPolarHBondContact O-CA 3.43Å; V322-Y331 PolarHBondContact O-N 3.18Å; V322-L332 HydrophobicContact CB-CB 3.94Å; V322-L332 HydrophobicContact CG2-CB 4.02Å; V322-L332 HydrophobicContact CG2-CD2 4.08Å; V322-L332 PolarHBondContact N-O 2.9Å; V322-L332 PolarHBondContact O-N 3.44Å |
| 323 | W | 95.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.2 | -176.9 | 179.7 | 60.6 | 0 | 0 | 0 | 110.5 | L277 L279 S289 V291 L293 W309 I310 W325 | L277-W323 HydrophobicContact CD2-CE3 4.1Å; L277-W323 HydrophobicContact CD2-CZ3 3.72Å; L279-W323 HydrophobicContact CD2-CZ3 4.42Å; S289-W323 VanDerWaalsContact OG-CH2 3.29Å; S289-W323 WeakPolarHBondContact OG-CH2 3.41Å; V291-W323 HydrophobicContact CB-CZ2 4.36Å; V291-W323 HydrophobicContact CG2-CH2 3.83Å; V291-W323 HydrophobicContact CG2-CZ2 3.35Å; L293-W323 HydrophobicContact CD1-CB 4.3Å; L293-W323 HydrophobicContact CD2-CB 4.29Å; L293-W323 HydrophobicContact CD2-CG 4.32Å; W309-W323 WeakPolarHBondContact CA-O 3.4Å; I310-W323 HydrophobicContact CB-CE3 4.37Å; I310-W323 HydrophobicContact CD1-CE3 3.89Å; I310-W323 HydrophobicContact CD1-CZ3 3.9Å; I310-W323 HydrophobicContact CG1-CE3 4.46Å; I310-W323 PolarHBondContact N-O 3.5Å; I310-W323 PolarHBondContact O-N 2.94Å; W323-W325 HydrophobicContact CD2-CB 4.22Å; W323-W325 HydrophobicContact CE3-CB 3.78Å; W323-W325 HydrophobicContact CH2-CB 3.46Å; W323-W325 VanDerWaalsContact CH2-CB 3.46Å; W323-W325 HydrophobicContact CZ2-CB 3.87Å; W323-W325 HydrophobicContact CZ3-CB 3.39Å |
| 324 | E | 95 | Very high | 91.5 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 104.5 | 171.8 | -176.3 | -178.7 | -148.3 | 0 | 0 | 108.5 | R326 S327 Q328 S329 | E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.07Å; E324-S327 WeakPolarHBondContact CB-OG 3.45Å; E324-S327 WeakPolarHBondContact CG-OG 3.33Å; E324-S327 PolarHBondContact O-OG 3.43Å; E324-S327 WeakPolarHBondContact OE2-CB 3.31Å; E324-S327 PolarHBondContact OE2-OG 3.05Å; E324-Q328 WeakPolarHBondContact O-CA 3.47Å; E324-Q328 PolarHBondContact O-N 2.84Å; E324-S329 PolarHBondContact N-O 3.41Å; E324-S329 PolarHBondContact O-N 3.35Å |
| 325 | W | 93.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 53 Ų | 53 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -25.7 | -168.7 | 66 | -91.9 | 0 | 0 | 0 | 113.6 | L267 L279 I288 G307 D308 I310 W323 Q328 | L267-W325 HydrophobicContact CD1-CH2 4.48Å; L267-W325 HydrophobicContact CD1-CZ2 3.7Å; L279-W325 HydrophobicContact CD2-CB 3.71Å; L279-W325 HydrophobicContact CD2-CD2 3.63Å; L279-W325 HydrophobicContact CD2-CE3 3.8Å; L279-W325 HydrophobicContact CD2-CG 3.6Å; I288-W325 HydrophobicContact CG2-CE3 4.08Å; I288-W325 HydrophobicContact CG2-CZ3 4.05Å; G307-W325 PolarHBondContact O-NE1 3.29Å; D308-W325 VanDerWaalsContact O-CD1 3.26Å; I310-W325 HydrophobicContact CD1-CB 4.4Å; W323-W325 HydrophobicContact CD2-CB 4.22Å; W323-W325 HydrophobicContact CE3-CB 3.78Å; W323-W325 HydrophobicContact CH2-CB 3.46Å; W323-W325 VanDerWaalsContact CH2-CB 3.46Å; W323-W325 HydrophobicContact CZ2-CB 3.87Å; W323-W325 HydrophobicContact CZ3-CB 3.39Å; W325-Q328 PolarHBondContact O-N 2.88Å |
| 326 | R | 93.3 | Very high | 91.1 | Very high | 136 Ų | 136 | 48 Ų | 48 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -43.5 | 178.6 | -68.4 | -172.8 | -177.8 | 140 | 11.3 | 112.5 | D308 E324 Q328 | D308-R326 IonicContact OD1-CZ 2.63Å; D308-R326 IonicContact OD1-NE 3.17Å; D308-R326 IonicContact OD1-NH1 3.99Å; D308-R326 PolarHBondContact OD1-NH1 2.95Å; D308-R326 IonicContact OD1-NH2 2.7Å; D308-R326 PolarHBondContact OD1-NH2 2.85Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.07Å; R326-Q328 VanDerWaalsContact C-N 3.27Å |
| 327 | S | 92.6 | Very high | 91.3 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 43% | 0.427 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.4 | 175.3 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | E324 S329 | E324-S327 WeakPolarHBondContact CB-OG 3.45Å; E324-S327 WeakPolarHBondContact CG-OG 3.33Å; E324-S327 PolarHBondContact O-OG 3.43Å; E324-S327 WeakPolarHBondContact OE2-CB 3.31Å; E324-S327 PolarHBondContact OE2-OG 3.05Å; S327-S329 PolarHBondContact O-N 3.37Å; S327-S329 VanDerWaalsContact O-N 3.14Å; S327-S329 WeakPolarHBondContact OG-CB 3.25Å; S327-S329 PolarHBondContact OG-N 2.77Å; S327-S329 PolarHBondContact OG-OG 2.78Å |
| 328 | Q | 91.2 | Very high | 91.3 | Very high | 143 Ų | 143 | 41.9 Ų | 41.9 | 67% | 0.668 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 26.6 | -171.1 | -59.3 | -177.4 | -6.5 | 0 | 0 | 112.8 | E324 W325 R326 | E324-Q328 WeakPolarHBondContact O-CA 3.47Å; E324-Q328 PolarHBondContact O-N 2.84Å; W325-Q328 PolarHBondContact O-N 2.88Å; R326-Q328 VanDerWaalsContact C-N 3.27Å |
| 329 | S | 92.3 | Very high | 91.2 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 147.3 | -176.3 | 77.4 | 0 | 0 | 0 | 0 | 111.4 | E324 S327 | E324-S329 PolarHBondContact N-O 3.41Å; E324-S329 PolarHBondContact O-N 3.35Å; S327-S329 PolarHBondContact O-N 3.37Å; S327-S329 VanDerWaalsContact O-N 3.14Å; S327-S329 WeakPolarHBondContact OG-CB 3.25Å; S327-S329 PolarHBondContact OG-N 2.77Å; S327-S329 PolarHBondContact OG-OG 2.78Å |
| 330 | C | 91.7 | Very high | 90.9 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 41% | 0.405 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.2 | 171.9 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | L332 | C330-L332 PolarHBondContact SG-O 3.04Å |
| 331 | Y | 90.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -49.2 | -178.6 | -172.6 | -90 | 0 | 0 | 0 | 111.8 | L42 W309 V322 | L42-Y331 HydrophobicContact CB-CD1 4.41Å; L42-Y331 HydrophobicContact CB-CE1 3.85Å; L42-Y331 HydrophobicContact CD2-CD1 4.29Å; L42-Y331 HydrophobicContact CD2-CE1 4.36Å; L42-Y331 VanDerWaalsContact O-CE1 3.32Å; L42-Y331 WeakPolarHBondContact O-CE1 3.45Å; L42-Y331 PolarHBondContact O-OH 2.78Å; W309-Y331 HydrophobicContact CH2-CE1 4.47Å; W309-Y331 HydrophobicContact CZ2-CD2 4.3Å; W309-Y331 HydrophobicContact CZ2-CE2 4.24Å; V322-Y331 PolarHBondContact O-N 3.18Å |
| 332 | L | 90.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.6 | 176.8 | 172.2 | 69.9 | 0 | 0 | 0 | 108.3 | F40 L42 A321 V322 C330 A334 | F40-L332 HydrophobicContact CB-CD2 4.17Å; F40-L332 HydrophobicContact CD1-CD2 3.91Å; F40-L332 HydrophobicContact CD2-CD2 4.48Å; F40-L332 HydrophobicContact CE1-CD2 4.49Å; F40-L332 HydrophobicContact CG-CD2 3.94Å; L42-L332 HydrophobicContact CD2-CB 4.14Å; L42-L332 HydrophobicContact CD2-CD2 3.79Å; A321-L332 CarbonylContact C-O 3.59Å; A321-L332 WeakPolarHBondContact CA-O 3.42Å; V322-L332 HydrophobicContact CB-CB 3.94Å; V322-L332 HydrophobicContact CG2-CB 4.02Å; V322-L332 HydrophobicContact CG2-CD2 4.08Å; V322-L332 PolarHBondContact N-O 2.9Å; V322-L332 PolarHBondContact O-N 3.44Å; C330-L332 PolarHBondContact SG-O 3.04Å; L332-A334 HydrophobicContact CD1-CB 4.34Å |
| 333 | R | 91 | Very high | 90.7 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 112.6 | 162.8 | -173.1 | 179.8 | -178.8 | 92.8 | 4.7 | 107.9 | L293 D335 | L293-R333 PolarHBondContact O-NH1 3.44Å; R333-D335 IonicContact NE-OD2 2.7Å |
| 334 | A | 90.5 | Very high | 90.7 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A14 F40 I320 L332 | A14-A334 HydrophobicContact CB-CB 3.75Å; F40-A334 HydrophobicContact CE1-CB 4.29Å; I320-A334 HydrophobicContact CG2-CB 3.67Å; I320-A334 PolarHBondContact N-O 3.15Å; I320-A334 PolarHBondContact O-N 3.45Å; L332-A334 HydrophobicContact CD1-CB 4.34Å |
| 335 | D | 88.6 | Confident | 90.7 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.2 | -178.2 | -74 | -40.5 | 0 | 0 | 0 | 109.1 | Q319 R333 K363 | Q319-D335 VanDerWaalsContact CG-OD1 3.32Å; Q319-D335 WeakPolarHBondContact CG-OD1 3.48Å; Q319-D335 PolarHBondContact NE2-OD1 3.49Å; R333-D335 IonicContact NE-OD2 2.7Å; D335-K363 WeakPolarHBondContact O-CE 3.41Å; D335-K363 PolarHBondContact O-NZ 3.39Å |
| 336 | S | 86.4 | Confident | 90.7 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | trans | -71.7 | 165 | 170.2 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | G12 T13 A14 G318 S338 | G12-S336 WeakPolarHBondContact O-CA 3.27Å; T13-S336 VanDerWaalsContact CA-OG 3.29Å; T13-S336 WeakPolarHBondContact CA-OG 3.47Å; A14-S336 PolarHBondContact N-OG 3.42Å; G318-S336 VanDerWaalsContact O-CB 3.26Å; G318-S336 WeakPolarHBondContact O-CB 3.45Å; G318-S336 PolarHBondContact O-N 3.33Å; G318-S336 PolarHBondContact O-OG 3.23Å; S336-S338 PolarHBondContact O-N 3.43Å | ||
| 337 | H | 87.4 | Confident | 90.6 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.06 | 20% | 0.198 | C | C | . | . | trans | -67.2 | 122.6 | 156.5 | -80.6 | -78.6 | 0 | 0 | 0 | 109.2 | G12 K339 M341 T355 D359 | G12-H337 PolarHBondContact O-N 3.1Å; H337-K339 VanDerWaalsContact C-N 3.26Å; H337-K339 PolarHBondContact O-N 3.1Å; H337-M341 HydrophobicContact CB-CG 3.72Å; H337-M341 HydrophobicContact CB-SD 4.32Å; H337-M341 VanDerWaalsContact CD2-CG 3.42Å; H337-M341 WeakPolarHBondContact CD2-CG 3.25Å; H337-M341 PolarHBondContact CD2-SD 3.4Å; H337-T355 PolarHBondContact NE2-OG1 2.89Å; H337-D359 WeakPolarHBondContact CA-OD2 3.46Å; H337-D359 IonicContact CE1-OD1 2.84Å; H337-D359 IonicContact CG-OD2 2.77Å; H337-D359 VanDerWaalsContact ND1-CG 3.35Å; H337-D359 IonicContact ND1-OD1 3.19Å; H337-D359 PolarHBondContact ND1-OD1 3.44Å; H337-D359 IonicContact ND1-OD2 3.94Å; H337-D359 PolarHBondContact ND1-OD2 2.99Å; H337-D359 VanDerWaalsContact ND1-OD2 3.1Å | ||
| 338 | S | 84 | Confident | 90.4 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -76.6 | -16.8 | -177.7 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | S336 D359 R675 | S336-S338 PolarHBondContact O-N 3.43Å; S338-D359 PolarHBondContact N-OD2 2.92Å; S338-D359 WeakPolarHBondContact OG-CB 3.06Å; S338-R675 PolarHBondContact O-NH2 2.88Å |
| 339 | K | 85.1 | Confident | 89.9 | Confident | 76 Ų | 76 | 31.2 Ų | 31.2 | 33% | 0.33 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -130.3 | 174.7 | 178.6 | -69 | 176.2 | 167.9 | -164.8 | 0 | 108.8 | H337 M341 Y358 D359 G672 | H337-K339 VanDerWaalsContact C-N 3.26Å; H337-K339 PolarHBondContact O-N 3.1Å; K339-M341 PolarHBondContact O-N 3.47Å; K339-Y358 WeakPolarHBondContact CD-O 3.42Å; K339-D359 HydrophobicContact CB-CB 4.17Å; K339-D359 HydrophobicContact CD-CB 4.5Å; K339-D359 HydrophobicContact CG-CB 4.43Å; K339-G672 WeakPolarHBondContact CD-O 3.28Å; K339-G672 WeakPolarHBondContact CE-O 3.26Å; K339-G672 PolarHBondContact NZ-O 3.1Å; K339-G672 VanDerWaalsContact NZ-O 3.08Å |
| 340 | E | 86 | Confident | 89.5 | Confident | 37 Ų | 37 | 29.3 Ų | 29.3 | 17% | 0.173 | 15% | 0.151 | C | C | . | . | trans | -57.2 | 136.1 | 179.3 | -172.8 | -175.2 | 179.2 | 0 | 0 | 111.5 | G357 Y358 R685 S687 | E340-G357 WeakPolarHBondContact O-CA 3.35Å; E340-Y358 HydrophobicContact CB-CD2 4.17Å; E340-Y358 PolarHBondContact O-N 3.13Å; E340-R685 WeakPolarHBondContact OE1-CD 3.32Å; E340-R685 IonicContact OE1-CZ 2.76Å; E340-R685 VanDerWaalsContact OE1-CZ 3.25Å; E340-R685 IonicContact OE1-NE 3.17Å; E340-R685 PolarHBondContact OE1-NE 2.92Å; E340-R685 IonicContact OE1-NH1 3.86Å; E340-R685 PolarHBondContact OE1-NH1 2.9Å; E340-R685 IonicContact OE2-NH1 3.78Å; E340-R685 PolarHBondContact OE2-NH1 3.06Å; E340-S687 PolarHBondContact OE1-OG 2.84Å | ||
| 341 | M | 92.6 | Very high | 89.2 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.4 | 173.2 | -67.8 | 178.9 | -70.8 | 0 | 0 | 109.8 | H337 K339 T355 G356 S687 V701 G705 I706 | H337-M341 HydrophobicContact CB-CG 3.72Å; H337-M341 HydrophobicContact CB-SD 4.32Å; H337-M341 VanDerWaalsContact CD2-CG 3.42Å; H337-M341 WeakPolarHBondContact CD2-CG 3.25Å; H337-M341 PolarHBondContact CD2-SD 3.4Å; K339-M341 PolarHBondContact O-N 3.47Å; M341-T355 HydrophobicContact SD-CG2 4.35Å; M341-G356 WeakPolarHBondContact CA-O 3.3Å; M341-S687 VanDerWaalsContact O-CB 3.23Å; M341-S687 WeakPolarHBondContact O-CB 3.46Å; M341-S687 PolarHBondContact O-OG 2.85Å; M341-V701 HydrophobicContact CB-CB 4.49Å; M341-V701 HydrophobicContact CB-CG1 3.31Å; M341-V701 HydrophobicContact CB-CG2 4.34Å; M341-V701 HydrophobicContact CE-CG1 4.14Å; M341-V701 HydrophobicContact CG-CG1 4.48Å; M341-V701 WeakPolarHBondContact O-CG1 3.25Å; M341-V701 HydrophobicContact SD-CG2 4.47Å; M341-G705 VanDerWaalsContact CE-C 3.42Å; M341-G705 VanDerWaalsContact CE-CA 3.46Å; M341-I706 HydrophobicContact CE-CG1 3.99Å; M341-I706 HydrophobicContact SD-CD1 4.29Å; M341-I706 HydrophobicContact SD-CG1 3.86Å |
| 342 | T | 92.9 | Very high | 89.2 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 14% | 0.135 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -40.2 | -170.5 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | G356 Y358 V383 | T342-G356 PolarHBondContact N-O 2.9Å; T342-G356 PolarHBondContact OG1-O 3.4Å; T342-G356 VanDerWaalsContact OG1-O 3.13Å; T342-Y358 HydrophobicContact CG2-CD1 4.3Å; T342-Y358 HydrophobicContact CG2-CD2 3.48Å; T342-Y358 VanDerWaalsContact CG2-CD2 3.48Å; T342-Y358 HydrophobicContact CG2-CE1 3.99Å; T342-Y358 HydrophobicContact CG2-CE2 3.15Å; T342-Y358 HydrophobicContact CG2-CG 4.06Å; T342-Y358 VanDerWaalsContact CG2-CZ 3.42Å; T342-V383 WeakPolarHBondContact CB-O 3.1Å; T342-V383 PolarHBondContact OG1-O 3.46Å |
| 343 | S | 93.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 27 Ų | 27 | 8% | 0.077 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.5 | -169.5 | 63.5 | 0 | 0 | 0 | 0 | 112 | T355 G356 V386 | S343-T355 WeakPolarHBondContact O-CA 3.34Å; S343-G356 PolarHBondContact O-N 3.39Å; S343-V386 WeakPolarHBondContact OG-CG2 3.43Å; S343-V386 PolarHBondContact OG-N 3.43Å |
| 344 | L | 95.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 21.4 Ų | 21.4 | 9% | 0.089 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140 | 178.8 | -178.9 | 140.4 | 0 | 0 | 0 | 109.1 | Y346 L353 V354 T355 A688 E690 A699 V701 I706 | L344-Y346 HydrophobicContact CD2-CD2 4.2Å; L344-Y346 HydrophobicContact CD2-CE2 4.3Å; L344-L353 HydrophobicContact CD1-CD1 3.99Å; L344-L353 HydrophobicContact CD1-CD2 3.76Å; L344-L353 HydrophobicContact CD1-CG 4.14Å; L344-L353 HydrophobicContact CG-CD1 4.4Å; L344-L353 HydrophobicContact CG-CD2 3.98Å; L344-L353 HydrophobicContact CG-CG 4.16Å; L344-V354 CarbonylContact C-O 3.59Å; L344-V354 WeakPolarHBondContact CA-O 3.06Å; L344-T355 HydrophobicContact CD1-CG2 4.43Å; L344-A688 HydrophobicContact CB-CB 3.83Å; L344-E690 HydrophobicContact CD2-CB 3.48Å; L344-E690 VanDerWaalsContact CD2-CB 3.48Å; L344-E690 WeakPolarHBondContact CD2-OE2 3.3Å; L344-A699 HydrophobicContact CD1-CB 3.86Å; L344-A699 HydrophobicContact CD2-CB 4.26Å; L344-V701 HydrophobicContact CB-CG2 3.75Å; L344-V701 HydrophobicContact CD1-CG2 3.62Å; L344-V701 HydrophobicContact CG-CG2 4.31Å; L344-I706 HydrophobicContact CD1-CG2 4Å |
| 345 | A | 95.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 4% | 0.041 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V354 V386 F388 E690 | A345-V354 PolarHBondContact N-O 3.29Å; A345-V354 PolarHBondContact O-N 2.89Å; A345-V386 HydrophobicContact CB-CB 4.48Å; A345-V386 HydrophobicContact CB-CG1 3.89Å; A345-F388 HydrophobicContact CB-CD2 3.89Å; A345-F388 HydrophobicContact CB-CE2 4.37Å; A345-E690 WeakPolarHBondContact CA-OE2 3.44Å |
| 346 | Y | 93.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 142.3 | 169.2 | -89.2 | -89.2 | 0 | 0 | 0 | 110.1 | L344 L353 I367 F388 E690 A699 | L344-Y346 HydrophobicContact CD2-CD2 4.2Å; L344-Y346 HydrophobicContact CD2-CE2 4.3Å; Y346-L353 HydrophobicContact CE1-CD1 4.2Å; Y346-L353 HydrophobicContact CE2-CD1 4.14Å; Y346-I367 HydrophobicContact CD1-CD1 3.55Å; Y346-I367 HydrophobicContact CE1-CD1 3.3Å; Y346-I367 HydrophobicContact CE1-CG1 4.12Å; Y346-F388 VanDerWaalsContact C-CD2 3.49Å; Y346-F388 WeakPolarHBondContact O-CD2 3.19Å; Y346-E690 HydrophobicContact CD2-CB 4.02Å; Y346-E690 HydrophobicContact CD2-CG 4.06Å; Y346-E690 HydrophobicContact CE2-CB 4.42Å; Y346-E690 VanDerWaalsContact N-CD 3.31Å; Y346-E690 PolarHBondContact N-OE1 2.86Å; Y346-E690 PolarHBondContact N-OE2 2.67Å; Y346-A699 HydrophobicContact CE2-CB 3.61Å; Y346-A699 VanDerWaalsContact OH-CB 3.27Å; Y346-A699 WeakPolarHBondContact OH-CB 3.3Å; Y346-A699 PolarHBondContact OH-N 2.86Å |
| 347 | S | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -67.9 | 147.2 | 165.6 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | D349 G350 L351 H352 P693 | S347-D349 VanDerWaalsContact CB-OD1 3.24Å; S347-D349 WeakPolarHBondContact CB-OD1 3.48Å; S347-D349 PolarHBondContact O-N 3.2Å; S347-D349 PolarHBondContact OG-OD1 2.94Å; S347-G350 WeakPolarHBondContact O-CA 3.29Å; S347-G350 PolarHBondContact O-N 2.9Å; S347-L351 PolarHBondContact OG-N 2.96Å; S347-H352 PolarHBondContact N-O 3.28Å; S347-H352 WeakPolarHBondContact OG-CA 3.15Å; S347-H352 PolarHBondContact OG-N 3.49Å; S347-H352 PolarHBondContact OG-O 3.23Å; S347-P693 WeakPolarHBondContact O-CG 3.04Å | ||
| 348 | P | 87.2 | Confident | 90.6 | Very high | 28 Ų | 28 | 20.8 Ų | 20.8 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.3 | 179.8 | -25.7 | 32.1 | 0 | 0 | 0 | 115 | F388 P389 A390 V889 | P348-F388 HydrophobicContact CG-CB 4.36Å; P348-P389 VanDerWaalsContact CG-O 3.22Å; P348-P389 WeakPolarHBondContact CG-O 2.93Å; P348-A390 WeakPolarHBondContact CB-O 3.29Å; P348-A390 VanDerWaalsContact CG-O 3.29Å; P348-A390 WeakPolarHBondContact CG-O 3.3Å; P348-V889 WeakPolarHBondContact O-CG1 3.34Å |
| 349 | D | 82.3 | Confident | 90.9 | Very high | 30 Ų | 30 | 20.6 Ų | 20.6 | 16% | 0.16 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8 | 174.5 | 56 | 19.9 | 0 | 0 | 0 | 113.6 | S347 L351 S393 A893 | S347-D349 VanDerWaalsContact CB-OD1 3.24Å; S347-D349 WeakPolarHBondContact CB-OD1 3.48Å; S347-D349 PolarHBondContact O-N 3.2Å; S347-D349 PolarHBondContact OG-OD1 2.94Å; D349-L351 HydrophobicContact CB-CG 4.39Å; D349-L351 PolarHBondContact O-N 3.19Å; D349-L351 PolarHBondContact OD1-N 3.39Å; D349-L351 VanDerWaalsContact OD1-N 3.15Å; D349-S393 WeakPolarHBondContact OD2-CB 3.35Å; D349-S393 PolarHBondContact OD2-OG 3.07Å; D349-A893 HydrophobicContact CB-CB 4.2Å |
| 350 | G | 84.2 | Confident | 91.3 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 11% | 0.113 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 68.2 | 15.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S347 I367 | S347-G350 WeakPolarHBondContact O-CA 3.29Å; S347-G350 PolarHBondContact O-N 2.9Å; G350-I367 WeakPolarHBondContact O-CD1 3.44Å |
| 351 | L | 84.1 | Confident | 91.7 | Very high | 63 Ų | 63 | 20.2 Ų | 20.2 | 33% | 0.33 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -93.7 | -29.9 | 179.9 | -63.5 | 178.8 | 0 | 0 | 0 | 113 | S347 D349 I367 A893 | S347-L351 PolarHBondContact OG-N 2.96Å; D349-L351 HydrophobicContact CB-CG 4.39Å; D349-L351 PolarHBondContact O-N 3.19Å; D349-L351 PolarHBondContact OD1-N 3.39Å; D349-L351 VanDerWaalsContact OD1-N 3.15Å; L351-I367 PolarHBondContact O-N 2.75Å; L351-A893 HydrophobicContact CD1-CB 4.23Å; L351-A893 HydrophobicContact CG-CB 4.3Å |
| 352 | H | 90.3 | Very high | 91.9 | Very high | 47 Ų | 47 | 19.9 Ų | 19.9 | 22% | 0.218 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 152 | -178.8 | -60.3 | -64 | 0 | 0 | 0 | 111.5 | S347 V364 W365 | S347-H352 PolarHBondContact N-O 3.28Å; S347-H352 WeakPolarHBondContact OG-CA 3.15Å; S347-H352 PolarHBondContact OG-N 3.49Å; S347-H352 PolarHBondContact OG-O 3.23Å; H352-V364 HydrophobicContact CB-CG1 4.2Å; H352-W365 CarbonylContact C-O 3.59Å; H352-W365 VanDerWaalsContact CA-O 3.23Å; H352-W365 WeakPolarHBondContact CA-O 3.41Å |
| 353 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.2 | 175.6 | -176.5 | 158.7 | 0 | 0 | 0 | 107.2 | F11 L344 Y346 T355 W365 I367 A699 I706 | F11-L353 HydrophobicContact CZ-CD1 4.26Å; L344-L353 HydrophobicContact CD1-CD1 3.99Å; L344-L353 HydrophobicContact CD1-CD2 3.76Å; L344-L353 HydrophobicContact CD1-CG 4.14Å; L344-L353 HydrophobicContact CG-CD1 4.4Å; L344-L353 HydrophobicContact CG-CD2 3.98Å; L344-L353 HydrophobicContact CG-CG 4.16Å; Y346-L353 HydrophobicContact CE1-CD1 4.2Å; Y346-L353 HydrophobicContact CE2-CD1 4.14Å; L353-T355 HydrophobicContact CD2-CG2 3.63Å; L353-W365 HydrophobicContact CB-CB 4.45Å; L353-W365 PolarHBondContact N-O 2.76Å; L353-W365 WeakPolarHBondContact O-CB 3.46Å; L353-W365 PolarHBondContact O-N 3.1Å; L353-I367 HydrophobicContact CB-CD1 4.17Å; L353-I367 HydrophobicContact CB-CG1 3.96Å; L353-A699 HydrophobicContact CD1-CB 3.52Å; L353-I706 HydrophobicContact CD1-CG2 4.23Å; L353-I706 HydrophobicContact CD2-CD1 4.07Å; L353-I706 HydrophobicContact CD2-CG2 4.33Å |
| 354 | V | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.5 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L344 A345 V362 K363 V364 V386 F388 V396 | L344-V354 CarbonylContact C-O 3.59Å; L344-V354 WeakPolarHBondContact CA-O 3.06Å; A345-V354 PolarHBondContact N-O 3.29Å; A345-V354 PolarHBondContact O-N 2.89Å; V354-V362 HydrophobicContact CG1-CG1 3.37Å; V354-K363 CarbonylContact C-O 3.48Å; V354-K363 VanDerWaalsContact CA-O 3.28Å; V354-K363 WeakPolarHBondContact CA-O 3.34Å; V354-K363 WeakPolarHBondContact CG1-O 3.43Å; V354-V364 HydrophobicContact CG2-CB 4.24Å; V354-V364 HydrophobicContact CG2-CG1 4Å; V354-V364 HydrophobicContact CG2-CG2 3.94Å; V354-V386 HydrophobicContact CB-CG1 3.77Å; V354-V386 HydrophobicContact CG1-CG1 3.45Å; V354-V386 VanDerWaalsContact CG1-CG1 3.45Å; V354-V386 HydrophobicContact CG1-CG2 4.49Å; V354-F388 HydrophobicContact CB-CE2 3.94Å; V354-F388 HydrophobicContact CB-CZ 4.37Å; V354-F388 HydrophobicContact CG2-CE2 3.34Å; V354-F388 HydrophobicContact CG2-CZ 3.32Å; V354-V396 HydrophobicContact CG1-CG1 3.89Å; V354-V396 HydrophobicContact CG2-CG1 4.39Å; V354-V396 HydrophobicContact CG2-CG2 3.89Å |
| 355 | T | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.9 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | H337 M341 S343 L344 L353 V362 K363 W365 V701 I706 | H337-T355 PolarHBondContact NE2-OG1 2.89Å; M341-T355 HydrophobicContact SD-CG2 4.35Å; S343-T355 WeakPolarHBondContact O-CA 3.34Å; L344-T355 HydrophobicContact CD1-CG2 4.43Å; L353-T355 HydrophobicContact CD2-CG2 3.63Å; T355-V362 CarbonylContact O-C 3.57Å; T355-V362 WeakPolarHBondContact O-CA 3.45Å; T355-K363 PolarHBondContact N-O 3.21Å; T355-K363 PolarHBondContact O-N 3.13Å; T355-W365 PolarHBondContact OG1-NE1 3.32Å; T355-V701 HydrophobicContact CG2-CG2 4.09Å; T355-I706 HydrophobicContact CG2-CD1 3.36Å; T355-I706 HydrophobicContact CG2-CG1 3.91Å |
| 356 | G | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | M341 T342 S343 | M341-G356 WeakPolarHBondContact CA-O 3.3Å; T342-G356 PolarHBondContact N-O 2.9Å; T342-G356 PolarHBondContact OG1-O 3.4Å; T342-G356 VanDerWaalsContact OG1-O 3.13Å; S343-G356 PolarHBondContact O-N 3.39Å |
| 357 | G | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 169 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | E340 D359 N360 K361 V383 | E340-G357 WeakPolarHBondContact O-CA 3.35Å; G357-D359 PolarHBondContact O-N 3.17Å; G357-N360 PolarHBondContact O-N 3.18Å; G357-K361 PolarHBondContact N-O 2.77Å; G357-V383 PolarHBondContact O-N 3.27Å |
| 358 | Y | 91.6 | Very high | 90.2 | Very high | 58 Ų | 58 | 26 Ų | 26 | 23% | 0.227 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.4 | 172.7 | -73 | -64.4 | 0 | 0 | 0 | 113.6 | K339 E340 T342 N360 L401 | K339-Y358 WeakPolarHBondContact CD-O 3.42Å; E340-Y358 HydrophobicContact CB-CD2 4.17Å; E340-Y358 PolarHBondContact O-N 3.13Å; T342-Y358 HydrophobicContact CG2-CD1 4.3Å; T342-Y358 HydrophobicContact CG2-CD2 3.48Å; T342-Y358 VanDerWaalsContact CG2-CD2 3.48Å; T342-Y358 HydrophobicContact CG2-CE1 3.99Å; T342-Y358 HydrophobicContact CG2-CE2 3.15Å; T342-Y358 HydrophobicContact CG2-CG 4.06Å; T342-Y358 VanDerWaalsContact CG2-CZ 3.42Å; Y358-N360 PolarHBondContact O-OD1 2.84Å; Y358-L401 HydrophobicContact CE1-CD1 4.2Å |
| 359 | D | 89.9 | Confident | 89.4 | Confident | 15 Ų | 15 | 24.9 Ų | 24.9 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 9.4 | 170.5 | 67.2 | -18.8 | 0 | 0 | 0 | 113.4 | H337 S338 K339 G357 K361 | H337-D359 WeakPolarHBondContact CA-OD2 3.46Å; H337-D359 IonicContact CE1-OD1 2.84Å; H337-D359 IonicContact CG-OD2 2.77Å; H337-D359 VanDerWaalsContact ND1-CG 3.35Å; H337-D359 IonicContact ND1-OD1 3.19Å; H337-D359 PolarHBondContact ND1-OD1 3.44Å; H337-D359 IonicContact ND1-OD2 3.94Å; H337-D359 PolarHBondContact ND1-OD2 2.99Å; H337-D359 VanDerWaalsContact ND1-OD2 3.1Å; S338-D359 PolarHBondContact N-OD2 2.92Å; S338-D359 WeakPolarHBondContact OG-CB 3.06Å; K339-D359 HydrophobicContact CB-CB 4.17Å; K339-D359 HydrophobicContact CD-CB 4.5Å; K339-D359 HydrophobicContact CG-CB 4.43Å; G357-D359 PolarHBondContact O-N 3.17Å; D359-K361 PolarHBondContact O-N 2.75Å; D359-K361 PolarHBondContact OD1-N 2.85Å |
| 360 | N | 94 | Very high | 89.3 | Confident | 50 Ų | 50 | 23.6 Ų | 23.6 | 27% | 0.267 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 67.4 | 15.5 | 177.9 | -41.3 | -19.3 | 0 | 0 | 0 | 113.4 | G357 Y358 H379 T380 A381 G382 | G357-N360 PolarHBondContact O-N 3.18Å; Y358-N360 PolarHBondContact O-OD1 2.84Å; N360-H379 HydrophobicContact CB-CB 4.5Å; N360-H379 WeakPolarHBondContact CB-O 3.42Å; N360-T380 PolarHBondContact ND2-O 3.37Å; N360-A381 WeakPolarHBondContact CA-O 3.43Å; N360-A381 WeakPolarHBondContact CB-O 3.48Å; N360-A381 VanDerWaalsContact CG-C 3.43Å; N360-A381 VanDerWaalsContact OD1-CA 3.26Å; N360-A381 WeakPolarHBondContact OD1-CA 3.42Å; N360-A381 PolarHBondContact OD1-O 3.01Å; N360-G382 PolarHBondContact OD1-N 3.07Å; N360-G382 VanDerWaalsContact OD1-N 3.11Å |
| 361 | K | 94.7 | Very high | 89.3 | Confident | 56 Ų | 56 | 26.6 Ų | 26.6 | 24% | 0.243 | 12% | 0.123 | C | C | . | . | trans | -109.1 | 142.8 | -176.4 | -63.1 | -179.3 | -178.5 | 179.5 | 0 | 111 | G357 D359 T375 F376 T377 | G357-K361 PolarHBondContact N-O 2.77Å; D359-K361 PolarHBondContact O-N 2.75Å; D359-K361 PolarHBondContact OD1-N 2.85Å; K361-T375 HydrophobicContact CB-CG2 4.08Å; K361-T375 HydrophobicContact CD-CG2 3.85Å; K361-T375 HydrophobicContact CG-CG2 4.17Å; K361-F376 WeakPolarHBondContact CA-O 3.47Å; K361-T377 HydrophobicContact CD-CG2 4.41Å; K361-T377 HydrophobicContact CG-CG2 4.2Å | ||
| 362 | V | 96.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.4 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | V354 T355 T375 F376 V383 V386 V396 | V354-V362 HydrophobicContact CG1-CG1 3.37Å; T355-V362 CarbonylContact O-C 3.57Å; T355-V362 WeakPolarHBondContact O-CA 3.45Å; V362-T375 CarbonylContact O-C 3.58Å; V362-T375 WeakPolarHBondContact O-CA 3.38Å; V362-F376 HydrophobicContact CB-CB 4.22Å; V362-F376 HydrophobicContact CB-CD2 4.29Å; V362-F376 HydrophobicContact CG1-CD2 4.32Å; V362-F376 PolarHBondContact N-O 2.96Å; V362-F376 PolarHBondContact O-N 2.78Å; V362-V383 HydrophobicContact CG2-CG1 4.1Å; V362-V383 HydrophobicContact CG2-CG2 3.81Å; V362-V386 HydrophobicContact CG1-CG2 4.4Å; V362-V396 HydrophobicContact CG1-CG1 4.32Å |
| 363 | K | 95.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.2 | -178.3 | -71.6 | -177.6 | 173.6 | -89.1 | 0 | 110.4 | D335 V354 T355 W365 T375 | D335-K363 WeakPolarHBondContact O-CE 3.41Å; D335-K363 PolarHBondContact O-NZ 3.39Å; V354-K363 CarbonylContact C-O 3.48Å; V354-K363 VanDerWaalsContact CA-O 3.28Å; V354-K363 WeakPolarHBondContact CA-O 3.34Å; V354-K363 WeakPolarHBondContact CG1-O 3.43Å; T355-K363 PolarHBondContact N-O 3.21Å; T355-K363 PolarHBondContact O-N 3.13Å; K363-W365 HydrophobicContact CB-CZ2 3.8Å; K363-W365 HydrophobicContact CD-CH2 4.06Å; K363-W365 HydrophobicContact CD-CZ2 3.49Å; K363-W365 VanDerWaalsContact CD-CZ2 3.49Å; K363-W365 HydrophobicContact CG-CZ2 4.27Å; K363-T375 HydrophobicContact CG-CG2 3.9Å; K363-T375 PolarHBondContact NZ-OG1 2.93Å; K363-T375 VanDerWaalsContact NZ-OG1 3.07Å |
| 364 | V | 94.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.7 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | H352 V354 C372 V373 V374 F376 L410 | H352-V364 HydrophobicContact CB-CG1 4.2Å; V354-V364 HydrophobicContact CG2-CB 4.24Å; V354-V364 HydrophobicContact CG2-CG1 4Å; V354-V364 HydrophobicContact CG2-CG2 3.94Å; V364-C372 CarbonylContact O-C 3.59Å; V364-C372 WeakPolarHBondContact O-CA 3.44Å; V364-V373 PolarHBondContact O-N 2.83Å; V364-V374 PolarHBondContact N-O 3.18Å; V364-F376 HydrophobicContact CG2-CD2 4.4Å; V364-F376 HydrophobicContact CG2-CE2 3.82Å; V364-L410 HydrophobicContact CG1-CD2 4.32Å; V364-L410 HydrophobicContact CG2-CD2 3.74Å |
| 365 | W | 91.9 | Very high | 89.5 | Confident | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.9 | -178.6 | -52.5 | 92.1 | 0 | 0 | 0 | 110.3 | F11 G12 H352 L353 T355 K363 R371 C372 I706 | F11-W365 HydrophobicContact CD2-CB 4.16Å; F11-W365 AromaticContact CD2-CD2 4Å; F11-W365 HydrophobicContact CD2-CD2 4Å; F11-W365 AromaticContact CD2-CE3 3.98Å; F11-W365 HydrophobicContact CD2-CE3 3.98Å; F11-W365 HydrophobicContact CD2-CG 4.06Å; F11-W365 HydrophobicContact CE2-CB 3.73Å; F11-W365 HydrophobicContact CE2-CD2 4.35Å; F11-W365 AromaticContact CE2-CG 3.91Å; F11-W365 HydrophobicContact CE2-CG 3.91Å; G12-W365 VanDerWaalsContact CA-CH2 3.47Å; H352-W365 CarbonylContact C-O 3.59Å; H352-W365 VanDerWaalsContact CA-O 3.23Å; H352-W365 WeakPolarHBondContact CA-O 3.41Å; L353-W365 HydrophobicContact CB-CB 4.45Å; L353-W365 PolarHBondContact N-O 2.76Å; L353-W365 WeakPolarHBondContact O-CB 3.46Å; L353-W365 PolarHBondContact O-N 3.1Å; T355-W365 PolarHBondContact OG1-NE1 3.32Å; K363-W365 HydrophobicContact CB-CZ2 3.8Å; K363-W365 HydrophobicContact CD-CH2 4.06Å; K363-W365 HydrophobicContact CD-CZ2 3.49Å; K363-W365 VanDerWaalsContact CD-CZ2 3.49Å; K363-W365 HydrophobicContact CG-CZ2 4.27Å; W365-R371 WeakPolarHBondContact CA-O 3.25Å; W365-C372 HydrophobicContact CD2-CB 4.4Å; W365-C372 HydrophobicContact CE3-CB 3.76Å; W365-C372 HydrophobicContact CH2-CB 4.04Å; W365-C372 HydrophobicContact CZ3-CB 3.57Å; W365-I706 HydrophobicContact CD2-CD1 4.29Å; W365-I706 HydrophobicContact CG-CD1 4.21Å |
| 366 | R | 87.7 | Confident | 89.5 | Confident | 105 Ų | 105 | 29.6 Ų | 29.6 | 40% | 0.396 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.4 | 167.6 | -173 | 176 | -177.5 | 161.3 | 0.6 | 109.2 | S368 G370 R371 V373 | R366-S368 PolarHBondContact NE-OG 2.82Å; R366-G370 VanDerWaalsContact O-CA 3.29Å; R366-G370 WeakPolarHBondContact O-CA 3.3Å; R366-G370 PolarHBondContact O-N 2.79Å; R366-R371 PolarHBondContact N-O 2.86Å; R366-V373 HydrophobicContact CB-CG2 3.95Å |
| 367 | I | 83.8 | Confident | 89.6 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 17% | 0.169 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -35.6 | -174.1 | -65.8 | 149.7 | 0 | 0 | 0 | 112 | Y346 G350 L351 L353 G369 | Y346-I367 HydrophobicContact CD1-CD1 3.55Å; Y346-I367 HydrophobicContact CE1-CD1 3.3Å; Y346-I367 HydrophobicContact CE1-CG1 4.12Å; G350-I367 WeakPolarHBondContact O-CD1 3.44Å; L351-I367 PolarHBondContact O-N 2.75Å; L353-I367 HydrophobicContact CB-CD1 4.17Å; L353-I367 HydrophobicContact CB-CG1 3.96Å; I367-G369 PolarHBondContact O-N 2.97Å |
| 368 | S | 72.3 | Confident | 89.7 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.3 | -176.5 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | R366 Y718 | R366-S368 PolarHBondContact NE-OG 2.82Å; S368-Y718 VanDerWaalsContact O-CD2 3.3Å; S368-Y718 WeakPolarHBondContact O-CD2 3.33Å; S368-Y718 WeakPolarHBondContact O-CE2 3.46Å |
| 369 | G | 71.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 8.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E46 V47 I367 R371 | E46-G369 CarbonylContact C-O 3.58Å; V47-G369 WeakPolarHBondContact CA-O 3.49Å; V47-G369 VanDerWaalsContact CB-O 3.27Å; V47-G369 WeakPolarHBondContact CB-O 3.26Å; V47-G369 WeakPolarHBondContact CG2-O 3.39Å; V47-G369 PolarHBondContact N-O 3.25Å; I367-G369 PolarHBondContact O-N 2.97Å; G369-R371 PolarHBondContact O-N 3.21Å |
| 370 | G | 78.6 | Confident | 90.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | 60.8 | 5.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R366 | R366-G370 VanDerWaalsContact O-CA 3.29Å; R366-G370 WeakPolarHBondContact O-CA 3.3Å; R366-G370 PolarHBondContact O-N 2.79Å | ||
| 371 | R | 84.3 | Confident | 90.2 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 28% | 0.279 | 21% | 0.208 | S | C | . | . | trans | -82.8 | 140.7 | -176.6 | -170.3 | 167.6 | 171.4 | 129 | -7.9 | 111.7 | D45 W365 R366 G369 V373 | D45-R371 VanDerWaalsContact CG-CD 3.4Å; D45-R371 WeakPolarHBondContact OD1-CD 3.39Å; D45-R371 IonicContact OD1-CZ 2.75Å; D45-R371 IonicContact OD1-NE 2.64Å; D45-R371 PolarHBondContact OD1-NE 3.47Å; D45-R371 IonicContact OD1-NH1 3.61Å; D45-R371 PolarHBondContact OD1-NH1 2.91Å; D45-R371 VanDerWaalsContact OD2-CD 3.25Å; D45-R371 WeakPolarHBondContact OD2-CD 3.47Å; D45-R371 IonicContact OD2-CZ 3.55Å; D45-R371 IonicContact OD2-NE 3.23Å; D45-R371 PolarHBondContact OD2-NE 2.73Å; D45-R371 IonicContact OD2-NH1 3.32Å; W365-R371 WeakPolarHBondContact CA-O 3.25Å; R366-R371 PolarHBondContact N-O 2.86Å; G369-R371 PolarHBondContact O-N 3.21Å; R371-V373 PolarHBondContact O-N 3.24Å | ||
| 372 | C | 90.7 | Very high | 90.1 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.9 | 169.3 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | V364 W365 V374 T375 | V364-C372 CarbonylContact O-C 3.59Å; V364-C372 WeakPolarHBondContact O-CA 3.44Å; W365-C372 HydrophobicContact CD2-CB 4.4Å; W365-C372 HydrophobicContact CE3-CB 3.76Å; W365-C372 HydrophobicContact CH2-CB 4.04Å; W365-C372 HydrophobicContact CZ3-CB 3.57Å; C372-V374 PolarHBondContact SG-O 3.46Å; C372-T375 PolarHBondContact SG-OG1 3Å |
| 373 | V | 90.1 | Very high | 90.1 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 38% | 0.376 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -50.8 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | V364 R366 R371 | V364-V373 PolarHBondContact O-N 2.83Å; R366-V373 HydrophobicContact CB-CG2 3.95Å; R371-V373 PolarHBondContact O-N 3.24Å |
| 374 | V | 93.4 | Very high | 90.1 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.9 | -178.1 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V364 C372 F376 Y413 | V364-V374 PolarHBondContact N-O 3.18Å; C372-V374 PolarHBondContact SG-O 3.46Å; V374-F376 HydrophobicContact CG1-CD1 4.1Å; V374-F376 HydrophobicContact CG1-CD2 4.36Å; V374-F376 HydrophobicContact CG1-CE1 3.75Å; V374-F376 HydrophobicContact CG1-CE2 4.05Å; V374-F376 HydrophobicContact CG1-CG 4.38Å; V374-F376 HydrophobicContact CG1-CZ 3.73Å; V374-Y413 HydrophobicContact CB-CD1 4.08Å; V374-Y413 HydrophobicContact CB-CE1 4.23Å; V374-Y413 HydrophobicContact CG1-CD1 4.14Å; V374-Y413 HydrophobicContact CG2-CD1 3.34Å; V374-Y413 HydrophobicContact CG2-CD2 4.21Å; V374-Y413 HydrophobicContact CG2-CE1 3.3Å; V374-Y413 HydrophobicContact CG2-CE2 4.19Å; V374-Y413 HydrophobicContact CG2-CG 3.78Å |
| 375 | T | 94.7 | Very high | 90.1 | Very high | 45 Ų | 45 | 37.5 Ų | 37.5 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.2 | 170.3 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | K361 V362 K363 C372 T377 | K361-T375 HydrophobicContact CB-CG2 4.08Å; K361-T375 HydrophobicContact CD-CG2 3.85Å; K361-T375 HydrophobicContact CG-CG2 4.17Å; V362-T375 CarbonylContact O-C 3.58Å; V362-T375 WeakPolarHBondContact O-CA 3.38Å; K363-T375 HydrophobicContact CG-CG2 3.9Å; K363-T375 PolarHBondContact NZ-OG1 2.93Å; K363-T375 VanDerWaalsContact NZ-OG1 3.07Å; C372-T375 PolarHBondContact SG-OG1 3Å; T375-T377 HydrophobicContact CG2-CG2 3.99Å |
| 376 | F | 96.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.5 | 171.4 | -57.3 | -72.2 | 0 | 0 | 0 | 109.7 | K361 V362 V364 V374 H408 L410 Y413 | K361-F376 WeakPolarHBondContact CA-O 3.47Å; V362-F376 HydrophobicContact CB-CB 4.22Å; V362-F376 HydrophobicContact CB-CD2 4.29Å; V362-F376 HydrophobicContact CG1-CD2 4.32Å; V362-F376 PolarHBondContact N-O 2.96Å; V362-F376 PolarHBondContact O-N 2.78Å; V364-F376 HydrophobicContact CG2-CD2 4.4Å; V364-F376 HydrophobicContact CG2-CE2 3.82Å; V374-F376 HydrophobicContact CG1-CD1 4.1Å; V374-F376 HydrophobicContact CG1-CD2 4.36Å; V374-F376 HydrophobicContact CG1-CE1 3.75Å; V374-F376 HydrophobicContact CG1-CE2 4.05Å; V374-F376 HydrophobicContact CG1-CG 4.38Å; V374-F376 HydrophobicContact CG1-CZ 3.73Å; F376-H408 HydrophobicContact CD1-CB 4.5Å; F376-H408 AromaticContact CD1-ND1 3.78Å; F376-H408 HydrophobicContact CD2-CB 4.28Å; F376-H408 HydrophobicContact CE1-CB 4.1Å; F376-H408 HydrophobicContact CE2-CB 3.85Å; F376-H408 AromaticContact CG-ND1 3.91Å; F376-H408 HydrophobicContact CZ-CB 3.75Å; F376-L410 HydrophobicContact CE2-CD2 4.07Å; F376-L410 HydrophobicContact CZ-CD2 4.1Å; F376-Y413 HydrophobicContact CZ-CD1 4.48Å |
| 377 | T | 95.7 | Very high | 90.7 | Very high | 96 Ų | 96 | 33.2 Ų | 33.2 | 59% | 0.589 | 20% | 0.198 | S | C | * | . | trans | -116.2 | 25.8 | -176.1 | 61 | 0 | 0 | 0 | 0 | 112.4 | K361 T375 | K361-T377 HydrophobicContact CD-CG2 4.41Å; K361-T377 HydrophobicContact CG-CG2 4.2Å; T375-T377 HydrophobicContact CG2-CG2 3.99Å | ||
| 378 | E | 95 | Very high | 91.1 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | trans | -82 | -22.6 | -174 | -61.1 | -175.6 | -178.2 | 0 | 0 | 113.6 | R406 H408 N415 | E378-R406 PolarHBondContact O-NH1 3.29Å; E378-R406 PolarHBondContact O-NH2 3.49Å; E378-R406 IonicContact OE2-NE 3.99Å; E378-H408 IonicContact OE2-CE1 2.85Å; E378-N415 WeakPolarHBondContact OE1-CB 3.33Å; E378-N415 PolarHBondContact OE1-N 3.32Å; E378-N415 WeakPolarHBondContact OE2-CB 3.42Å; E378-N415 VanDerWaalsContact OE2-CG 3.27Å; E378-N415 PolarHBondContact OE2-ND2 3.09Å | ||
| 379 | H | 96.1 | Very high | 92 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -71.5 | 141.3 | 175.5 | -77.5 | -74.7 | 0 | 0 | 0 | 111.2 | N360 V383 S398 S400 D402 T404 R406 | N360-H379 HydrophobicContact CB-CB 4.5Å; N360-H379 WeakPolarHBondContact CB-O 3.42Å; H379-V383 HydrophobicContact CB-CG2 4.24Å; H379-S398 PolarHBondContact NE2-OG 2.89Å; H379-S400 WeakPolarHBondContact CE1-CB 3.19Å; H379-S400 WeakPolarHBondContact ND1-CB 3.11Å; H379-S400 PolarHBondContact ND1-OG 3.25Å; H379-D402 WeakPolarHBondContact CA-OD2 3.3Å; H379-D402 IonicContact CE1-OD1 3.36Å; H379-D402 IonicContact CE1-OD2 3.88Å; H379-D402 IonicContact CG-OD2 2.71Å; H379-D402 IonicContact ND1-OD1 3.3Å; H379-D402 PolarHBondContact ND1-OD1 2.88Å; H379-D402 IonicContact ND1-OD2 2.95Å; H379-D402 PolarHBondContact ND1-OD2 2.81Å; H379-T404 PolarHBondContact CE1-OG1 2.88Å; H379-R406 VanDerWaalsContact CA-NH1 3.3Å; H379-R406 PolarHBondContact CE1-NH1 3.24Å; H379-R406 VanDerWaalsContact CE1-NH1 3.27Å; H379-R406 VanDerWaalsContact CG-NH1 3.27Å; H379-R406 PolarHBondContact ND1-NH1 3.23Å | ||
| 380 | T | 95.8 | Very high | 92.4 | Very high | 107 Ų | 107 | 34.2 Ų | 34.2 | 66% | 0.656 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -100.2 | -10.9 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 113 | N360 D402 | N360-T380 PolarHBondContact ND2-O 3.37Å; T380-D402 PolarHBondContact N-OD2 2.96Å; T380-D402 VanDerWaalsContact OG1-CB 3.22Å; T380-D402 WeakPolarHBondContact OG1-CB 3.18Å |
| 381 | A | 93.9 | Very high | 92.4 | Very high | 28 Ų | 28 | 41 Ų | 41 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -137.1 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N360 V383 S400 L401 D402 | N360-A381 WeakPolarHBondContact CA-O 3.43Å; N360-A381 WeakPolarHBondContact CB-O 3.48Å; N360-A381 VanDerWaalsContact CG-C 3.43Å; N360-A381 VanDerWaalsContact OD1-CA 3.26Å; N360-A381 WeakPolarHBondContact OD1-CA 3.42Å; N360-A381 PolarHBondContact OD1-O 3.01Å; A381-V383 PolarHBondContact O-N 3.04Å; A381-S400 PolarHBondContact O-OG 3.2Å; A381-L401 HydrophobicContact CB-CB 4.06Å; A381-D402 HydrophobicContact CB-CB 3.95Å |
| 382 | G | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | trans | -57.4 | 137.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N360 S400 L401 | N360-G382 PolarHBondContact OD1-N 3.07Å; N360-G382 VanDerWaalsContact OD1-N 3.11Å; G382-S400 VanDerWaalsContact O-CA 3.3Å; G382-S400 WeakPolarHBondContact O-CA 3.44Å; G382-S400 WeakPolarHBondContact O-CB 3.42Å; G382-S400 PolarHBondContact O-OG 2.92Å; G382-L401 PolarHBondContact O-N 3.5Å | ||
| 383 | V | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.9 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | T342 G357 V362 H379 A381 V386 A399 | T342-V383 WeakPolarHBondContact CB-O 3.1Å; T342-V383 PolarHBondContact OG1-O 3.46Å; G357-V383 PolarHBondContact O-N 3.27Å; V362-V383 HydrophobicContact CG2-CG1 4.1Å; V362-V383 HydrophobicContact CG2-CG2 3.81Å; H379-V383 HydrophobicContact CB-CG2 4.24Å; A381-V383 PolarHBondContact O-N 3.04Å; V383-V386 HydrophobicContact CG1-CG2 3.9Å; V383-A399 CarbonylContact C-O 3.49Å; V383-A399 WeakPolarHBondContact CA-O 3.4Å; V383-A399 WeakPolarHBondContact CG1-O 3.39Å |
| 384 | T | 94.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -31.4 | -174.9 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | A399 L401 F428 S429 | T384-A399 PolarHBondContact N-O 2.9Å; T384-A399 PolarHBondContact OG1-O 2.95Å; T384-L401 HydrophobicContact CG2-CD1 4.4Å; T384-L401 HydrophobicContact CG2-CD2 3.63Å; T384-L401 HydrophobicContact CG2-CG 3.67Å; T384-F428 WeakPolarHBondContact CB-O 3.06Å; T384-F428 WeakPolarHBondContact CG2-O 3.49Å; T384-F428 PolarHBondContact OG1-O 2.75Å; T384-S429 WeakPolarHBondContact CB-O 3.22Å |
| 385 | G | 94.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 145.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S398 A399 | G385-S398 CarbonylContact O-C 3.56Å; G385-S398 WeakPolarHBondContact O-CA 3.1Å; G385-A399 PolarHBondContact N-O 2.83Å; G385-A399 PolarHBondContact O-N 3.1Å |
| 386 | V | 96.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.2 | 174 | 172.5 | 0 | 0 | 0 | 0 | 107.5 | S343 A345 V354 V362 V383 V396 L397 | S343-V386 WeakPolarHBondContact OG-CG2 3.43Å; S343-V386 PolarHBondContact OG-N 3.43Å; A345-V386 HydrophobicContact CB-CB 4.48Å; A345-V386 HydrophobicContact CB-CG1 3.89Å; V354-V386 HydrophobicContact CB-CG1 3.77Å; V354-V386 HydrophobicContact CG1-CG1 3.45Å; V354-V386 VanDerWaalsContact CG1-CG1 3.45Å; V354-V386 HydrophobicContact CG1-CG2 4.49Å; V362-V386 HydrophobicContact CG1-CG2 4.4Å; V383-V386 HydrophobicContact CG1-CG2 3.9Å; V386-V396 HydrophobicContact CG1-CG1 4.17Å; V386-L397 CarbonylContact C-O 3.53Å; V386-L397 VanDerWaalsContact CA-O 3.3Å; V386-L397 WeakPolarHBondContact CA-O 3.47Å |
| 387 | A | 95.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 150.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L397 L431 V433 | A387-L397 PolarHBondContact N-O 3.19Å; A387-L397 PolarHBondContact O-N 2.94Å; A387-L431 HydrophobicContact CB-CD2 3.9Å; A387-L431 HydrophobicContact CB-CG 4.3Å; A387-V433 HydrophobicContact CB-CB 4.44Å; A387-V433 HydrophobicContact CB-CG2 3.57Å |
| 388 | F | 93.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | trans | -104.1 | 145.2 | 165.9 | -80.2 | -86.7 | 0 | 0 | 0 | 110.4 | A345 Y346 P348 V354 V395 V396 L410 | A345-F388 HydrophobicContact CB-CD2 3.89Å; A345-F388 HydrophobicContact CB-CE2 4.37Å; Y346-F388 VanDerWaalsContact C-CD2 3.49Å; Y346-F388 WeakPolarHBondContact O-CD2 3.19Å; P348-F388 HydrophobicContact CG-CB 4.36Å; V354-F388 HydrophobicContact CB-CE2 3.94Å; V354-F388 HydrophobicContact CB-CZ 4.37Å; V354-F388 HydrophobicContact CG2-CE2 3.34Å; V354-F388 HydrophobicContact CG2-CZ 3.32Å; F388-V395 WeakPolarHBondContact CD1-O 3.33Å; F388-V396 HydrophobicContact CD1-CG2 4.14Å; F388-V396 HydrophobicContact CE1-CG2 3.4Å; F388-V396 VanDerWaalsContact CE1-CG2 3.4Å; F388-V396 HydrophobicContact CE2-CG2 4.32Å; F388-V396 HydrophobicContact CZ-CG2 3.52Å; F388-L410 HydrophobicContact CE1-CD1 3.8Å; F388-L410 HydrophobicContact CZ-CD1 4.18Å | ||
| 389 | P | 90.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -71.7 | 134.7 | 163.9 | 30.3 | -30.5 | 0 | 0 | 0 | 109.8 | P348 Q391 N392 V395 V433 | P348-P389 VanDerWaalsContact CG-O 3.22Å; P348-P389 WeakPolarHBondContact CG-O 2.93Å; P389-Q391 PolarHBondContact O-N 2.85Å; P389-Q391 VanDerWaalsContact O-N 3.1Å; P389-N392 HydrophobicContact CG-CB 3.98Å; P389-N392 WeakPolarHBondContact CG-O 3.48Å; P389-N392 PolarHBondContact O-N 3.46Å; P389-N392 VanDerWaalsContact O-N 3.11Å; P389-V395 WeakPolarHBondContact CD-O 3.48Å; P389-V395 HydrophobicContact CG-CB 4.13Å; P389-V433 HydrophobicContact CB-CG1 3.99Å | ||
| 390 | A | 81.4 | Confident | 92.3 | Very high | 61 Ų | 61 | 31.5 Ų | 31.5 | 50% | 0.504 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | P348 | P348-A390 WeakPolarHBondContact CB-O 3.29Å; P348-A390 VanDerWaalsContact CG-O 3.29Å; P348-A390 WeakPolarHBondContact CG-O 3.3Å |
| 391 | Q | 78 | Confident | 92.3 | Very high | 147 Ų | 147 | 28.6 Ų | 28.6 | 69% | 0.687 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -17.3 | -179.2 | -67.7 | -178.6 | -0.1 | 0 | 0 | 114.5 | P389 T435 | P389-Q391 PolarHBondContact O-N 2.85Å; P389-Q391 VanDerWaalsContact O-N 3.1Å; Q391-T435 PolarHBondContact N-O 2.94Å |
| 392 | N | 83.6 | Confident | 92.3 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 35% | 0.348 | 16% | 0.161 | S | C | . | . | trans | -129.6 | 97.9 | -168.4 | -173.4 | 4.3 | 0 | 0 | 0 | 112.1 | P389 K394 | P389-N392 HydrophobicContact CG-CB 3.98Å; P389-N392 WeakPolarHBondContact CG-O 3.48Å; P389-N392 PolarHBondContact O-N 3.46Å; P389-N392 VanDerWaalsContact O-N 3.11Å; N392-K394 PolarHBondContact O-N 3.05Å; N392-K394 VanDerWaalsContact O-N 3.08Å; N392-K394 VanDerWaalsContact OD1-CB 3.26Å; N392-K394 WeakPolarHBondContact OD1-CB 3.33Å; N392-K394 PolarHBondContact OD1-N 3.21Å | ||
| 393 | S | 84.9 | Confident | 92.4 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 22% | 0.217 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 0 | 177 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | D349 L410 | D349-S393 WeakPolarHBondContact OD2-CB 3.35Å; D349-S393 PolarHBondContact OD2-OG 3.07Å; S393-L410 WeakPolarHBondContact O-CD1 3.23Å |
| 394 | K | 89.6 | Confident | 92.3 | Very high | 108 Ų | 108 | 29.7 Ų | 29.7 | 47% | 0.47 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -7.9 | -177.5 | -59.4 | 160.3 | 167.7 | -170.9 | 0 | 113.7 | N392 L410 I411 | N392-K394 PolarHBondContact O-N 3.05Å; N392-K394 VanDerWaalsContact O-N 3.08Å; N392-K394 VanDerWaalsContact OD1-CB 3.26Å; N392-K394 WeakPolarHBondContact OD1-CB 3.33Å; N392-K394 PolarHBondContact OD1-N 3.21Å; K394-L410 WeakPolarHBondContact O-CB 3.44Å; K394-L410 PolarHBondContact O-N 2.87Å; K394-I411 HydrophobicContact CB-CD1 4.46Å; K394-I411 HydrophobicContact CB-CG1 4.41Å; K394-I411 HydrophobicContact CD-CD1 3.6Å; K394-I411 HydrophobicContact CD-CG1 4.24Å; K394-I411 HydrophobicContact CG-CD1 4.13Å; K394-I411 HydrophobicContact CG-CG1 4.23Å |
| 395 | V | 93.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.3 | -177.1 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | F388 P389 L397 H408 F416 | F388-V395 WeakPolarHBondContact CD1-O 3.33Å; P389-V395 WeakPolarHBondContact CD-O 3.48Å; P389-V395 HydrophobicContact CG-CB 4.13Å; V395-L397 HydrophobicContact CG1-CG 4.49Å; V395-H408 WeakPolarHBondContact CA-O 3.14Å; V395-F416 HydrophobicContact CG1-CE1 3.97Å; V395-F416 HydrophobicContact CG1-CZ 4.06Å; V395-F416 HydrophobicContact CG2-CE1 4.36Å; V395-F416 HydrophobicContact CG2-CZ 4.45Å |
| 396 | V | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.5 | 174.5 | 173 | 0 | 0 | 0 | 0 | 108.7 | V354 V362 V386 F388 A407 H408 L410 | V354-V396 HydrophobicContact CG1-CG1 3.89Å; V354-V396 HydrophobicContact CG2-CG1 4.39Å; V354-V396 HydrophobicContact CG2-CG2 3.89Å; V362-V396 HydrophobicContact CG1-CG1 4.32Å; V386-V396 HydrophobicContact CG1-CG1 4.17Å; F388-V396 HydrophobicContact CD1-CG2 4.14Å; F388-V396 HydrophobicContact CE1-CG2 3.4Å; F388-V396 VanDerWaalsContact CE1-CG2 3.4Å; F388-V396 HydrophobicContact CE2-CG2 4.32Å; F388-V396 HydrophobicContact CZ-CG2 3.52Å; V396-A407 CarbonylContact O-C 3.53Å; V396-A407 WeakPolarHBondContact O-CA 3.01Å; V396-H408 HydrophobicContact CB-CB 4.34Å; V396-H408 PolarHBondContact N-O 3.48Å; V396-H408 PolarHBondContact O-N 2.95Å; V396-L410 HydrophobicContact CG2-CD1 3.67Å; V396-L410 HydrophobicContact CG2-CD2 3.86Å; V396-L410 HydrophobicContact CG2-CG 3.83Å |
| 397 | L | 96.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.2 | 173.9 | -71.6 | 157.1 | 0 | 0 | 0 | 109.6 | V386 A387 V395 R406 A407 F419 L431 V433 V440 | V386-L397 CarbonylContact C-O 3.53Å; V386-L397 VanDerWaalsContact CA-O 3.3Å; V386-L397 WeakPolarHBondContact CA-O 3.47Å; A387-L397 PolarHBondContact N-O 3.19Å; A387-L397 PolarHBondContact O-N 2.94Å; V395-L397 HydrophobicContact CG1-CG 4.49Å; L397-R406 CarbonylContact C-O 3.56Å; L397-R406 WeakPolarHBondContact CA-O 3.32Å; L397-A407 HydrophobicContact CD2-CB 3.39Å; L397-A407 HydrophobicContact CG-CB 4.4Å; L397-F419 HydrophobicContact CD2-CE2 3.84Å; L397-L431 HydrophobicContact CB-CD2 4.01Å; L397-L431 WeakPolarHBondContact O-CD2 3.15Å; L397-V433 HydrophobicContact CB-CG2 4.26Å; L397-V433 HydrophobicContact CD1-CB 4.26Å; L397-V433 HydrophobicContact CD1-CG1 3.75Å; L397-V433 HydrophobicContact CD1-CG2 3.4Å; L397-V433 HydrophobicContact CG-CG2 4.46Å; L397-V440 HydrophobicContact CD1-CG2 3.5Å; L397-V440 VanDerWaalsContact CD1-CG2 3.5Å; L397-V440 HydrophobicContact CD2-CG2 4.04Å; L397-V440 HydrophobicContact CG-CG2 4.41Å |
| 398 | S | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | H379 G385 V405 R406 H408 | H379-S398 PolarHBondContact NE2-OG 2.89Å; G385-S398 CarbonylContact O-C 3.56Å; G385-S398 WeakPolarHBondContact O-CA 3.1Å; S398-V405 CarbonylContact O-C 3.5Å; S398-V405 VanDerWaalsContact O-CA 3.25Å; S398-V405 WeakPolarHBondContact O-CA 3.35Å; S398-R406 PolarHBondContact N-O 3.04Å; S398-R406 PolarHBondContact O-N 3.15Å; S398-H408 PolarHBondContact OG-NE2 3.41Å |
| 399 | A | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 148 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V383 T384 G385 V405 F428 L431 | V383-A399 CarbonylContact C-O 3.49Å; V383-A399 WeakPolarHBondContact CA-O 3.4Å; V383-A399 WeakPolarHBondContact CG1-O 3.39Å; T384-A399 PolarHBondContact N-O 2.9Å; T384-A399 PolarHBondContact OG1-O 2.95Å; G385-A399 PolarHBondContact N-O 2.83Å; G385-A399 PolarHBondContact O-N 3.1Å; A399-V405 HydrophobicContact CB-CG2 4.06Å; A399-F428 HydrophobicContact CB-CB 4.12Å; A399-L431 HydrophobicContact CB-CB 3.89Å; A399-L431 HydrophobicContact CB-CD1 4.24Å; A399-L431 HydrophobicContact CB-CD2 4.45Å; A399-L431 HydrophobicContact CB-CG 4.42Å |
| 400 | S | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 160.3 | -176 | 173.1 | 0 | 0 | 0 | 0 | 112.9 | H379 A381 G382 D402 G403 T404 F428 | H379-S400 WeakPolarHBondContact CE1-CB 3.19Å; H379-S400 WeakPolarHBondContact ND1-CB 3.11Å; H379-S400 PolarHBondContact ND1-OG 3.25Å; A381-S400 PolarHBondContact O-OG 3.2Å; G382-S400 VanDerWaalsContact O-CA 3.3Å; G382-S400 WeakPolarHBondContact O-CA 3.44Å; G382-S400 WeakPolarHBondContact O-CB 3.42Å; G382-S400 PolarHBondContact O-OG 2.92Å; S400-D402 VanDerWaalsContact CB-OD1 3.29Å; S400-D402 WeakPolarHBondContact CB-OD1 3.41Å; S400-D402 PolarHBondContact O-N 2.91Å; S400-D402 PolarHBondContact OG-N 3.45Å; S400-D402 VanDerWaalsContact OG-N 3.15Å; S400-D402 PolarHBondContact OG-OD1 3.49Å; S400-G403 PolarHBondContact O-N 2.94Å; S400-T404 PolarHBondContact N-O 2.99Å; S400-F428 PolarHBondContact O-N 2.71Å |
| 401 | L | 94.5 | Very high | 93.1 | Very high | 46 Ų | 46 | 31.4 Ų | 31.4 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.3 | 170 | -58.5 | 177.9 | 0 | 0 | 0 | 113.3 | Y358 A381 G382 T384 G403 Q427 | Y358-L401 HydrophobicContact CE1-CD1 4.2Å; A381-L401 HydrophobicContact CB-CB 4.06Å; G382-L401 PolarHBondContact O-N 3.5Å; T384-L401 HydrophobicContact CG2-CD1 4.4Å; T384-L401 HydrophobicContact CG2-CD2 3.63Å; T384-L401 HydrophobicContact CG2-CG 3.67Å; L401-G403 PolarHBondContact O-N 3.24Å; L401-Q427 HydrophobicContact CD2-CB 4.04Å; L401-Q427 WeakPolarHBondContact O-CG 3.47Å |
| 402 | D | 94.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.2 | 172.3 | 68.2 | 7 | 0 | 0 | 0 | 113.1 | H379 T380 A381 S400 T404 R406 | H379-D402 WeakPolarHBondContact CA-OD2 3.3Å; H379-D402 IonicContact CE1-OD1 3.36Å; H379-D402 IonicContact CE1-OD2 3.88Å; H379-D402 IonicContact CG-OD2 2.71Å; H379-D402 IonicContact ND1-OD1 3.3Å; H379-D402 PolarHBondContact ND1-OD1 2.88Å; H379-D402 IonicContact ND1-OD2 2.95Å; H379-D402 PolarHBondContact ND1-OD2 2.81Å; T380-D402 PolarHBondContact N-OD2 2.96Å; T380-D402 VanDerWaalsContact OG1-CB 3.22Å; T380-D402 WeakPolarHBondContact OG1-CB 3.18Å; A381-D402 HydrophobicContact CB-CB 3.95Å; S400-D402 VanDerWaalsContact CB-OD1 3.29Å; S400-D402 WeakPolarHBondContact CB-OD1 3.41Å; S400-D402 PolarHBondContact O-N 2.91Å; S400-D402 PolarHBondContact OG-N 3.45Å; S400-D402 VanDerWaalsContact OG-N 3.15Å; S400-D402 PolarHBondContact OG-OD1 3.49Å; D402-T404 VanDerWaalsContact CG-OG1 3.31Å; D402-T404 WeakPolarHBondContact OD1-CB 3.36Å; D402-T404 PolarHBondContact OD1-N 3.03Å; D402-T404 PolarHBondContact OD1-OG1 2.9Å; D402-T404 PolarHBondContact OD2-OG1 3.03Å; D402-R406 IonicContact OD1-NH1 2.54Å; D402-R406 IonicContact OD2-CZ 2.84Å; D402-R406 IonicContact OD2-NH1 3.47Å; D402-R406 PolarHBondContact OD2-NH1 3.46Å; D402-R406 IonicContact OD2-NH2 3.12Å |
| 403 | G | 93.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 35 Ų | 35 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 79.9 | 27.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S400 L401 I426 F428 | S400-G403 PolarHBondContact O-N 2.94Å; L401-G403 PolarHBondContact O-N 3.24Å; G403-I426 WeakPolarHBondContact CA-O 3.46Å; G403-F428 VanDerWaalsContact C-CE2 3.43Å; G403-F428 WeakPolarHBondContact O-CE2 3.24Å |
| 404 | T | 96 | Very high | 94.8 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | trans | -123.3 | 147.5 | 172.3 | 71 | 0 | 0 | 0 | 0 | 110.9 | H379 S400 D402 R406 T418 T420 | H379-T404 PolarHBondContact CE1-OG1 2.88Å; S400-T404 PolarHBondContact N-O 2.99Å; D402-T404 VanDerWaalsContact CG-OG1 3.31Å; D402-T404 WeakPolarHBondContact OD1-CB 3.36Å; D402-T404 PolarHBondContact OD1-N 3.03Å; D402-T404 PolarHBondContact OD1-OG1 2.9Å; D402-T404 PolarHBondContact OD2-OG1 3.03Å; T404-R406 PolarHBondContact OG1-NH1 2.62Å; T404-T418 HydrophobicContact CG2-CG2 4.07Å; T404-T420 HydrophobicContact CG2-CG2 3.95Å | ||
| 405 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126 | 160.4 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | S398 A399 T418 F419 F428 L431 V440 A442 W453 | S398-V405 CarbonylContact O-C 3.5Å; S398-V405 VanDerWaalsContact O-CA 3.25Å; S398-V405 WeakPolarHBondContact O-CA 3.35Å; A399-V405 HydrophobicContact CB-CG2 4.06Å; V405-T418 CarbonylContact O-C 3.47Å; V405-T418 WeakPolarHBondContact O-CA 3.35Å; V405-F419 HydrophobicContact CB-CB 4.16Å; V405-F419 HydrophobicContact CB-CD2 3.94Å; V405-F419 HydrophobicContact CG1-CD2 3.93Å; V405-F419 PolarHBondContact N-O 3.43Å; V405-F419 VanDerWaalsContact O-CD2 3.32Å; V405-F419 WeakPolarHBondContact O-CD2 3.29Å; V405-F419 PolarHBondContact O-N 3.07Å; V405-F428 HydrophobicContact CG2-CD2 3.77Å; V405-F428 HydrophobicContact CG2-CE2 3.93Å; V405-F428 HydrophobicContact CG2-CG 4.29Å; V405-L431 HydrophobicContact CG1-CD1 3.67Å; V405-V440 HydrophobicContact CG1-CG1 4.09Å; V405-A442 HydrophobicContact CG2-CB 3.79Å; V405-W453 HydrophobicContact CG2-CH2 4.27Å; V405-W453 HydrophobicContact CG2-CZ3 4.2Å |
| 406 | R | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.8 | -177.3 | -69.1 | -174.9 | 165.5 | 94.8 | -2.9 | 110.8 | E378 H379 L397 S398 D402 T404 N415 R417 T418 | E378-R406 PolarHBondContact O-NH1 3.29Å; E378-R406 PolarHBondContact O-NH2 3.49Å; E378-R406 IonicContact OE2-NE 3.99Å; H379-R406 VanDerWaalsContact CA-NH1 3.3Å; H379-R406 PolarHBondContact CE1-NH1 3.24Å; H379-R406 VanDerWaalsContact CE1-NH1 3.27Å; H379-R406 VanDerWaalsContact CG-NH1 3.27Å; H379-R406 PolarHBondContact ND1-NH1 3.23Å; L397-R406 CarbonylContact C-O 3.56Å; L397-R406 WeakPolarHBondContact CA-O 3.32Å; S398-R406 PolarHBondContact N-O 3.04Å; S398-R406 PolarHBondContact O-N 3.15Å; D402-R406 IonicContact OD1-NH1 2.54Å; D402-R406 IonicContact OD2-CZ 2.84Å; D402-R406 IonicContact OD2-NH1 3.47Å; D402-R406 PolarHBondContact OD2-NH1 3.46Å; D402-R406 IonicContact OD2-NH2 3.12Å; T404-R406 PolarHBondContact OG1-NH1 2.62Å; R406-N415 WeakPolarHBondContact CD-ND2 3.34Å; R406-N415 VanDerWaalsContact CG-ND2 3.29Å; R406-N415 WeakPolarHBondContact CG-ND2 3.29Å; R406-R417 CarbonylContact C-O 3.56Å; R406-R417 WeakPolarHBondContact CA-O 3.27Å; R406-T418 HydrophobicContact CG-CG2 4.15Å |
| 407 | A | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V396 L397 N415 F416 R417 F419 | V396-A407 CarbonylContact O-C 3.53Å; V396-A407 WeakPolarHBondContact O-CA 3.01Å; L397-A407 HydrophobicContact CD2-CB 3.39Å; L397-A407 HydrophobicContact CG-CB 4.4Å; A407-N415 CarbonylContact O-C 3.58Å; A407-N415 VanDerWaalsContact O-CA 3.3Å; A407-N415 WeakPolarHBondContact O-CA 3.27Å; A407-N415 PolarHBondContact O-OD1 2.85Å; A407-F416 HydrophobicContact CB-CD1 4.12Å; A407-F416 HydrophobicContact CB-CE1 3.46Å; A407-F416 VanDerWaalsContact CB-CE1 3.46Å; A407-F416 HydrophobicContact CB-CE2 4.29Å; A407-F416 HydrophobicContact CB-CZ 3.55Å; A407-F416 WeakPolarHBondContact O-CD1 3.33Å; A407-F416 PolarHBondContact O-N 3.41Å; A407-R417 HydrophobicContact CB-CB 3.93Å; A407-R417 PolarHBondContact N-O 2.8Å; A407-F419 HydrophobicContact CB-CE2 4.19Å |
| 408 | H | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.5 | -176.9 | -56.1 | -72.7 | 0 | 0 | 0 | 110.5 | F376 E378 V395 V396 S398 | F376-H408 HydrophobicContact CD1-CB 4.5Å; F376-H408 AromaticContact CD1-ND1 3.78Å; F376-H408 HydrophobicContact CD2-CB 4.28Å; F376-H408 HydrophobicContact CE1-CB 4.1Å; F376-H408 HydrophobicContact CE2-CB 3.85Å; F376-H408 AromaticContact CG-ND1 3.91Å; F376-H408 HydrophobicContact CZ-CB 3.75Å; E378-H408 IonicContact OE2-CE1 2.85Å; V395-H408 WeakPolarHBondContact CA-O 3.14Å; V396-H408 HydrophobicContact CB-CB 4.34Å; V396-H408 PolarHBondContact N-O 3.48Å; V396-H408 PolarHBondContact O-N 2.95Å; S398-H408 PolarHBondContact OG-NE2 3.41Å |
| 409 | D | 94.1 | Very high | 95 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.9 | 172 | 178.6 | 7.7 | 0 | 0 | 0 | 109.5 | I411 Y413 R414 F416 | D409-I411 VanDerWaalsContact C-N 3.34Å; D409-I411 PolarHBondContact OD1-N 3.22Å; D409-Y413 WeakPolarHBondContact O-CA 3.48Å; D409-Y413 PolarHBondContact O-N 3.43Å; D409-R414 PolarHBondContact N-O 3.46Å; D409-R414 PolarHBondContact O-N 3.31Å; D409-F416 HydrophobicContact CB-CD1 4.1Å |
| 410 | L | 92.2 | Very high | 94.9 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7 | 179.7 | -65.2 | -178.9 | 0 | 0 | 0 | 113.9 | V364 F376 F388 S393 K394 V396 Y413 | V364-L410 HydrophobicContact CG1-CD2 4.32Å; V364-L410 HydrophobicContact CG2-CD2 3.74Å; F376-L410 HydrophobicContact CE2-CD2 4.07Å; F376-L410 HydrophobicContact CZ-CD2 4.1Å; F388-L410 HydrophobicContact CE1-CD1 3.8Å; F388-L410 HydrophobicContact CZ-CD1 4.18Å; S393-L410 WeakPolarHBondContact O-CD1 3.23Å; K394-L410 WeakPolarHBondContact O-CB 3.44Å; K394-L410 PolarHBondContact O-N 2.87Å; V396-L410 HydrophobicContact CG2-CD1 3.67Å; V396-L410 HydrophobicContact CG2-CD2 3.86Å; V396-L410 HydrophobicContact CG2-CG 3.83Å; L410-Y413 WeakPolarHBondContact O-CE1 3.36Å |
| 411 | I | 91 | Very high | 94.8 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -46.7 | 171.6 | -63.6 | 174.1 | 0 | 0 | 0 | 110 | K394 D409 | K394-I411 HydrophobicContact CB-CD1 4.46Å; K394-I411 HydrophobicContact CB-CG1 4.41Å; K394-I411 HydrophobicContact CD-CD1 3.6Å; K394-I411 HydrophobicContact CD-CG1 4.24Å; K394-I411 HydrophobicContact CG-CD1 4.13Å; K394-I411 HydrophobicContact CG-CG1 4.23Å; D409-I411 VanDerWaalsContact C-N 3.34Å; D409-I411 PolarHBondContact OD1-N 3.22Å |
| 412 | R | 93.1 | Very high | 94.4 | Very high | 169 Ų | 169 | 53.3 Ų | 53.3 | 64% | 0.638 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -3.4 | -173.6 | -62.7 | -178.2 | 179.3 | -172.2 | 1.2 | 113.8 | R414 | R412-R414 VanDerWaalsContact C-N 3.31Å; R412-R414 HydrophobicContact CB-CG 4.22Å; R412-R414 PolarHBondContact O-N 3.49Å |
| 413 | Y | 94.4 | Very high | 93.9 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 47.4 | 179.5 | -53.2 | -57.7 | 0 | 0 | 0 | 113.9 | V374 F376 D409 L410 | V374-Y413 HydrophobicContact CB-CD1 4.08Å; V374-Y413 HydrophobicContact CB-CE1 4.23Å; V374-Y413 HydrophobicContact CG1-CD1 4.14Å; V374-Y413 HydrophobicContact CG2-CD1 3.34Å; V374-Y413 HydrophobicContact CG2-CD2 4.21Å; V374-Y413 HydrophobicContact CG2-CE1 3.3Å; V374-Y413 HydrophobicContact CG2-CE2 4.19Å; V374-Y413 HydrophobicContact CG2-CG 3.78Å; F376-Y413 HydrophobicContact CZ-CD1 4.48Å; D409-Y413 WeakPolarHBondContact O-CA 3.48Å; D409-Y413 PolarHBondContact O-N 3.43Å; L410-Y413 WeakPolarHBondContact O-CE1 3.36Å |
| 414 | R | 95.1 | Very high | 93.6 | Very high | 128 Ų | 128 | 62.9 Ų | 62.9 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.9 | 177.3 | 68.4 | -179.4 | -175 | 164.4 | 5.1 | 110.7 | D409 R412 F416 | D409-R414 PolarHBondContact N-O 3.46Å; D409-R414 PolarHBondContact O-N 3.31Å; R412-R414 VanDerWaalsContact C-N 3.31Å; R412-R414 HydrophobicContact CB-CG 4.22Å; R412-R414 PolarHBondContact O-N 3.49Å; R414-F416 PolarHBondContact O-N 2.8Å |
| 415 | N | 95.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 73.5 Ų | 73.5 | 16% | 0.16 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.4 | 160.4 | 176.6 | -24.1 | 0 | 0 | 0 | 110.2 | E378 R406 A407 R417 T418 | E378-N415 WeakPolarHBondContact OE1-CB 3.33Å; E378-N415 PolarHBondContact OE1-N 3.32Å; E378-N415 WeakPolarHBondContact OE2-CB 3.42Å; E378-N415 VanDerWaalsContact OE2-CG 3.27Å; E378-N415 PolarHBondContact OE2-ND2 3.09Å; R406-N415 WeakPolarHBondContact CD-ND2 3.34Å; R406-N415 VanDerWaalsContact CG-ND2 3.29Å; R406-N415 WeakPolarHBondContact CG-ND2 3.29Å; A407-N415 CarbonylContact O-C 3.58Å; A407-N415 VanDerWaalsContact O-CA 3.3Å; A407-N415 WeakPolarHBondContact O-CA 3.27Å; A407-N415 PolarHBondContact O-OD1 2.85Å; N415-R417 PolarHBondContact OD1-N 2.89Å; N415-R417 PolarHBondContact OD1-O 3.18Å; N415-T418 PolarHBondContact ND2-OG1 3.28Å; N415-T418 PolarHBondContact OD1-OG1 3.27Å |
| 416 | F | 94.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 73.7 Ų | 73.7 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -15.8 | 177.2 | 73.9 | -83.4 | 0 | 0 | 0 | 112.9 | V395 A407 D409 R414 V455 | V395-F416 HydrophobicContact CG1-CE1 3.97Å; V395-F416 HydrophobicContact CG1-CZ 4.06Å; V395-F416 HydrophobicContact CG2-CE1 4.36Å; V395-F416 HydrophobicContact CG2-CZ 4.45Å; A407-F416 HydrophobicContact CB-CD1 4.12Å; A407-F416 HydrophobicContact CB-CE1 3.46Å; A407-F416 VanDerWaalsContact CB-CE1 3.46Å; A407-F416 HydrophobicContact CB-CE2 4.29Å; A407-F416 HydrophobicContact CB-CZ 3.55Å; A407-F416 WeakPolarHBondContact O-CD1 3.33Å; A407-F416 PolarHBondContact O-N 3.41Å; D409-F416 HydrophobicContact CB-CD1 4.1Å; R414-F416 PolarHBondContact O-N 2.8Å; F416-V455 HydrophobicContact CE2-CG1 4.39Å; F416-V455 HydrophobicContact CZ-CG1 4.33Å |
| 417 | R | 95 | Very high | 92.9 | Very high | 102 Ų | 102 | 75.9 Ų | 75.9 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 136.6 | 173.7 | -67.8 | -63.2 | -175.4 | -165.4 | 4.5 | 111.3 | R406 A407 N415 F419 K456 | R406-R417 CarbonylContact C-O 3.56Å; R406-R417 WeakPolarHBondContact CA-O 3.27Å; A407-R417 HydrophobicContact CB-CB 3.93Å; A407-R417 PolarHBondContact N-O 2.8Å; N415-R417 PolarHBondContact OD1-N 2.89Å; N415-R417 PolarHBondContact OD1-O 3.18Å; R417-F419 HydrophobicContact CB-CE1 4.34Å; R417-F419 HydrophobicContact CB-CE2 4.23Å; R417-F419 HydrophobicContact CB-CZ 3.9Å; R417-F419 HydrophobicContact CG-CZ 4.47Å; R417-K456 PolarHBondContact NH2-O 3.11Å |
| 418 | T | 96.3 | Very high | 92.9 | Very high | 64 Ų | 64 | 76 Ų | 76 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116.9 | 168.3 | -58.2 | 0 | 0 | 0 | 0 | 108 | T404 V405 R406 N415 T420 | T404-T418 HydrophobicContact CG2-CG2 4.07Å; V405-T418 CarbonylContact O-C 3.47Å; V405-T418 WeakPolarHBondContact O-CA 3.35Å; R406-T418 HydrophobicContact CG-CG2 4.15Å; N415-T418 PolarHBondContact ND2-OG1 3.28Å; N415-T418 PolarHBondContact OD1-OG1 3.27Å; T418-T420 HydrophobicContact CG2-CG2 4.25Å |
| 419 | F | 96.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 77.3 Ų | 77.3 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.4 | 176.5 | -46.6 | -81.5 | 0 | 0 | 0 | 109.2 | L397 V405 A407 R417 W453 V455 | L397-F419 HydrophobicContact CD2-CE2 3.84Å; V405-F419 HydrophobicContact CB-CB 4.16Å; V405-F419 HydrophobicContact CB-CD2 3.94Å; V405-F419 HydrophobicContact CG1-CD2 3.93Å; V405-F419 PolarHBondContact N-O 3.43Å; V405-F419 VanDerWaalsContact O-CD2 3.32Å; V405-F419 WeakPolarHBondContact O-CD2 3.29Å; V405-F419 PolarHBondContact O-N 3.07Å; A407-F419 HydrophobicContact CB-CE2 4.19Å; R417-F419 HydrophobicContact CB-CE1 4.34Å; R417-F419 HydrophobicContact CB-CE2 4.23Å; R417-F419 HydrophobicContact CB-CZ 3.9Å; R417-F419 HydrophobicContact CG-CZ 4.47Å; F419-W453 HydrophobicContact CB-CD2 3.82Å; F419-W453 HydrophobicContact CB-CE3 4.41Å; F419-W453 HydrophobicContact CB-CG 3.86Å; F419-W453 HydrophobicContact CB-CZ2 4.41Å; F419-W453 HydrophobicContact CD1-CB 3.56Å; F419-W453 AromaticContact CD1-CD1 3.96Å; F419-W453 HydrophobicContact CD1-CD2 4.49Å; F419-W453 AromaticContact CD1-CG 3.75Å; F419-W453 HydrophobicContact CD1-CG 3.75Å; F419-W453 HydrophobicContact CE1-CB 3.99Å; F419-W453 HydrophobicContact CG-CB 4.16Å; F419-W453 HydrophobicContact CG-CD2 4.31Å; F419-W453 HydrophobicContact CG-CG 4.03Å; F419-V455 HydrophobicContact CZ-CB 4.44Å; F419-V455 HydrophobicContact CZ-CG2 4.3Å |
| 420 | T | 94.9 | Very high | 92.8 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | trans | -138.6 | 158.3 | 178 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | T404 T418 W453 | T404-T420 HydrophobicContact CG2-CG2 3.95Å; T418-T420 HydrophobicContact CG2-CG2 4.25Å; T420-W453 PolarHBondContact O-NE1 3.42Å | ||
| 421 | V | 93.3 | Very high | 93 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | trans | -93.1 | 120 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | T423 I426 F428 Y451 W453 | V421-T423 VanDerWaalsContact C-N 3.28Å; V421-T423 WeakPolarHBondContact CG1-OG1 3.09Å; V421-T423 PolarHBondContact O-N 3.15Å; V421-I426 HydrophobicContact CB-CD1 3.98Å; V421-I426 HydrophobicContact CG1-CD1 3.97Å; V421-I426 HydrophobicContact CG2-CD1 3.98Å; V421-F428 HydrophobicContact CG2-CZ 4.15Å; V421-Y451 HydrophobicContact CG1-CD1 4.38Å; V421-Y451 HydrophobicContact CG1-CE1 3.98Å; V421-Y451 HydrophobicContact CG2-CD1 3.51Å; V421-Y451 HydrophobicContact CG2-CD2 4.2Å; V421-Y451 HydrophobicContact CG2-CE1 3.76Å; V421-Y451 HydrophobicContact CG2-CE2 4.36Å; V421-Y451 HydrophobicContact CG2-CG 3.78Å; V421-W453 HydrophobicContact CG2-CZ2 3.84Å | ||
| 422 | P | 87.1 | Confident | 93.2 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 73% | 0.734 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -64.4 | -28.3 | -174.2 | -25.5 | 34.6 | 0 | 0 | 0 | 114.7 | ||
| 423 | T | 83.9 | Confident | 93.3 | Very high | 121 Ų | 121 | 64.9 Ų | 64.9 | 74% | 0.742 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -79.5 | -34 | -169.2 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | V421 | V421-T423 VanDerWaalsContact C-N 3.28Å; V421-T423 WeakPolarHBondContact CG1-OG1 3.09Å; V421-T423 PolarHBondContact O-N 3.15Å |
| 424 | R | 87.1 | Confident | 93.1 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -160.5 | 157.4 | -177.6 | 55.6 | 177.9 | 173.7 | -170.7 | -4.8 | 110.9 | I426 T447 E449 | R424-I426 HydrophobicContact CG-CD1 3.94Å; R424-I426 HydrophobicContact CG-CG1 3.78Å; R424-T447 VanDerWaalsContact NE-CG2 3.35Å; R424-T447 VanDerWaalsContact NH2-CB 3.3Å; R424-T447 VanDerWaalsContact NH2-CG2 3.29Å; R424-E449 IonicContact NH2-OE1 3.78Å; R424-E449 PolarHBondContact NH2-OE1 3.2Å; R424-E449 IonicContact NH2-OE2 3.4Å; R424-E449 PolarHBondContact NH2-OE2 3.27Å |
| 425 | R | 89.7 | Confident | 92.6 | Very high | 242 Ų | 242 | 54.6 Ų | 54.6 | 91% | 0.913 | 27% | 0.273 | S | S | * | . | trans | -78.5 | 131.4 | 169.1 | -64.8 | -171.3 | -177.4 | -171.7 | 1.1 | 109.2 | ||||
| 426 | I | 92.7 | Very high | 92 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -134 | 136.3 | -173 | -56.8 | 176.8 | 0 | 0 | 0 | 107.3 | G403 V421 R424 F428 T447 Y451 | G403-I426 WeakPolarHBondContact CA-O 3.46Å; V421-I426 HydrophobicContact CB-CD1 3.98Å; V421-I426 HydrophobicContact CG1-CD1 3.97Å; V421-I426 HydrophobicContact CG2-CD1 3.98Å; R424-I426 HydrophobicContact CG-CD1 3.94Å; R424-I426 HydrophobicContact CG-CG1 3.78Å; I426-F428 HydrophobicContact CG2-CE1 4.35Å; I426-T447 HydrophobicContact CB-CG2 4.47Å; I426-T447 HydrophobicContact CD1-CG2 3.89Å; I426-T447 HydrophobicContact CG1-CG2 3.87Å; I426-T447 HydrophobicContact CG2-CG2 3.92Å; I426-Y451 HydrophobicContact CD1-CE1 4.1Å; I426-Y451 HydrophobicContact CD1-CE2 3.54Å; I426-Y451 WeakPolarHBondContact CD1-OH 3.36Å; I426-Y451 HydrophobicContact CG2-CE2 4.32Å | ||
| 427 | Q | 94.1 | Very high | 91.6 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | trans | -82.7 | 128.2 | 172.9 | -56.6 | -170.6 | -12.4 | 0 | 0 | 110.2 | L401 L445 | L401-Q427 HydrophobicContact CD2-CB 4.04Å; L401-Q427 WeakPolarHBondContact O-CG 3.47Å; Q427-L445 HydrophobicContact CB-CB 4.36Å; Q427-L445 PolarHBondContact O-N 3.16Å | ||
| 428 | F | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127 | 178.5 | -62.3 | -59 | 0 | 0 | 0 | 111.2 | T384 A399 S400 G403 V405 V421 I426 A442 G443 Y451 W453 | T384-F428 WeakPolarHBondContact CB-O 3.06Å; T384-F428 WeakPolarHBondContact CG2-O 3.49Å; T384-F428 PolarHBondContact OG1-O 2.75Å; A399-F428 HydrophobicContact CB-CB 4.12Å; S400-F428 PolarHBondContact O-N 2.71Å; G403-F428 VanDerWaalsContact C-CE2 3.43Å; G403-F428 WeakPolarHBondContact O-CE2 3.24Å; V405-F428 HydrophobicContact CG2-CD2 3.77Å; V405-F428 HydrophobicContact CG2-CE2 3.93Å; V405-F428 HydrophobicContact CG2-CG 4.29Å; V421-F428 HydrophobicContact CG2-CZ 4.15Å; I426-F428 HydrophobicContact CG2-CE1 4.35Å; F428-A442 HydrophobicContact CB-CB 4.38Å; F428-A442 HydrophobicContact CD1-CB 3.75Å; F428-A442 HydrophobicContact CE1-CB 4.23Å; F428-A442 HydrophobicContact CG-CB 4.06Å; F428-G443 CarbonylContact C-O 3.6Å; F428-G443 WeakPolarHBondContact CA-O 2.91Å; F428-Y451 AromaticContact CE1-CD2 3.81Å; F428-Y451 HydrophobicContact CE1-CD2 3.81Å; F428-Y451 HydrophobicContact CE1-CE2 4.38Å; F428-W453 AromaticContact CE1-CH2 3.72Å; F428-W453 HydrophobicContact CE1-CH2 3.72Å; F428-W453 HydrophobicContact CE1-CZ2 4.37Å; F428-W453 HydrophobicContact CE2-CH2 4.3Å; F428-W453 AromaticContact CZ-CH2 3.55Å; F428-W453 HydrophobicContact CZ-CH2 3.55Å; F428-W453 AromaticContact CZ-CZ2 3.88Å; F428-W453 HydrophobicContact CZ-CZ2 3.88Å |
| 429 | S | 93.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 50 Ų | 50 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -32.7 | -179.8 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | T384 G443 I471 | T384-S429 WeakPolarHBondContact CB-O 3.22Å; S429-G443 PolarHBondContact N-O 3.46Å; S429-G443 PolarHBondContact OG-O 3.03Å; S429-I471 PolarHBondContact OG-O 2.75Å |
| 430 | S | 93.9 | Very high | 91 | Very high | 11 Ų | 11 | 50 Ų | 50 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 159 | -170.5 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | A442 G443 L474 | S430-A442 VanDerWaalsContact O-CA 3.28Å; S430-A442 WeakPolarHBondContact O-CA 3.48Å; S430-A442 WeakPolarHBondContact O-CB 3.47Å; S430-G443 PolarHBondContact O-N 3.32Å; S430-G443 VanDerWaalsContact O-N 3.17Å; S430-L474 WeakPolarHBondContact OG-CD1 3.13Å |
| 431 | L | 96.3 | Very high | 91 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.7 | -176.2 | 178.8 | 70.9 | 0 | 0 | 0 | 109.7 | A387 L397 A399 V405 V440 A441 | A387-L431 HydrophobicContact CB-CD2 3.9Å; A387-L431 HydrophobicContact CB-CG 4.3Å; L397-L431 HydrophobicContact CB-CD2 4.01Å; L397-L431 WeakPolarHBondContact O-CD2 3.15Å; A399-L431 HydrophobicContact CB-CB 3.89Å; A399-L431 HydrophobicContact CB-CD1 4.24Å; A399-L431 HydrophobicContact CB-CD2 4.45Å; A399-L431 HydrophobicContact CB-CG 4.42Å; V405-L431 HydrophobicContact CG1-CD1 3.67Å; L431-V440 HydrophobicContact CD1-CG1 3.49Å; L431-V440 VanDerWaalsContact CD1-CG1 3.49Å; L431-A441 WeakPolarHBondContact CA-O 3.09Å |
| 432 | A | 95.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A441 L474 F476 L487 | A432-A441 PolarHBondContact N-O 2.77Å; A432-A441 PolarHBondContact O-N 2.77Å; A432-L474 HydrophobicContact CB-CB 3.69Å; A432-F476 HydrophobicContact CB-CD2 3.77Å; A432-F476 HydrophobicContact CB-CE2 4.01Å; A432-L487 HydrophobicContact CB-CD1 4.38Å |
| 433 | V | 93.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.2 | -177.7 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | A387 P389 L397 V440 F476 | A387-V433 HydrophobicContact CB-CB 4.44Å; A387-V433 HydrophobicContact CB-CG2 3.57Å; P389-V433 HydrophobicContact CB-CG1 3.99Å; L397-V433 HydrophobicContact CB-CG2 4.26Å; L397-V433 HydrophobicContact CD1-CB 4.26Å; L397-V433 HydrophobicContact CD1-CG1 3.75Å; L397-V433 HydrophobicContact CD1-CG2 3.4Å; L397-V433 HydrophobicContact CG-CG2 4.46Å; V433-V440 HydrophobicContact CG2-CG2 4.43Å; V433-F476 WeakPolarHBondContact O-CD2 3.43Å |
| 434 | D | 90.3 | Very high | 92 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -67.1 | 152 | 175.2 | 171.2 | 36.3 | 0 | 0 | 0 | 111.1 | R436 G437 S438 L439 F476 | D434-R436 PolarHBondContact O-N 3.31Å; D434-G437 WeakPolarHBondContact O-CA 3.23Å; D434-G437 PolarHBondContact O-N 2.84Å; D434-S438 PolarHBondContact OD2-OG 3.32Å; D434-L439 HydrophobicContact CB-CB 3.99Å; D434-L439 PolarHBondContact N-O 2.94Å; D434-F476 HydrophobicContact CB-CD1 4.32Å; D434-F476 HydrophobicContact CB-CD2 4.48Å; D434-F476 HydrophobicContact CB-CE1 4.46Å; D434-F476 HydrophobicContact CB-CG 4.32Å | ||
| 435 | T | 85.2 | Confident | 92.2 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -40.7 | 177.3 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | Q391 G437 P478 | Q391-T435 PolarHBondContact N-O 2.94Å; T435-G437 VanDerWaalsContact C-N 3.29Å; T435-G437 PolarHBondContact O-N 3.49Å; T435-P478 VanDerWaalsContact CG2-CA 3.48Å; T435-P478 HydrophobicContact CG2-CB 4.16Å |
| 436 | R | 83 | Confident | 92.1 | Very high | 105 Ų | 105 | 24.8 Ų | 24.8 | 40% | 0.396 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.8 | 177.8 | -64.9 | -178.1 | 169.5 | 72.8 | 17.8 | 113 | D434 S438 G482 | D434-R436 PolarHBondContact O-N 3.31Å; R436-S438 VanDerWaalsContact C-N 3.26Å; R436-S438 PolarHBondContact O-N 3.36Å; R436-G482 VanDerWaalsContact NH2-N 3.19Å |
| 437 | G | 85 | Confident | 92 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 70.2 | 19.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D434 T435 V455 | D434-G437 WeakPolarHBondContact O-CA 3.23Å; D434-G437 PolarHBondContact O-N 2.84Å; T435-G437 VanDerWaalsContact C-N 3.29Å; T435-G437 PolarHBondContact O-N 3.49Å; G437-V455 WeakPolarHBondContact O-CG2 3.4Å |
| 438 | S | 89 | Confident | 92 | Very high | 33 Ų | 33 | 25.4 Ų | 25.4 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -81 | -32.5 | 175.1 | 31.3 | 0 | 0 | 0 | 0 | 113.3 | D434 R436 V455 | D434-S438 PolarHBondContact OD2-OG 3.32Å; R436-S438 VanDerWaalsContact C-N 3.26Å; R436-S438 PolarHBondContact O-N 3.36Å; S438-V455 PolarHBondContact O-N 3.47Å |
| 439 | L | 92 | Very high | 91.9 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.1 | -174.5 | -59.9 | 178.7 | 0 | 0 | 0 | 111.1 | D434 V452 W453 L461 F476 I485 V501 | D434-L439 HydrophobicContact CB-CB 3.99Å; D434-L439 PolarHBondContact N-O 2.94Å; L439-V452 HydrophobicContact CB-CG1 4.48Å; L439-V452 HydrophobicContact CD2-CG1 4.48Å; L439-W453 WeakPolarHBondContact CA-O 3.5Å; L439-L461 HydrophobicContact CD2-CD1 3.39Å; L439-F476 HydrophobicContact CB-CZ 4.27Å; L439-I485 HydrophobicContact CD1-CD1 3.81Å; L439-I485 HydrophobicContact CD1-CG2 4.18Å; L439-V501 HydrophobicContact CD1-CG1 4.23Å |
| 440 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.6 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | L397 V405 L431 V433 V452 W453 V455 | L397-V440 HydrophobicContact CD1-CG2 3.5Å; L397-V440 VanDerWaalsContact CD1-CG2 3.5Å; L397-V440 HydrophobicContact CD2-CG2 4.04Å; L397-V440 HydrophobicContact CG-CG2 4.41Å; V405-V440 HydrophobicContact CG1-CG1 4.09Å; L431-V440 HydrophobicContact CD1-CG1 3.49Å; L431-V440 VanDerWaalsContact CD1-CG1 3.49Å; V433-V440 HydrophobicContact CG2-CG2 4.43Å; V440-V452 CarbonylContact O-C 3.55Å; V440-V452 WeakPolarHBondContact O-CA 3.27Å; V440-W453 PolarHBondContact N-O 3.43Å; V440-W453 PolarHBondContact O-N 3.19Å; V440-V455 HydrophobicContact CG2-CG2 3.35Å |
| 441 | A | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L431 A432 Y451 V452 L474 F476 L487 | L431-A441 WeakPolarHBondContact CA-O 3.09Å; A432-A441 PolarHBondContact N-O 2.77Å; A432-A441 PolarHBondContact O-N 2.77Å; A441-Y451 CarbonylContact C-O 3.6Å; A441-Y451 WeakPolarHBondContact CA-O 3.38Å; A441-V452 HydrophobicContact CB-CG2 4.17Å; A441-L474 HydrophobicContact CB-CD1 4.44Å; A441-F476 HydrophobicContact CB-CE2 3.72Å; A441-F476 HydrophobicContact CB-CZ 3.8Å; A441-L487 HydrophobicContact CB-CD1 4.09Å; A441-L487 HydrophobicContact CB-CD2 3.99Å |
| 442 | A | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 144 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V405 F428 S430 A450 Y451 W453 L474 | V405-A442 HydrophobicContact CG2-CB 3.79Å; F428-A442 HydrophobicContact CB-CB 4.38Å; F428-A442 HydrophobicContact CD1-CB 3.75Å; F428-A442 HydrophobicContact CE1-CB 4.23Å; F428-A442 HydrophobicContact CG-CB 4.06Å; S430-A442 VanDerWaalsContact O-CA 3.28Å; S430-A442 WeakPolarHBondContact O-CA 3.48Å; S430-A442 WeakPolarHBondContact O-CB 3.47Å; A442-A450 WeakPolarHBondContact O-CA 3.49Å; A442-Y451 PolarHBondContact N-O 2.64Å; A442-Y451 PolarHBondContact O-N 2.92Å; A442-W453 HydrophobicContact CB-CH2 3.96Å; A442-W453 HydrophobicContact CB-CZ3 3.6Å; A442-L474 VanDerWaalsContact C-CD1 3.48Å |
| 443 | G | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F428 S429 S430 | F428-G443 CarbonylContact C-O 3.6Å; F428-G443 WeakPolarHBondContact CA-O 2.91Å; S429-G443 PolarHBondContact N-O 3.46Å; S429-G443 PolarHBondContact OG-O 3.03Å; S430-G443 PolarHBondContact O-N 3.32Å; S430-G443 VanDerWaalsContact O-N 3.17Å |
| 444 | G | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E449 | G444-E449 PolarHBondContact N-O 3.4Å |
| 445 | L | 90.3 | Very high | 91.9 | Very high | 51 Ų | 51 | 25 Ų | 25 | 27% | 0.267 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -47.8 | 172.3 | -175.8 | 65.6 | 0 | 0 | 0 | 111.1 | Q427 F448 P470 | Q427-L445 HydrophobicContact CB-CB 4.36Å; Q427-L445 PolarHBondContact O-N 3.16Å; L445-F448 WeakPolarHBondContact O-CD1 3.45Å; L445-F448 WeakPolarHBondContact O-CE1 3.3Å; L445-P470 HydrophobicContact CD1-CB 4.06Å; L445-P470 HydrophobicContact CD1-CG 4.46Å; L445-P470 WeakPolarHBondContact O-CG 3.46Å |
| 446 | D | 89 | Confident | 92.2 | Very high | 96 Ų | 96 | 31.7 Ų | 31.7 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -26.5 | -173.6 | -55.9 | -41.7 | 0 | 0 | 0 | 113.3 | ||
| 447 | T | 90.5 | Very high | 92.6 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -12.4 | -169.3 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | R424 I426 E449 Y451 | R424-T447 VanDerWaalsContact NE-CG2 3.35Å; R424-T447 VanDerWaalsContact NH2-CB 3.3Å; R424-T447 VanDerWaalsContact NH2-CG2 3.29Å; I426-T447 HydrophobicContact CB-CG2 4.47Å; I426-T447 HydrophobicContact CD1-CG2 3.89Å; I426-T447 HydrophobicContact CG1-CG2 3.87Å; I426-T447 HydrophobicContact CG2-CG2 3.92Å; T447-E449 WeakPolarHBondContact O-CG 3.36Å; T447-E449 PolarHBondContact O-N 3.32Å; T447-Y451 PolarHBondContact OG1-OH 2.96Å |
| 448 | F | 94 | Very high | 92.8 | Very high | 77 Ų | 77 | 30.5 Ų | 30.5 | 34% | 0.338 | 16% | 0.164 | S | C | . | . | trans | 60.5 | 11.5 | 179.6 | -44.4 | -24.3 | 0 | 0 | 0 | 114.2 | L445 S469 P470 | L445-F448 WeakPolarHBondContact O-CD1 3.45Å; L445-F448 WeakPolarHBondContact O-CE1 3.3Å; F448-S469 VanDerWaalsContact CB-O 3.3Å; F448-S469 WeakPolarHBondContact CB-O 3.41Å; F448-S469 VanDerWaalsContact CG-C 3.42Å; F448-P470 HydrophobicContact CD1-CB 4.29Å; F448-P470 HydrophobicContact CD1-CG 3.89Å; F448-P470 HydrophobicContact CE1-CB 4.49Å; F448-P470 VanDerWaalsContact CE1-CD 3.48Å; F448-P470 HydrophobicContact CE1-CG 3.63Å | ||
| 449 | E | 94.1 | Very high | 92.9 | Very high | 48 Ų | 48 | 35 Ų | 35 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | trans | -103.6 | 148.4 | -179.4 | -67 | 166.2 | -167.1 | 0 | 0 | 109.8 | R424 G444 T447 Y451 L464 T465 I471 | R424-E449 IonicContact NH2-OE1 3.78Å; R424-E449 PolarHBondContact NH2-OE1 3.2Å; R424-E449 IonicContact NH2-OE2 3.4Å; R424-E449 PolarHBondContact NH2-OE2 3.27Å; G444-E449 PolarHBondContact N-O 3.4Å; T447-E449 WeakPolarHBondContact O-CG 3.36Å; T447-E449 PolarHBondContact O-N 3.32Å; E449-Y451 HydrophobicContact CB-CE2 4.04Å; E449-Y451 PolarHBondContact OE2-OH 3.36Å; E449-L464 WeakPolarHBondContact CA-O 3.43Å; E449-T465 HydrophobicContact CG-CG2 4.05Å; E449-I471 VanDerWaalsContact C-CD1 3.47Å | ||
| 450 | A | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A442 T463 L464 I471 L474 | A442-A450 WeakPolarHBondContact O-CA 3.49Å; A450-T463 CarbonylContact O-C 3.6Å; A450-L464 HydrophobicContact CB-CB 4.07Å; A450-L464 HydrophobicContact CB-CD1 4.14Å; A450-L464 HydrophobicContact CB-CG 4.46Å; A450-L464 PolarHBondContact N-O 3.1Å; A450-L464 PolarHBondContact O-N 2.76Å; A450-I471 HydrophobicContact CB-CD1 3.55Å; A450-L474 HydrophobicContact CB-CD2 4.15Å |
| 451 | Y | 95 | Very high | 92.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.4 | -177 | -63 | -83.1 | 0 | 0 | 0 | 109.1 | V421 I426 F428 A441 A442 T447 E449 W453 L460 T463 | V421-Y451 HydrophobicContact CG1-CD1 4.38Å; V421-Y451 HydrophobicContact CG1-CE1 3.98Å; V421-Y451 HydrophobicContact CG2-CD1 3.51Å; V421-Y451 HydrophobicContact CG2-CD2 4.2Å; V421-Y451 HydrophobicContact CG2-CE1 3.76Å; V421-Y451 HydrophobicContact CG2-CE2 4.36Å; V421-Y451 HydrophobicContact CG2-CG 3.78Å; I426-Y451 HydrophobicContact CD1-CE1 4.1Å; I426-Y451 HydrophobicContact CD1-CE2 3.54Å; I426-Y451 WeakPolarHBondContact CD1-OH 3.36Å; I426-Y451 HydrophobicContact CG2-CE2 4.32Å; F428-Y451 AromaticContact CE1-CD2 3.81Å; F428-Y451 HydrophobicContact CE1-CD2 3.81Å; F428-Y451 HydrophobicContact CE1-CE2 4.38Å; A441-Y451 CarbonylContact C-O 3.6Å; A441-Y451 WeakPolarHBondContact CA-O 3.38Å; A442-Y451 PolarHBondContact N-O 2.64Å; A442-Y451 PolarHBondContact O-N 2.92Å; T447-Y451 PolarHBondContact OG1-OH 2.96Å; E449-Y451 HydrophobicContact CB-CE2 4.04Å; E449-Y451 PolarHBondContact OE2-OH 3.36Å; Y451-W453 HydrophobicContact CG-CH2 4.14Å; Y451-W453 HydrophobicContact CG-CZ2 4.25Å; Y451-W453 VanDerWaalsContact O-CZ3 3.24Å; Y451-W453 WeakPolarHBondContact O-CZ3 3.39Å; Y451-L460 HydrophobicContact CD1-CD1 3.97Å; Y451-L460 HydrophobicContact CD1-CD2 4.34Å; Y451-L460 HydrophobicContact CG-CD1 4.4Å; Y451-T463 HydrophobicContact CD1-CG2 3.68Å; Y451-T463 HydrophobicContact CE1-CG2 3.7Å |
| 452 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.4 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 110 | L439 V440 A441 L461 T462 L464 V501 | L439-V452 HydrophobicContact CB-CG1 4.48Å; L439-V452 HydrophobicContact CD2-CG1 4.48Å; V440-V452 CarbonylContact O-C 3.55Å; V440-V452 WeakPolarHBondContact O-CA 3.27Å; A441-V452 HydrophobicContact CB-CG2 4.17Å; V452-L461 PolarHBondContact O-N 2.68Å; V452-T462 HydrophobicContact CB-CG2 3.84Å; V452-T462 HydrophobicContact CG2-CG2 4.03Å; V452-T462 PolarHBondContact N-O 3.38Å; V452-T462 PolarHBondContact O-N 2.87Å; V452-L464 HydrophobicContact CG2-CD1 4Å; V452-L464 HydrophobicContact CG2-CG 4.25Å; V452-V501 HydrophobicContact CG1-CG1 4.14Å |
| 453 | W | 94.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.4 | 177.1 | -59.3 | -95.5 | 0 | 0 | 0 | 112 | V405 F419 T420 V421 F428 L439 V440 A442 Y451 Q459 L460 | V405-W453 HydrophobicContact CG2-CH2 4.27Å; V405-W453 HydrophobicContact CG2-CZ3 4.2Å; F419-W453 HydrophobicContact CB-CD2 3.82Å; F419-W453 HydrophobicContact CB-CE3 4.41Å; F419-W453 HydrophobicContact CB-CG 3.86Å; F419-W453 HydrophobicContact CB-CZ2 4.41Å; F419-W453 HydrophobicContact CD1-CB 3.56Å; F419-W453 AromaticContact CD1-CD1 3.96Å; F419-W453 HydrophobicContact CD1-CD2 4.49Å; F419-W453 AromaticContact CD1-CG 3.75Å; F419-W453 HydrophobicContact CD1-CG 3.75Å; F419-W453 HydrophobicContact CE1-CB 3.99Å; F419-W453 HydrophobicContact CG-CB 4.16Å; F419-W453 HydrophobicContact CG-CD2 4.31Å; F419-W453 HydrophobicContact CG-CG 4.03Å; T420-W453 PolarHBondContact O-NE1 3.42Å; V421-W453 HydrophobicContact CG2-CZ2 3.84Å; F428-W453 AromaticContact CE1-CH2 3.72Å; F428-W453 HydrophobicContact CE1-CH2 3.72Å; F428-W453 HydrophobicContact CE1-CZ2 4.37Å; F428-W453 HydrophobicContact CE2-CH2 4.3Å; F428-W453 AromaticContact CZ-CH2 3.55Å; F428-W453 HydrophobicContact CZ-CH2 3.55Å; F428-W453 AromaticContact CZ-CZ2 3.88Å; F428-W453 HydrophobicContact CZ-CZ2 3.88Å; L439-W453 WeakPolarHBondContact CA-O 3.5Å; V440-W453 PolarHBondContact N-O 3.43Å; V440-W453 PolarHBondContact O-N 3.19Å; A442-W453 HydrophobicContact CB-CH2 3.96Å; A442-W453 HydrophobicContact CB-CZ3 3.6Å; Y451-W453 HydrophobicContact CG-CH2 4.14Å; Y451-W453 HydrophobicContact CG-CZ2 4.25Å; Y451-W453 VanDerWaalsContact O-CZ3 3.24Å; Y451-W453 WeakPolarHBondContact O-CZ3 3.39Å; W453-Q459 VanDerWaalsContact CA-O 3.31Å; W453-Q459 WeakPolarHBondContact CA-O 3.25Å; W453-L460 VanDerWaalsContact CD1-CA 3.43Å; W453-L460 HydrophobicContact CD2-CD1 4.14Å; W453-L460 HydrophobicContact CG-CD1 4.27Å; W453-L460 HydrophobicContact CZ2-CD1 4.2Å |
| 454 | S | 92.7 | Very high | 92.1 | Very high | 18 Ų | 18 | 43 Ų | 43 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125 | 164.6 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | K456 T457 G458 Q459 | S454-K456 VanDerWaalsContact C-N 3.3Å; S454-K456 PolarHBondContact O-N 3.03Å; S454-T457 VanDerWaalsContact CB-OG1 3.25Å; S454-T457 WeakPolarHBondContact CB-OG1 3.44Å; S454-T457 PolarHBondContact OG-N 3.38Å; S454-T457 PolarHBondContact OG-OG1 3.4Å; S454-G458 VanDerWaalsContact O-CA 3.32Å; S454-G458 WeakPolarHBondContact O-CA 3.04Å; S454-G458 PolarHBondContact O-N 3.31Å; S454-Q459 PolarHBondContact N-O 3.48Å |
| 455 | V | 91.4 | Very high | 92 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -37.8 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | F416 F419 G437 S438 V440 | F416-V455 HydrophobicContact CE2-CG1 4.39Å; F416-V455 HydrophobicContact CZ-CG1 4.33Å; F419-V455 HydrophobicContact CZ-CB 4.44Å; F419-V455 HydrophobicContact CZ-CG2 4.3Å; G437-V455 WeakPolarHBondContact O-CG2 3.4Å; S438-V455 PolarHBondContact O-N 3.47Å; V440-V455 HydrophobicContact CG2-CG2 3.35Å |
| 456 | K | 90.6 | Very high | 92 | Very high | 166 Ų | 166 | 46 Ų | 46 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -49.8 | -176.6 | -68.6 | -178.2 | 179.8 | 175.6 | 0 | 111.3 | R417 S454 | R417-K456 PolarHBondContact NH2-O 3.11Å; S454-K456 VanDerWaalsContact C-N 3.3Å; S454-K456 PolarHBondContact O-N 3.03Å |
| 457 | T | 91.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.8 | -175.8 | 65 | 0 | 0 | 0 | 0 | 112.6 | S454 Q459 | S454-T457 VanDerWaalsContact CB-OG1 3.25Å; S454-T457 WeakPolarHBondContact CB-OG1 3.44Å; S454-T457 PolarHBondContact OG-N 3.38Å; S454-T457 PolarHBondContact OG-OG1 3.4Å; T457-Q459 PolarHBondContact O-N 3.05Å; T457-Q459 PolarHBondContact OG1-N 3.45Å |
| 458 | G | 90.4 | Very high | 92.4 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | trans | 78.3 | 2.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | S454 | S454-G458 VanDerWaalsContact O-CA 3.32Å; S454-G458 WeakPolarHBondContact O-CA 3.04Å; S454-G458 PolarHBondContact O-N 3.31Å | ||
| 459 | Q | 91.9 | Very high | 92.4 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | trans | -87 | 144.8 | -176.2 | -66.6 | 174.9 | -21.5 | 0 | 0 | 111.2 | W453 S454 T457 L461 | W453-Q459 VanDerWaalsContact CA-O 3.31Å; W453-Q459 WeakPolarHBondContact CA-O 3.25Å; S454-Q459 PolarHBondContact N-O 3.48Å; T457-Q459 PolarHBondContact O-N 3.05Å; T457-Q459 PolarHBondContact OG1-N 3.45Å; Q459-L461 PolarHBondContact O-N 3.06Å | ||
| 460 | L | 92.5 | Very high | 92.4 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 28% | 0.277 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 119.3 | 167.3 | -179.3 | 70.6 | 0 | 0 | 0 | 107.9 | Y451 W453 T463 | Y451-L460 HydrophobicContact CD1-CD1 3.97Å; Y451-L460 HydrophobicContact CD1-CD2 4.34Å; Y451-L460 HydrophobicContact CG-CD1 4.4Å; W453-L460 VanDerWaalsContact CD1-CA 3.43Å; W453-L460 HydrophobicContact CD2-CD1 4.14Å; W453-L460 HydrophobicContact CG-CD1 4.27Å; W453-L460 HydrophobicContact CZ2-CD1 4.2Å; L460-T463 HydrophobicContact CD2-CG2 3.92Å |
| 461 | L | 90 | Very high | 92.5 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -52.2 | -178.5 | -63.2 | 179.5 | 0 | 0 | 0 | 111.3 | L439 V452 Q459 M514 | L439-L461 HydrophobicContact CD2-CD1 3.39Å; V452-L461 PolarHBondContact O-N 2.68Å; Q459-L461 PolarHBondContact O-N 3.06Å; L461-M514 HydrophobicContact CD1-CE 4.39Å |
| 462 | T | 89.7 | Confident | 92.4 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.3 | -176.8 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | V452 L464 M514 | V452-T462 HydrophobicContact CB-CG2 3.84Å; V452-T462 HydrophobicContact CG2-CG2 4.03Å; V452-T462 PolarHBondContact N-O 3.38Å; V452-T462 PolarHBondContact O-N 2.87Å; T462-L464 HydrophobicContact CG2-CD2 3.96Å; T462-M514 HydrophobicContact CG2-CB 4.37Å; T462-M514 PolarHBondContact OG1-O 3.35Å |
| 463 | T | 92.1 | Very high | 92.5 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 37% | 0.368 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.6 | 172.1 | 56.6 | 0 | 0 | 0 | 0 | 107.9 | A450 Y451 L460 T465 | A450-T463 CarbonylContact O-C 3.6Å; Y451-T463 HydrophobicContact CD1-CG2 3.68Å; Y451-T463 HydrophobicContact CE1-CG2 3.7Å; L460-T463 HydrophobicContact CD2-CG2 3.92Å; T463-T465 PolarHBondContact O-N 2.87Å |
| 464 | L | 92.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.8 | 179.5 | -52.5 | 178.5 | 0 | 0 | 0 | 108.4 | E449 A450 V452 T462 L487 W499 | E449-L464 WeakPolarHBondContact CA-O 3.43Å; A450-L464 HydrophobicContact CB-CB 4.07Å; A450-L464 HydrophobicContact CB-CD1 4.14Å; A450-L464 HydrophobicContact CB-CG 4.46Å; A450-L464 PolarHBondContact N-O 3.1Å; A450-L464 PolarHBondContact O-N 2.76Å; V452-L464 HydrophobicContact CG2-CD1 4Å; V452-L464 HydrophobicContact CG2-CG 4.25Å; T462-L464 HydrophobicContact CG2-CD2 3.96Å; L464-L487 HydrophobicContact CD1-CD2 3.44Å; L464-L487 VanDerWaalsContact CD1-CD2 3.44Å; L464-W499 HydrophobicContact CB-CD2 4.17Å; L464-W499 HydrophobicContact CB-CE3 4.12Å; L464-W499 HydrophobicContact CB-CH2 4.12Å; L464-W499 HydrophobicContact CB-CZ2 4.19Å; L464-W499 HydrophobicContact CB-CZ3 4.07Å; L464-W499 HydrophobicContact CD1-CB 4.27Å; L464-W499 HydrophobicContact CD1-CD2 4.02Å; L464-W499 HydrophobicContact CD1-CE3 4.49Å; L464-W499 HydrophobicContact CD1-CG 3.9Å; L464-W499 HydrophobicContact CD2-CD2 4.22Å; L464-W499 HydrophobicContact CD2-CE3 3.88Å; L464-W499 HydrophobicContact CD2-CZ3 4.39Å; L464-W499 HydrophobicContact CG-CD2 4.37Å; L464-W499 HydrophobicContact CG-CE3 4.38Å |
| 465 | T | 91.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | trans | -114 | 140.9 | -175.1 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | E449 T463 W499 | E449-T465 HydrophobicContact CG-CG2 4.05Å; T463-T465 PolarHBondContact O-N 2.87Å; T465-W499 VanDerWaalsContact O-CH2 3.3Å; T465-W499 WeakPolarHBondContact O-CH2 3.01Å | ||
| 466 | G | 89.3 | Confident | 92.7 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | trans | 146 | -17.8 | 166 | 0 | 0 | 0 | 0 | 0 | 115.2 | R497 | G466-R497 VanDerWaalsContact C-NH2 3.33Å; G466-R497 PolarHBondContact O-NH1 3.21Å; G466-R497 PolarHBondContact O-NH2 3.45Å | ||
| 467 | H | 93.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | trans | -61.1 | 143.4 | 166.7 | -80.8 | -63.7 | 0 | 0 | 0 | 110.6 | I471 T489 S491 D493 T495 | H467-I471 HydrophobicContact CB-CG1 4.48Å; H467-T489 PolarHBondContact NE2-OG1 3.38Å; H467-S491 WeakPolarHBondContact ND1-CB 3.28Å; H467-D493 VanDerWaalsContact CA-OD2 3.29Å; H467-D493 WeakPolarHBondContact CA-OD2 3.39Å; H467-D493 IonicContact CE1-OD1 3.71Å; H467-D493 IonicContact CE1-OD2 2.93Å; H467-D493 IonicContact CG-OD2 3.96Å; H467-D493 IonicContact ND1-OD1 2.74Å; H467-D493 PolarHBondContact ND1-OD1 2.87Å; H467-D493 IonicContact ND1-OD2 3.1Å; H467-D493 PolarHBondContact ND1-OD2 2.81Å; H467-T495 PolarHBondContact CE1-OG1 2.94Å; H467-T495 PolarHBondContact ND1-OG1 2.82Å | ||
| 468 | T | 94.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 35.8 Ų | 35.8 | 66% | 0.656 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -99.9 | 3.5 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 113 | D493 | T468-D493 PolarHBondContact N-OD2 3.27Å; T468-D493 WeakPolarHBondContact OG1-CB 3.46Å |
| 469 | S | 94.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 37 Ų | 37 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -152.2 | 174.1 | -179.5 | 89.4 | 0 | 0 | 0 | 0 | 110.8 | F448 I471 S491 W492 D493 | F448-S469 VanDerWaalsContact CB-O 3.3Å; F448-S469 WeakPolarHBondContact CB-O 3.41Å; F448-S469 VanDerWaalsContact CG-C 3.42Å; S469-I471 PolarHBondContact O-N 3.42Å; S469-S491 PolarHBondContact O-OG 3.34Å; S469-S491 PolarHBondContact OG-OG 3.24Å; S469-W492 VanDerWaalsContact OG-CA 3.29Å; S469-W492 WeakPolarHBondContact OG-CA 3.48Å; S469-W492 WeakPolarHBondContact OG-CB 3.4Å; S469-W492 PolarHBondContact OG-N 3.23Å; S469-D493 PolarHBondContact OG-N 3.35Å |
| 470 | P | 94.5 | Very high | 89.5 | Confident | 18 Ų | 18 | 33 Ų | 33 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | trans | -53.8 | 140.4 | -178.1 | -23.9 | 32.1 | 0 | 0 | 0 | 113.3 | L445 F448 S472 S491 W492 | L445-P470 HydrophobicContact CD1-CB 4.06Å; L445-P470 HydrophobicContact CD1-CG 4.46Å; L445-P470 WeakPolarHBondContact O-CG 3.46Å; F448-P470 HydrophobicContact CD1-CB 4.29Å; F448-P470 HydrophobicContact CD1-CG 3.89Å; F448-P470 HydrophobicContact CE1-CB 4.49Å; F448-P470 VanDerWaalsContact CE1-CD 3.48Å; F448-P470 HydrophobicContact CE1-CG 3.63Å; P470-S472 PolarHBondContact O-N 3.2Å; P470-S491 WeakPolarHBondContact O-CA 3.31Å; P470-S491 WeakPolarHBondContact O-CB 3.46Å; P470-S491 PolarHBondContact O-OG 2.87Å; P470-W492 HydrophobicContact CB-CD2 4.46Å; P470-W492 HydrophobicContact CB-CE3 4.24Å; P470-W492 HydrophobicContact CB-CZ3 4.44Å; P470-W492 HydrophobicContact CG-CD2 4.49Å; P470-W492 HydrophobicContact CG-CE3 3.83Å; P470-W492 HydrophobicContact CG-CZ3 3.97Å; P470-W492 PolarHBondContact O-N 2.83Å | ||
| 471 | I | 95.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 121.2 | 173 | -59.5 | 178.6 | 0 | 0 | 0 | 107.3 | S429 E449 A450 H467 S469 L474 V490 | S429-I471 PolarHBondContact OG-O 2.75Å; E449-I471 VanDerWaalsContact C-CD1 3.47Å; A450-I471 HydrophobicContact CB-CD1 3.55Å; H467-I471 HydrophobicContact CB-CG1 4.48Å; S469-I471 PolarHBondContact O-N 3.42Å; I471-L474 HydrophobicContact CG2-CD2 3.7Å; I471-L474 HydrophobicContact CG2-CG 3.99Å; I471-V490 CarbonylContact C-O 3.59Å; I471-V490 WeakPolarHBondContact CA-O 3.49Å; I471-V490 WeakPolarHBondContact CG2-O 3.35Å |
| 472 | S | 93.8 | Very high | 85.8 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -40.3 | -176.8 | 67 | 0 | 0 | 0 | 0 | 111.7 | P470 V490 A527 L528 | P470-S472 PolarHBondContact O-N 3.2Å; S472-V490 PolarHBondContact N-O 3.13Å; S472-V490 PolarHBondContact OG-O 3.17Å; S472-A527 PolarHBondContact OG-O 3.45Å; S472-L528 WeakPolarHBondContact CB-O 3.33Å; S472-L528 PolarHBondContact OG-O 2.87Å |
| 473 | A | 95.5 | Very high | 84.4 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 158.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V490 L528 V530 | A473-V490 PolarHBondContact N-O 3.18Å; A473-V490 PolarHBondContact O-N 3.45Å; A473-L528 WeakPolarHBondContact CB-O 3.43Å; A473-V530 HydrophobicContact CB-CG1 3.99Å |
| 474 | L | 95.8 | Very high | 83.4 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.8 | -176.1 | -62.9 | 166.6 | 0 | 0 | 0 | 108.3 | S430 A432 A441 A442 A450 I471 A488 T489 | S430-L474 WeakPolarHBondContact OG-CD1 3.13Å; A432-L474 HydrophobicContact CB-CB 3.69Å; A441-L474 HydrophobicContact CB-CD1 4.44Å; A442-L474 VanDerWaalsContact C-CD1 3.48Å; A450-L474 HydrophobicContact CB-CD2 4.15Å; I471-L474 HydrophobicContact CG2-CD2 3.7Å; I471-L474 HydrophobicContact CG2-CG 3.99Å; L474-A488 WeakPolarHBondContact CA-O 3.45Å; L474-T489 HydrophobicContact CD2-CG2 3.16Å |
| 475 | A | 95 | Very high | 83 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 138.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L487 A488 V530 Y532 | A475-L487 WeakPolarHBondContact O-CD1 3.39Å; A475-A488 PolarHBondContact N-O 3.41Å; A475-A488 PolarHBondContact O-N 2.86Å; A475-V530 HydrophobicContact CB-CG1 4.2Å; A475-Y532 HydrophobicContact CB-CD2 3.76Å; A475-Y532 HydrophobicContact CB-CE2 4.11Å; A475-Y532 WeakPolarHBondContact O-CE2 3.14Å |
| 476 | F | 93.3 | Very high | 82.8 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 145 | 170.5 | -78.8 | -83.1 | 0 | 0 | 0 | 110.3 | A432 V433 D434 L439 A441 P478 I485 L487 Y532 | A432-F476 HydrophobicContact CB-CD2 3.77Å; A432-F476 HydrophobicContact CB-CE2 4.01Å; V433-F476 WeakPolarHBondContact O-CD2 3.43Å; D434-F476 HydrophobicContact CB-CD1 4.32Å; D434-F476 HydrophobicContact CB-CD2 4.48Å; D434-F476 HydrophobicContact CB-CE1 4.46Å; D434-F476 HydrophobicContact CB-CG 4.32Å; L439-F476 HydrophobicContact CB-CZ 4.27Å; A441-F476 HydrophobicContact CB-CE2 3.72Å; A441-F476 HydrophobicContact CB-CZ 3.8Å; F476-P478 WeakPolarHBondContact O-CD 3.24Å; F476-I485 HydrophobicContact CD1-CG2 3.92Å; F476-I485 HydrophobicContact CE1-CG2 3.98Å; F476-L487 HydrophobicContact CD1-CB 4.16Å; F476-L487 HydrophobicContact CD1-CD1 3.87Å; F476-L487 HydrophobicContact CD2-CD1 3.79Å; F476-L487 HydrophobicContact CE1-CB 4.09Å; F476-L487 HydrophobicContact CE1-CD1 3.86Å; F476-L487 HydrophobicContact CE1-CG 4.46Å; F476-L487 HydrophobicContact CE2-CD1 3.79Å; F476-L487 HydrophobicContact CG-CD1 3.86Å; F476-L487 HydrophobicContact CZ-CD1 3.82Å; F476-Y532 VanDerWaalsContact O-CD2 3.23Å; F476-Y532 WeakPolarHBondContact O-CD2 3.14Å |
| 477 | N | 90.3 | Very high | 83 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | trans | -68.6 | 122.3 | 174.5 | -171.5 | -22.3 | 0 | 0 | 0 | 110 | A479 I480 E486 Y532 G536 | N477-A479 VanDerWaalsContact C-N 3.33Å; N477-A479 PolarHBondContact O-N 3Å; N477-A479 WeakPolarHBondContact OD1-CB 3.28Å; N477-A479 PolarHBondContact OD1-N 3.03Å; N477-I480 HydrophobicContact CB-CD1 4.21Å; N477-E486 HydrophobicContact CB-CB 3.89Å; N477-E486 HydrophobicContact CB-CG 4.48Å; N477-E486 PolarHBondContact N-O 2.95Å; N477-E486 PolarHBondContact ND2-OE2 2.86Å; N477-Y532 HydrophobicContact CB-CD1 4.21Å; N477-Y532 HydrophobicContact CB-CE1 3.71Å; N477-Y532 HydrophobicContact CB-CE2 4.16Å; N477-G536 PolarHBondContact ND2-O 3.37Å; N477-G536 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 478 | P | 82.5 | Confident | 83.1 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.7 | -177 | 29.8 | -35.4 | 0 | 0 | 0 | 114.3 | T435 F476 I480 R533 G534 | T435-P478 VanDerWaalsContact CG2-CA 3.48Å; T435-P478 HydrophobicContact CG2-CB 4.16Å; F476-P478 WeakPolarHBondContact O-CD 3.24Å; P478-I480 PolarHBondContact O-N 3.25Å; P478-R533 VanDerWaalsContact CG-O 3.28Å; P478-R533 WeakPolarHBondContact CG-O 3.39Å; P478-G534 WeakPolarHBondContact CG-O 3.42Å |
| 479 | A | 65.8 | Low | 83.2 | Confident | 49 Ų | 49 | 32.2 Ų | 32.2 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 0.8 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | N477 S481 D535 | N477-A479 VanDerWaalsContact C-N 3.33Å; N477-A479 PolarHBondContact O-N 3Å; N477-A479 WeakPolarHBondContact OD1-CB 3.28Å; N477-A479 PolarHBondContact OD1-N 3.03Å; A479-S481 PolarHBondContact O-N 2.74Å; A479-D535 WeakPolarHBondContact CB-O 3.23Å |
| 480 | I | 57.1 | Low | 83.3 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 22% | 0.221 | 20% | 0.2 | C | C | . | . | trans | -98.7 | 115.4 | -163.9 | -51.4 | 167.9 | 0 | 0 | 0 | 112.1 | N477 P478 G482 D484 E486 | N477-I480 HydrophobicContact CB-CD1 4.21Å; P478-I480 PolarHBondContact O-N 3.25Å; I480-G482 PolarHBondContact O-N 3.18Å; I480-D484 WeakPolarHBondContact CB-O 3.2Å; I480-D484 HydrophobicContact CD1-CB 4.15Å; I480-D484 VanDerWaalsContact CD1-O 3.26Å; I480-D484 WeakPolarHBondContact CD1-O 3.24Å; I480-D484 HydrophobicContact CG2-CB 3.94Å; I480-D484 WeakPolarHBondContact CG2-O 3.41Å; I480-E486 HydrophobicContact CD1-CB 4.11Å | ||
| 481 | S | 53.4 | Low | 83.4 | Confident | 110 Ų | 110 | 30.5 Ų | 30.5 | 77% | 0.769 | 20% | 0.195 | S | C | * | . | trans | -62.1 | 77.9 | 163.5 | 60.6 | 0 | 0 | 0 | 0 | 111 | A479 I483 | A479-S481 PolarHBondContact O-N 2.74Å; S481-I483 VanDerWaalsContact C-N 3.32Å; S481-I483 PolarHBondContact O-N 3.34Å | ||
| 482 | G | 52.2 | Low | 83.3 | Confident | 47 Ų | 47 | 36 Ų | 36 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 76.8 | -5.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | R436 I480 | R436-G482 VanDerWaalsContact NH2-N 3.19Å; I480-G482 PolarHBondContact O-N 3.18Å |
| 483 | I | 59.9 | Low | 83.4 | Confident | 125 Ų | 125 | 36.1 Ų | 36.1 | 64% | 0.641 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -114.4 | -56.5 | 174.6 | -51.3 | 176.2 | 0 | 0 | 0 | 108.7 | S481 T502 | S481-I483 VanDerWaalsContact C-N 3.32Å; S481-I483 PolarHBondContact O-N 3.34Å; I483-T502 VanDerWaalsContact O-CG2 3.28Å; I483-T502 WeakPolarHBondContact O-CG2 3.35Å |
| 484 | D | 72.1 | Confident | 83.4 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | trans | -89.5 | 134.1 | -174.8 | -49.2 | -29.9 | 0 | 0 | 0 | 113.9 | I480 T502 | I480-D484 WeakPolarHBondContact CB-O 3.2Å; I480-D484 HydrophobicContact CD1-CB 4.15Å; I480-D484 VanDerWaalsContact CD1-O 3.26Å; I480-D484 WeakPolarHBondContact CD1-O 3.24Å; I480-D484 HydrophobicContact CG2-CB 3.94Å; I480-D484 WeakPolarHBondContact CG2-O 3.41Å; D484-T502 HydrophobicContact CB-CG2 3.96Å | ||
| 485 | I | 82.7 | Confident | 83.4 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | trans | -125.4 | 104 | 177.9 | -56.8 | 178.5 | 0 | 0 | 0 | 106.5 | L439 F476 V501 T502 | L439-I485 HydrophobicContact CD1-CD1 3.81Å; L439-I485 HydrophobicContact CD1-CG2 4.18Å; F476-I485 HydrophobicContact CD1-CG2 3.92Å; F476-I485 HydrophobicContact CE1-CG2 3.98Å; I485-V501 HydrophobicContact CG2-CB 4.34Å; I485-V501 PolarHBondContact O-N 3.37Å; I485-T502 HydrophobicContact CB-CG2 4.3Å | ||
| 486 | E | 88.6 | Confident | 83.4 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.9 | 179.9 | -177.6 | 174.7 | -144.1 | 0 | 0 | 110.6 | N477 I480 W499 K518 | N477-E486 HydrophobicContact CB-CB 3.89Å; N477-E486 HydrophobicContact CB-CG 4.48Å; N477-E486 PolarHBondContact N-O 2.95Å; N477-E486 PolarHBondContact ND2-OE2 2.86Å; I480-E486 HydrophobicContact CD1-CB 4.11Å; E486-W499 CarbonylContact C-O 3.55Å; E486-W499 VanDerWaalsContact CA-O 3.31Å; E486-W499 WeakPolarHBondContact CA-O 3.33Å; E486-K518 WeakPolarHBondContact OE1-CD 3.23Å; E486-K518 IonicContact OE1-NZ 2.92Å; E486-K518 PolarHBondContact OE1-NZ 3.22Å; E486-K518 IonicContact OE2-NZ 2.76Å |
| 487 | L | 93.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.7 | 174 | 178.3 | 76.5 | 0 | 0 | 0 | 109.1 | A432 A441 L464 A475 F476 T489 W499 V501 | A432-L487 HydrophobicContact CB-CD1 4.38Å; A441-L487 HydrophobicContact CB-CD1 4.09Å; A441-L487 HydrophobicContact CB-CD2 3.99Å; L464-L487 HydrophobicContact CD1-CD2 3.44Å; L464-L487 VanDerWaalsContact CD1-CD2 3.44Å; A475-L487 WeakPolarHBondContact O-CD1 3.39Å; F476-L487 HydrophobicContact CD1-CB 4.16Å; F476-L487 HydrophobicContact CD1-CD1 3.87Å; F476-L487 HydrophobicContact CD2-CD1 3.79Å; F476-L487 HydrophobicContact CE1-CB 4.09Å; F476-L487 HydrophobicContact CE1-CD1 3.86Å; F476-L487 HydrophobicContact CE1-CG 4.46Å; F476-L487 HydrophobicContact CE2-CD1 3.79Å; F476-L487 HydrophobicContact CG-CD1 3.86Å; F476-L487 HydrophobicContact CZ-CD1 3.82Å; L487-T489 HydrophobicContact CD2-CG2 3.83Å; L487-T489 HydrophobicContact CG-CG2 4.01Å; L487-W499 HydrophobicContact CB-CB 4.32Å; L487-W499 PolarHBondContact N-O 2.87Å; L487-W499 PolarHBondContact O-N 3.14Å; L487-V501 HydrophobicContact CB-CG2 3.93Å |
| 488 | A | 94.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L474 A475 L496 R497 L498 V530 Y532 L539 | L474-A488 WeakPolarHBondContact CA-O 3.45Å; A475-A488 PolarHBondContact N-O 3.41Å; A475-A488 PolarHBondContact O-N 2.86Å; A488-L496 HydrophobicContact CB-CD1 3.97Å; A488-R497 CarbonylContact C-O 3.56Å; A488-R497 WeakPolarHBondContact CA-O 3.32Å; A488-L498 HydrophobicContact CB-CD2 3.75Å; A488-V530 HydrophobicContact CB-CG2 4.12Å; A488-Y532 HydrophobicContact CB-CE2 3.61Å; A488-Y532 WeakPolarHBondContact CB-OH 3.36Å; A488-L539 HydrophobicContact CB-CD1 4.3Å; A488-L539 HydrophobicContact CB-CD2 4.31Å |
| 489 | T | 96.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.8 | 174.8 | 68.6 | 0 | 0 | 0 | 0 | 110.5 | H467 L474 L487 L496 R497 W499 | H467-T489 PolarHBondContact NE2-OG1 3.38Å; L474-T489 HydrophobicContact CD2-CG2 3.16Å; L487-T489 HydrophobicContact CD2-CG2 3.83Å; L487-T489 HydrophobicContact CG-CG2 4.01Å; T489-L496 CarbonylContact O-C 3.58Å; T489-L496 WeakPolarHBondContact O-CA 3.46Å; T489-R497 PolarHBondContact N-O 3.2Å; T489-R497 PolarHBondContact O-N 3.46Å; T489-W499 VanDerWaalsContact CG2-NE1 3.31Å; T489-W499 PolarHBondContact OG1-NE1 3.3Å |
| 490 | V | 96 | Very high | 85.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.3 | -178.8 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | I471 S472 A473 L496 A527 V530 I541 | I471-V490 CarbonylContact C-O 3.59Å; I471-V490 WeakPolarHBondContact CA-O 3.49Å; I471-V490 WeakPolarHBondContact CG2-O 3.35Å; S472-V490 PolarHBondContact N-O 3.13Å; S472-V490 PolarHBondContact OG-O 3.17Å; A473-V490 PolarHBondContact N-O 3.18Å; A473-V490 PolarHBondContact O-N 3.45Å; V490-L496 HydrophobicContact CG2-CB 4.21Å; V490-L496 HydrophobicContact CG2-CD1 3.55Å; V490-A527 VanDerWaalsContact CG1-C 3.4Å; V490-A527 HydrophobicContact CG1-CB 3.12Å; V490-A527 WeakPolarHBondContact CG1-O 3.39Å; V490-V530 HydrophobicContact CB-CB 4.3Å; V490-V530 HydrophobicContact CB-CG1 4.22Å; V490-V530 HydrophobicContact CG2-CB 3.6Å; V490-V530 HydrophobicContact CG2-CG1 3.88Å; V490-V530 HydrophobicContact CG2-CG2 4.09Å; V490-I541 HydrophobicContact CG2-CG2 4.42Å |
| 491 | S | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 162.7 | -173.5 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | H467 S469 P470 D493 C494 T495 A527 | H467-S491 WeakPolarHBondContact ND1-CB 3.28Å; S469-S491 PolarHBondContact O-OG 3.34Å; S469-S491 PolarHBondContact OG-OG 3.24Å; P470-S491 WeakPolarHBondContact O-CA 3.31Å; P470-S491 WeakPolarHBondContact O-CB 3.46Å; P470-S491 PolarHBondContact O-OG 2.87Å; S491-D493 VanDerWaalsContact CB-OD1 3.24Å; S491-D493 WeakPolarHBondContact CB-OD1 3.38Å; S491-D493 PolarHBondContact O-N 3.43Å; S491-D493 PolarHBondContact OG-N 2.84Å; S491-D493 PolarHBondContact OG-OD1 2.92Å; S491-C494 PolarHBondContact O-N 3.39Å; S491-T495 PolarHBondContact N-O 2.69Å; S491-A527 PolarHBondContact O-N 3.03Å |
| 492 | W | 95.1 | Very high | 87.4 | Confident | 118 Ų | 118 | 29.4 Ų | 29.4 | 45% | 0.447 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 1.4 | 172.1 | -56.3 | -14.7 | 0 | 0 | 0 | 113.3 | S469 P470 C494 D526 | S469-W492 VanDerWaalsContact OG-CA 3.29Å; S469-W492 WeakPolarHBondContact OG-CA 3.48Å; S469-W492 WeakPolarHBondContact OG-CB 3.4Å; S469-W492 PolarHBondContact OG-N 3.23Å; P470-W492 HydrophobicContact CB-CD2 4.46Å; P470-W492 HydrophobicContact CB-CE3 4.24Å; P470-W492 HydrophobicContact CB-CZ3 4.44Å; P470-W492 HydrophobicContact CG-CD2 4.49Å; P470-W492 HydrophobicContact CG-CE3 3.83Å; P470-W492 HydrophobicContact CG-CZ3 3.97Å; P470-W492 PolarHBondContact O-N 2.83Å; W492-C494 PolarHBondContact O-N 3.31Å; W492-D526 HydrophobicContact CB-CB 4.16Å; W492-D526 HydrophobicContact CG-CB 4.47Å |
| 493 | D | 94.4 | Very high | 87.9 | Confident | 27 Ų | 27 | 27.8 Ų | 27.8 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 11.7 | 173.8 | 64.8 | 6.1 | 0 | 0 | 0 | 111.7 | H467 T468 S469 S491 T495 | H467-D493 VanDerWaalsContact CA-OD2 3.29Å; H467-D493 WeakPolarHBondContact CA-OD2 3.39Å; H467-D493 IonicContact CE1-OD1 3.71Å; H467-D493 IonicContact CE1-OD2 2.93Å; H467-D493 IonicContact CG-OD2 3.96Å; H467-D493 IonicContact ND1-OD1 2.74Å; H467-D493 PolarHBondContact ND1-OD1 2.87Å; H467-D493 IonicContact ND1-OD2 3.1Å; H467-D493 PolarHBondContact ND1-OD2 2.81Å; T468-D493 PolarHBondContact N-OD2 3.27Å; T468-D493 WeakPolarHBondContact OG1-CB 3.46Å; S469-D493 PolarHBondContact OG-N 3.35Å; S491-D493 VanDerWaalsContact CB-OD1 3.24Å; S491-D493 WeakPolarHBondContact CB-OD1 3.38Å; S491-D493 PolarHBondContact O-N 3.43Å; S491-D493 PolarHBondContact OG-N 2.84Å; S491-D493 PolarHBondContact OG-OD1 2.92Å; D493-T495 WeakPolarHBondContact O-CG2 3.1Å; D493-T495 PolarHBondContact O-N 2.86Å; D493-T495 VanDerWaalsContact OD1-CB 3.32Å; D493-T495 WeakPolarHBondContact OD1-CB 3.2Å; D493-T495 PolarHBondContact OD1-N 2.87Å; D493-T495 PolarHBondContact OD1-OG1 3.07Å; D493-T495 PolarHBondContact OD2-OG1 2.84Å |
| 494 | C | 95.8 | Very high | 87.5 | Confident | 28 Ų | 28 | 26.4 Ų | 26.4 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 63.1 | 25 | -175.2 | -52.3 | 0 | 0 | 0 | 0 | 113 | S491 W492 N522 F523 D526 | S491-C494 PolarHBondContact O-N 3.39Å; W492-C494 PolarHBondContact O-N 3.31Å; C494-N522 CarbonylContact O-C 3.56Å; C494-F523 WeakPolarHBondContact CB-O 3.46Å; C494-F523 PolarHBondContact O-N 3.44Å; C494-D526 PolarHBondContact SG-N 3.02Å; C494-D526 VanDerWaalsContact SG-N 3.39Å |
| 495 | T | 95.7 | Very high | 86.4 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.6 | -179.6 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | H467 S491 D493 V520 V521 N522 | H467-T495 PolarHBondContact CE1-OG1 2.94Å; H467-T495 PolarHBondContact ND1-OG1 2.82Å; S491-T495 PolarHBondContact N-O 2.69Å; D493-T495 WeakPolarHBondContact O-CG2 3.1Å; D493-T495 PolarHBondContact O-N 2.86Å; D493-T495 VanDerWaalsContact OD1-CB 3.32Å; D493-T495 WeakPolarHBondContact OD1-CB 3.2Å; D493-T495 PolarHBondContact OD1-N 2.87Å; D493-T495 PolarHBondContact OD1-OG1 3.07Å; D493-T495 PolarHBondContact OD2-OG1 2.84Å; T495-V520 HydrophobicContact CG2-CG1 4.45Å; T495-V521 CarbonylContact C-O 3.56Å; T495-V521 VanDerWaalsContact CA-O 3.25Å; T495-V521 WeakPolarHBondContact CA-O 3.43Å; T495-N522 VanDerWaalsContact CG2-OD1 3.25Å; T495-N522 WeakPolarHBondContact CG2-OD1 3.23Å |
| 496 | L | 95.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.2 | 157.9 | 165.6 | 82.3 | 0 | 0 | 0 | 107.7 | A488 T489 V490 L498 V520 V521 F523 V530 L539 I541 Y551 | A488-L496 HydrophobicContact CB-CD1 3.97Å; T489-L496 CarbonylContact O-C 3.58Å; T489-L496 WeakPolarHBondContact O-CA 3.46Å; V490-L496 HydrophobicContact CG2-CB 4.21Å; V490-L496 HydrophobicContact CG2-CD1 3.55Å; L496-L498 HydrophobicContact CD1-CD2 4.31Å; L496-L498 HydrophobicContact CD2-CD2 4.28Å; L496-L498 HydrophobicContact CG-CD2 4.33Å; L496-V520 WeakPolarHBondContact O-CA 3.41Å; L496-V521 HydrophobicContact CB-CB 4.24Å; L496-V521 HydrophobicContact CD2-CB 4.31Å; L496-V521 HydrophobicContact CD2-CG2 4.11Å; L496-V521 PolarHBondContact N-O 3.16Å; L496-V521 PolarHBondContact O-N 3.35Å; L496-F523 HydrophobicContact CB-CE2 3.59Å; L496-F523 HydrophobicContact CB-CZ 3.97Å; L496-V530 HydrophobicContact CD1-CG2 4.17Å; L496-L539 HydrophobicContact CD2-CD1 4.2Å; L496-I541 HydrophobicContact CB-CD1 4.38Å; L496-I541 HydrophobicContact CD1-CD1 4.31Å; L496-I541 HydrophobicContact CD2-CD1 3.76Å; L496-I541 HydrophobicContact CG-CD1 4.38Å; L496-Y551 HydrophobicContact CD2-CD1 4.04Å; L496-Y551 HydrophobicContact CD2-CE1 4.36Å |
| 497 | R | 94.9 | Very high | 82.8 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.1 | 170.9 | -62.2 | -174.1 | 178 | -147.7 | 0.6 | 110.6 | G466 A488 T489 W499 E519 V520 | G466-R497 VanDerWaalsContact C-NH2 3.33Å; G466-R497 PolarHBondContact O-NH1 3.21Å; G466-R497 PolarHBondContact O-NH2 3.45Å; A488-R497 CarbonylContact C-O 3.56Å; A488-R497 WeakPolarHBondContact CA-O 3.32Å; T489-R497 PolarHBondContact N-O 3.2Å; T489-R497 PolarHBondContact O-N 3.46Å; R497-W499 HydrophobicContact CB-CZ2 3.96Å; R497-W499 HydrophobicContact CG-CZ2 4.43Å; R497-E519 WeakPolarHBondContact CA-O 3.37Å; R497-V520 HydrophobicContact CG-CG1 4.14Å; R497-V520 HydrophobicContact CG-CG2 4.08Å |
| 498 | L | 94 | Very high | 80.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.2 | 171.3 | -57.4 | -177.9 | 0 | 0 | 0 | 108.3 | A488 L496 K518 E519 L539 Y551 P553 | A488-L498 HydrophobicContact CB-CD2 3.75Å; L496-L498 HydrophobicContact CD1-CD2 4.31Å; L496-L498 HydrophobicContact CD2-CD2 4.28Å; L496-L498 HydrophobicContact CG-CD2 4.33Å; L498-K518 HydrophobicContact CB-CB 4.36Å; L498-K518 WeakPolarHBondContact O-CB 3.23Å; L498-K518 PolarHBondContact O-N 2.92Å; L498-E519 HydrophobicContact CB-CB 4.31Å; L498-E519 HydrophobicContact CD1-CB 4.24Å; L498-E519 HydrophobicContact CG-CB 4.47Å; L498-E519 PolarHBondContact N-O 3.32Å; L498-E519 PolarHBondContact O-N 3.15Å; L498-L539 HydrophobicContact CD2-CD1 3.83Å; L498-Y551 HydrophobicContact CD1-CE1 4.23Å; L498-P553 HydrophobicContact CD1-CB 3.66Å |
| 499 | W | 91.4 | Very high | 78.2 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134 | -176.4 | -54.6 | 84.7 | 0 | 0 | 0 | 109.9 | L464 T465 E486 L487 T489 R497 V501 G515 T517 | L464-W499 HydrophobicContact CB-CD2 4.17Å; L464-W499 HydrophobicContact CB-CE3 4.12Å; L464-W499 HydrophobicContact CB-CH2 4.12Å; L464-W499 HydrophobicContact CB-CZ2 4.19Å; L464-W499 HydrophobicContact CB-CZ3 4.07Å; L464-W499 HydrophobicContact CD1-CB 4.27Å; L464-W499 HydrophobicContact CD1-CD2 4.02Å; L464-W499 HydrophobicContact CD1-CE3 4.49Å; L464-W499 HydrophobicContact CD1-CG 3.9Å; L464-W499 HydrophobicContact CD2-CD2 4.22Å; L464-W499 HydrophobicContact CD2-CE3 3.88Å; L464-W499 HydrophobicContact CD2-CZ3 4.39Å; L464-W499 HydrophobicContact CG-CD2 4.37Å; L464-W499 HydrophobicContact CG-CE3 4.38Å; T465-W499 VanDerWaalsContact O-CH2 3.3Å; T465-W499 WeakPolarHBondContact O-CH2 3.01Å; E486-W499 CarbonylContact C-O 3.55Å; E486-W499 VanDerWaalsContact CA-O 3.31Å; E486-W499 WeakPolarHBondContact CA-O 3.33Å; L487-W499 HydrophobicContact CB-CB 4.32Å; L487-W499 PolarHBondContact N-O 2.87Å; L487-W499 PolarHBondContact O-N 3.14Å; T489-W499 VanDerWaalsContact CG2-NE1 3.31Å; T489-W499 PolarHBondContact OG1-NE1 3.3Å; R497-W499 HydrophobicContact CB-CZ2 3.96Å; R497-W499 HydrophobicContact CG-CZ2 4.43Å; W499-V501 HydrophobicContact CB-CG2 4.27Å; W499-G515 WeakPolarHBondContact CZ3-O 3.3Å; W499-T517 HydrophobicContact CD2-CG2 4.31Å; W499-T517 HydrophobicContact CE3-CG2 3.67Å; W499-T517 HydrophobicContact CH2-CG2 3.43Å; W499-T517 VanDerWaalsContact CH2-CG2 3.43Å; W499-T517 HydrophobicContact CZ2-CG2 4.09Å; W499-T517 HydrophobicContact CZ3-CG2 3.21Å |
| 500 | D | 87.7 | Confident | 76 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.6 | 168.1 | -168.7 | -5.8 | 0 | 0 | 0 | 109.5 | T502 G515 L516 | D500-T502 WeakPolarHBondContact OD1-CB 3.41Å; D500-T502 WeakPolarHBondContact OD1-CG2 3.32Å; D500-T502 PolarHBondContact OD1-N 3.17Å; D500-T502 VanDerWaalsContact OD1-N 3.14Å; D500-T502 PolarHBondContact OD1-OG1 3.33Å; D500-T502 PolarHBondContact OD2-OG1 3.46Å; D500-G515 WeakPolarHBondContact O-CA 3.25Å; D500-G515 PolarHBondContact O-N 2.75Å; D500-G515 VanDerWaalsContact O-N 3.09Å; D500-L516 PolarHBondContact N-O 3.44Å |
| 501 | V | 83.8 | Confident | 73.9 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | trans | -107.7 | 10.5 | -174.9 | -164 | 0 | 0 | 0 | 0 | 111 | L439 V452 I485 L487 W499 G503 M514 | L439-V501 HydrophobicContact CD1-CG1 4.23Å; V452-V501 HydrophobicContact CG1-CG1 4.14Å; I485-V501 HydrophobicContact CG2-CB 4.34Å; I485-V501 PolarHBondContact O-N 3.37Å; L487-V501 HydrophobicContact CB-CG2 3.93Å; W499-V501 HydrophobicContact CB-CG2 4.27Å; V501-G503 PolarHBondContact O-N 3.35Å; V501-M514 HydrophobicContact CG1-CE 4.06Å; V501-M514 WeakPolarHBondContact O-CE 3.32Å | ||
| 502 | T | 74.2 | Confident | 71.8 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -68.6 | -34.1 | -176.4 | 51.3 | 0 | 0 | 0 | 0 | 114 | I483 D484 I485 D500 | I483-T502 VanDerWaalsContact O-CG2 3.28Å; I483-T502 WeakPolarHBondContact O-CG2 3.35Å; D484-T502 HydrophobicContact CB-CG2 3.96Å; I485-T502 HydrophobicContact CB-CG2 4.3Å; D500-T502 WeakPolarHBondContact OD1-CB 3.41Å; D500-T502 WeakPolarHBondContact OD1-CG2 3.32Å; D500-T502 PolarHBondContact OD1-N 3.17Å; D500-T502 VanDerWaalsContact OD1-N 3.14Å; D500-T502 PolarHBondContact OD1-OG1 3.33Å; D500-T502 PolarHBondContact OD2-OG1 3.46Å |
| 503 | G | 62.5 | Low | 69.9 | Low | 13 Ų | 13 | 64.1 Ų | 64.1 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | trans | 67.4 | 133.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V501 L505 | V501-G503 PolarHBondContact O-N 3.35Å; G503-L505 PolarHBondContact O-N 3Å | ||
| 504 | N | 53.2 | Low | 68.4 | Low | 95 Ų | 95 | 64.6 Ų | 64.6 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | trans | -66.9 | 105.5 | 171.8 | -80.4 | -14.4 | 0 | 0 | 0 | 108.6 | T506 D507 | N504-T506 PolarHBondContact O-N 2.92Å; N504-D507 PolarHBondContact O-N 2.9Å | ||
| 505 | L | 47.9 | Very low | 67.1 | Low | 155 Ų | 155 | 63.9 Ų | 63.9 | 81% | 0.812 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -15.6 | 172.1 | -88.8 | 119.6 | 0 | 0 | 0 | 113.3 | G503 | G503-L505 PolarHBondContact O-N 3Š|
| 506 | T | 48.5 | Very low | 66.2 | Low | 119 Ų | 119 | 68.5 Ų | 68.5 | 73% | 0.73 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.8 | -177.8 | 57.4 | 0 | 0 | 0 | 0 | 114 | N504 | N504-T506 PolarHBondContact O-N 2.92Š|
| 507 | D | 46.7 | Very low | 65.6 | Low | 82 Ų | 82 | 71.8 Ų | 71.8 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | trans | -125.8 | 78.8 | 179.6 | -74.3 | -6.1 | 0 | 0 | 0 | 110.7 | N504 N509 N510 | N504-D507 PolarHBondContact O-N 2.9Å; D507-N509 PolarHBondContact O-N 3.39Å; D507-N510 HydrophobicContact CB-CB 4.1Å; D507-N510 PolarHBondContact O-N 2.48Å | ||
| 508 | E | 47.6 | Very low | 65 | Low | 183 Ų | 183 | 75 Ų | 75 | 86% | 0.855 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -15.8 | 175.4 | -67.7 | -167.5 | 156.4 | 0 | 0 | 113.8 | ||
| 509 | N | 45.5 | Very low | 64.8 | Low | 160 Ų | 160 | 77.8 Ų | 77.8 | 86% | 0.856 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -5.6 | -178.6 | -66.3 | -38.3 | 0 | 0 | 0 | 114.8 | D507 | D507-N509 PolarHBondContact O-N 3.39Š|
| 510 | N | 49.5 | Very low | 64.9 | Low | 80 Ų | 80 | 80.6 Ų | 80.6 | 43% | 0.428 | 44% | 0.442 | S | S | . | . | trans | -112.5 | 77.4 | 177.5 | -82.1 | -29.2 | 0 | 0 | 0 | 111.2 | D507 S512 S513 | D507-N510 HydrophobicContact CB-CB 4.1Å; D507-N510 PolarHBondContact O-N 2.48Å; N510-S512 PolarHBondContact O-N 2.82Å; N510-S513 PolarHBondContact O-N 3.06Å; N510-S513 VanDerWaalsContact O-N 3.07Å; N510-S513 PolarHBondContact O-OG 3.1Å | ||
| 511 | L | 51.2 | Low | 65.2 | Low | 128 Ų | 128 | 79.1 Ų | 79.1 | 67% | 0.67 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -55.7 | -17.9 | 167.8 | -130.1 | 82.4 | 0 | 0 | 0 | 112.7 | S513 | L511-S513 PolarHBondContact O-N 3.11Š|
| 512 | S | 52.8 | Low | 65.7 | Low | 101 Ų | 101 | 84.8 Ų | 84.8 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -69 | -13.7 | 175.9 | 52 | 0 | 0 | 0 | 0 | 114.6 | N510 | N510-S512 PolarHBondContact O-N 2.82Š|
| 513 | S | 55.3 | Low | 66.6 | Low | 25 Ų | 25 | 84.5 Ų | 84.5 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -81.6 | -14.1 | 179.2 | 64.8 | 0 | 0 | 0 | 0 | 114 | N510 L511 | N510-S513 PolarHBondContact O-N 3.06Å; N510-S513 VanDerWaalsContact O-N 3.07Å; N510-S513 PolarHBondContact O-OG 3.1Å; L511-S513 PolarHBondContact O-N 3.11Å |
| 514 | M | 63.4 | Low | 68 | Low | 37 Ų | 37 | 88.5 Ų | 88.5 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 124.1 | 177.7 | -75.1 | -169.9 | 83.1 | 0 | 0 | 111.6 | L461 T462 V501 | L461-M514 HydrophobicContact CD1-CE 4.39Å; T462-M514 HydrophobicContact CG2-CB 4.37Å; T462-M514 PolarHBondContact OG1-O 3.35Å; V501-M514 HydrophobicContact CG1-CE 4.06Å; V501-M514 WeakPolarHBondContact O-CE 3.32Å |
| 515 | G | 67.9 | Low | 69.9 | Low | 14 Ų | 14 | 85.6 Ų | 85.6 | 14% | 0.144 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | 32.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W499 D500 | W499-G515 WeakPolarHBondContact CZ3-O 3.3Å; D500-G515 WeakPolarHBondContact O-CA 3.25Å; D500-G515 PolarHBondContact O-N 2.75Å; D500-G515 VanDerWaalsContact O-N 3.09Å |
| 516 | L | 77.3 | Confident | 72.1 | Confident | 109 Ų | 109 | 80.9 Ų | 80.9 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 137.5 | 168.6 | -71.7 | 165.7 | 0 | 0 | 0 | 109.6 | D500 K518 | D500-L516 PolarHBondContact N-O 3.44Å; L516-K518 PolarHBondContact O-N 3.37Å |
| 517 | T | 81.7 | Confident | 74.4 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 113.4 | 170.2 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | W499 | W499-T517 HydrophobicContact CD2-CG2 4.31Å; W499-T517 HydrophobicContact CE3-CG2 3.67Å; W499-T517 HydrophobicContact CH2-CG2 3.43Å; W499-T517 VanDerWaalsContact CH2-CG2 3.43Å; W499-T517 HydrophobicContact CZ2-CG2 4.09Å; W499-T517 HydrophobicContact CZ3-CG2 3.21Å |
| 518 | K | 83.8 | Confident | 76.6 | Confident | 108 Ų | 108 | 72.3 Ų | 72.3 | 47% | 0.47 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -47.2 | 173 | 179.2 | -177 | 164.9 | -159.9 | 0 | 110.5 | E486 L498 L516 P553 | E486-K518 WeakPolarHBondContact OE1-CD 3.23Å; E486-K518 IonicContact OE1-NZ 2.92Å; E486-K518 PolarHBondContact OE1-NZ 3.22Å; E486-K518 IonicContact OE2-NZ 2.76Å; L498-K518 HydrophobicContact CB-CB 4.36Å; L498-K518 WeakPolarHBondContact O-CB 3.23Å; L498-K518 PolarHBondContact O-N 2.92Å; L516-K518 PolarHBondContact O-N 3.37Å; K518-P553 PolarHBondContact NZ-O 3.28Å |
| 519 | E | 89.7 | Confident | 78.9 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 149.9 | -177 | -167.1 | 170 | -147.6 | 0 | 0 | 111.7 | R497 L498 V521 Y551 | R497-E519 WeakPolarHBondContact CA-O 3.37Å; L498-E519 HydrophobicContact CB-CB 4.31Å; L498-E519 HydrophobicContact CD1-CB 4.24Å; L498-E519 HydrophobicContact CG-CB 4.47Å; L498-E519 PolarHBondContact N-O 3.32Å; L498-E519 PolarHBondContact O-N 3.15Å; E519-V521 HydrophobicContact CG-CG2 4.41Å; E519-Y551 PolarHBondContact OE1-OH 2.79Å; E519-Y551 PolarHBondContact OE2-OH 3.31Å |
| 520 | V | 93.4 | Very high | 81.4 | Confident | 65 Ų | 65 | 57 Ų | 57 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.9 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | T495 L496 R497 | T495-V520 HydrophobicContact CG2-CG1 4.45Å; L496-V520 WeakPolarHBondContact O-CA 3.41Å; R497-V520 HydrophobicContact CG-CG1 4.14Å; R497-V520 HydrophobicContact CG-CG2 4.08Å |
| 521 | V | 94.2 | Very high | 83.5 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.8 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | T495 L496 E519 F523 Y551 | T495-V521 CarbonylContact C-O 3.56Å; T495-V521 VanDerWaalsContact CA-O 3.25Å; T495-V521 WeakPolarHBondContact CA-O 3.43Å; L496-V521 HydrophobicContact CB-CB 4.24Å; L496-V521 HydrophobicContact CD2-CB 4.31Å; L496-V521 HydrophobicContact CD2-CG2 4.11Å; L496-V521 PolarHBondContact N-O 3.16Å; L496-V521 PolarHBondContact O-N 3.35Å; E519-V521 HydrophobicContact CG-CG2 4.41Å; V521-F523 HydrophobicContact CB-CZ 4.32Å; V521-F523 HydrophobicContact CG1-CE1 3.91Å; V521-F523 HydrophobicContact CG1-CZ 3.82Å; V521-Y551 HydrophobicContact CG1-CD2 4.5Å; V521-Y551 HydrophobicContact CG1-CE2 4.2Å; V521-Y551 HydrophobicContact CG2-CD2 4.43Å; V521-Y551 HydrophobicContact CG2-CE1 3.95Å; V521-Y551 HydrophobicContact CG2-CE2 3.69Å; V521-Y551 VanDerWaalsContact CG2-OH 3.28Å; V521-Y551 WeakPolarHBondContact CG2-OH 3.43Å |
| 522 | N | 94.4 | Very high | 85.5 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.5 | -179.5 | -60.3 | -35.3 | 0 | 0 | 0 | 110.6 | C494 T495 | C494-N522 CarbonylContact O-C 3.56Å; T495-N522 VanDerWaalsContact CG2-OD1 3.25Å; T495-N522 WeakPolarHBondContact CG2-OD1 3.23Å |
| 523 | F | 93.2 | Very high | 87.3 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | trans | -112.3 | 170.1 | 176.1 | -56.4 | -66.8 | 0 | 0 | 0 | 111.3 | C494 L496 V521 C525 A527 I541 L543 V549 | C494-F523 WeakPolarHBondContact CB-O 3.46Å; C494-F523 PolarHBondContact O-N 3.44Å; L496-F523 HydrophobicContact CB-CE2 3.59Å; L496-F523 HydrophobicContact CB-CZ 3.97Å; V521-F523 HydrophobicContact CB-CZ 4.32Å; V521-F523 HydrophobicContact CG1-CE1 3.91Å; V521-F523 HydrophobicContact CG1-CZ 3.82Å; F523-C525 VanDerWaalsContact C-N 3.35Å; F523-A527 HydrophobicContact CD2-CB 4.16Å; F523-I541 HydrophobicContact CE1-CD1 4.34Å; F523-I541 HydrophobicContact CE2-CD1 4.13Å; F523-I541 HydrophobicContact CE2-CG2 4.26Å; F523-I541 HydrophobicContact CZ-CD1 3.5Å; F523-I541 VanDerWaalsContact CZ-CD1 3.5Å; F523-I541 HydrophobicContact CZ-CG2 4.42Å; F523-L543 HydrophobicContact CB-CD1 4.37Å; F523-L543 HydrophobicContact CB-CD2 3.98Å; F523-L543 HydrophobicContact CD1-CD2 4.38Å; F523-L543 HydrophobicContact CD2-CD2 4.12Å; F523-L543 HydrophobicContact CG-CD2 3.89Å; F523-V549 HydrophobicContact CE1-CB 4.45Å; F523-V549 HydrophobicContact CE1-CG1 4.1Å | ||
| 524 | S | 90.7 | Very high | 88.5 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -78.3 | -18.7 | 177.6 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 525 | C | 93.3 | Very high | 89.2 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -145.2 | 162.4 | -172.6 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | F523 A527 L544 | F523-C525 VanDerWaalsContact C-N 3.35Å; C525-A527 PolarHBondContact O-N 3.25Å; C525-L544 HydrophobicContact CB-CB 4.34Å |
| 526 | D | 94.9 | Very high | 89.9 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -53.2 | 132.5 | 176.3 | -54.1 | 6 | 0 | 0 | 0 | 110.3 | W492 C494 L543 L544 | W492-D526 HydrophobicContact CB-CB 4.16Å; W492-D526 HydrophobicContact CG-CB 4.47Å; C494-D526 PolarHBondContact SG-N 3.02Å; C494-D526 VanDerWaalsContact SG-N 3.39Å; D526-L543 CarbonylContact O-C 3.52Å; D526-L544 HydrophobicContact CB-CB 4.11Å; D526-L544 HydrophobicContact CB-CD2 4.26Å; D526-L544 WeakPolarHBondContact O-CB 3.01Å; D526-L544 PolarHBondContact O-N 2.92Å | ||
| 527 | A | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S472 V490 S491 F523 C525 I541 L543 | S472-A527 PolarHBondContact OG-O 3.45Å; V490-A527 VanDerWaalsContact CG1-C 3.4Å; V490-A527 HydrophobicContact CG1-CB 3.12Å; V490-A527 WeakPolarHBondContact CG1-O 3.39Å; S491-A527 PolarHBondContact O-N 3.03Å; F523-A527 HydrophobicContact CD2-CB 4.16Å; C525-A527 PolarHBondContact O-N 3.25Å; A527-I541 HydrophobicContact CB-CG2 3.97Å; A527-L543 HydrophobicContact CB-CD2 3.65Å |
| 528 | L | 94.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -50.4 | -165.1 | -60.5 | 172.4 | 0 | 0 | 0 | 111.9 | S472 A473 S542 L544 K589 F590 | S472-L528 WeakPolarHBondContact CB-O 3.33Å; S472-L528 PolarHBondContact OG-O 2.87Å; A473-L528 WeakPolarHBondContact CB-O 3.43Å; L528-S542 PolarHBondContact N-O 2.79Å; L528-L544 HydrophobicContact CD2-CD1 4.4Å; L528-K589 HydrophobicContact CD1-CB 4.01Å; L528-K589 HydrophobicContact CD1-CD 3.7Å; L528-K589 HydrophobicContact CD1-CG 4Å; L528-F590 WeakPolarHBondContact CD1-O 3.47Å |
| 529 | C | 95.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.3 | -176.6 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | I541 S542 Q591 I593 | C529-I541 WeakPolarHBondContact O-CA 3.43Å; C529-S542 VanDerWaalsContact CB-OG 3.31Å; C529-S542 WeakPolarHBondContact CB-OG 3.29Å; C529-S542 PolarHBondContact N-OG 3.18Å; C529-S542 PolarHBondContact O-N 3.42Å; C529-Q591 WeakPolarHBondContact CB-O 3.42Å; C529-I593 HydrophobicContact CB-CG1 4.2Å |
| 530 | V | 96.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134.4 | 176.4 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | A473 A475 A488 V490 L496 L539 A540 I541 | A473-V530 HydrophobicContact CB-CG1 3.99Å; A475-V530 HydrophobicContact CB-CG1 4.2Å; A488-V530 HydrophobicContact CB-CG2 4.12Å; V490-V530 HydrophobicContact CB-CB 4.3Å; V490-V530 HydrophobicContact CB-CG1 4.22Å; V490-V530 HydrophobicContact CG2-CB 3.6Å; V490-V530 HydrophobicContact CG2-CG1 3.88Å; V490-V530 HydrophobicContact CG2-CG2 4.09Å; L496-V530 HydrophobicContact CD1-CG2 4.17Å; V530-L539 HydrophobicContact CG2-CD2 3.77Å; V530-A540 WeakPolarHBondContact CA-O 3.45Å; V530-I541 HydrophobicContact CG2-CG1 4.09Å |
| 531 | V | 95.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 33 Ų | 33 | 21% | 0.212 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.8 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L539 A540 I593 Y595 | V531-L539 WeakPolarHBondContact O-CA 3.26Å; V531-A540 PolarHBondContact N-O 3.43Å; V531-A540 PolarHBondContact O-N 2.93Å; V531-I593 HydrophobicContact CG2-CG1 3.98Å; V531-I593 VanDerWaalsContact CG2-O 3.26Å; V531-I593 WeakPolarHBondContact CG2-O 3.28Å; V531-Y595 HydrophobicContact CB-CD2 4.41Å; V531-Y595 HydrophobicContact CG1-CD2 3.96Å |
| 532 | Y | 92.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 140.8 | 169.2 | -79.4 | -87.2 | 0 | 0 | 0 | 111.2 | A475 F476 N477 A488 L539 P553 | A475-Y532 HydrophobicContact CB-CD2 3.76Å; A475-Y532 HydrophobicContact CB-CE2 4.11Å; A475-Y532 WeakPolarHBondContact O-CE2 3.14Å; F476-Y532 VanDerWaalsContact O-CD2 3.23Å; F476-Y532 WeakPolarHBondContact O-CD2 3.14Å; N477-Y532 HydrophobicContact CB-CD1 4.21Å; N477-Y532 HydrophobicContact CB-CE1 3.71Å; N477-Y532 HydrophobicContact CB-CE2 4.16Å; A488-Y532 HydrophobicContact CB-CE2 3.61Å; A488-Y532 WeakPolarHBondContact CB-OH 3.36Å; Y532-L539 HydrophobicContact CD1-CD2 3.44Å; Y532-L539 VanDerWaalsContact CD1-CD2 3.44Å; Y532-L539 HydrophobicContact CD1-CG 3.83Å; Y532-L539 HydrophobicContact CD2-CD2 3.54Å; Y532-L539 HydrophobicContact CE1-CD1 3.99Å; Y532-L539 HydrophobicContact CE1-CD2 3.5Å; Y532-L539 HydrophobicContact CE1-CG 3.67Å; Y532-L539 HydrophobicContact CE2-CD2 3.59Å; Y532-L539 HydrophobicContact CG-CD2 3.46Å; Y532-L539 VanDerWaalsContact CG-CD2 3.46Å; Y532-L539 HydrophobicContact CG-CG 4.35Å; Y532-P553 HydrophobicContact CE1-CG 4.11Å |
| 533 | R | 89.9 | Confident | 91.8 | Very high | 30 Ų | 30 | 26.3 Ų | 26.3 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | trans | -64.7 | 150.8 | 161.8 | -175.2 | 175.2 | 149 | 167.2 | -2 | 109.1 | P478 D535 G536 Q538 Y595 | P478-R533 VanDerWaalsContact CG-O 3.28Å; P478-R533 WeakPolarHBondContact CG-O 3.39Å; R533-D535 IonicContact CZ-OD2 3.34Å; R533-D535 IonicContact NE-OD2 2.81Å; R533-D535 PolarHBondContact NE-OD2 3.26Å; R533-D535 IonicContact NH2-OD2 2.67Å; R533-D535 PolarHBondContact NH2-OD2 2.87Å; R533-D535 PolarHBondContact O-N 3.03Å; R533-G536 WeakPolarHBondContact O-CA 3.35Å; R533-G536 PolarHBondContact O-N 2.67Å; R533-Q538 HydrophobicContact CB-CB 4.07Å; R533-Q538 WeakPolarHBondContact CB-O 3.4Å; R533-Q538 PolarHBondContact N-O 3.46Å; R533-Y595 HydrophobicContact CB-CD1 4.35Å; R533-Y595 HydrophobicContact CB-CD2 4.14Å; R533-Y595 HydrophobicContact CB-CE1 4.21Å; R533-Y595 HydrophobicContact CB-CE2 4.02Å; R533-Y595 HydrophobicContact CB-CG 4.29Å; R533-Y595 HydrophobicContact CG-CD1 4.34Å; R533-Y595 HydrophobicContact CG-CE1 4.41Å | ||
| 534 | G | 80.9 | Confident | 91.9 | Very high | 54 Ų | 54 | 27.8 Ų | 27.8 | 56% | 0.557 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -29.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P478 | P478-G534 WeakPolarHBondContact CG-O 3.42Š|
| 535 | D | 77.5 | Confident | 91.9 | Very high | 71 Ų | 71 | 25.3 Ų | 25.3 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.6 | 177.3 | -50.5 | -43.3 | 0 | 0 | 0 | 114.1 | A479 R533 K537 | A479-D535 WeakPolarHBondContact CB-O 3.23Å; R533-D535 IonicContact CZ-OD2 3.34Å; R533-D535 IonicContact NE-OD2 2.81Å; R533-D535 PolarHBondContact NE-OD2 3.26Å; R533-D535 IonicContact NH2-OD2 2.67Å; R533-D535 PolarHBondContact NH2-OD2 2.87Å; R533-D535 PolarHBondContact O-N 3.03Å; D535-K537 PolarHBondContact O-N 3.3Å |
| 536 | G | 83.6 | Confident | 91.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 64.5 | -0.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117 | N477 R533 Q538 P553 | N477-G536 PolarHBondContact ND2-O 3.37Å; N477-G536 WeakPolarHBondContact OD1-CA 3.49Å; R533-G536 WeakPolarHBondContact O-CA 3.35Å; R533-G536 PolarHBondContact O-N 2.67Å; G536-Q538 VanDerWaalsContact C-N 3.32Å; G536-P553 WeakPolarHBondContact O-CG 3.32Å |
| 537 | K | 84 | Confident | 91.7 | Very high | 55 Ų | 55 | 22.9 Ų | 22.9 | 24% | 0.239 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -82.2 | -6.4 | 176.6 | -58.1 | -179.2 | -171 | 174.6 | 0 | 114.1 | D535 D552 P553 E847 | D535-K537 PolarHBondContact O-N 3.3Å; K537-D552 VanDerWaalsContact O-OD1 3.12Å; K537-P553 WeakPolarHBondContact O-CD 3.5Å; K537-E847 IonicContact NZ-OE2 3.31Å; K537-E847 PolarHBondContact NZ-OE2 3.32Å |
| 538 | Q | 90.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 22.9 Ų | 22.9 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | trans | -143.7 | 137 | -177.5 | -165 | 179.8 | 20 | 0 | 0 | 110.5 | R533 G536 Y551 | R533-Q538 HydrophobicContact CB-CB 4.07Å; R533-Q538 WeakPolarHBondContact CB-O 3.4Å; R533-Q538 PolarHBondContact N-O 3.46Å; G536-Q538 VanDerWaalsContact C-N 3.32Å; Q538-Y551 CarbonylContact C-O 3.56Å; Q538-Y551 WeakPolarHBondContact CA-O 3.41Å | ||
| 539 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.1 | 172.6 | -79.4 | 169.5 | 0 | 0 | 0 | 109.1 | A488 L496 L498 V530 V531 Y532 F550 Y551 P553 | A488-L539 HydrophobicContact CB-CD1 4.3Å; A488-L539 HydrophobicContact CB-CD2 4.31Å; L496-L539 HydrophobicContact CD2-CD1 4.2Å; L498-L539 HydrophobicContact CD2-CD1 3.83Å; V530-L539 HydrophobicContact CG2-CD2 3.77Å; V531-L539 WeakPolarHBondContact O-CA 3.26Å; Y532-L539 HydrophobicContact CD1-CD2 3.44Å; Y532-L539 VanDerWaalsContact CD1-CD2 3.44Å; Y532-L539 HydrophobicContact CD1-CG 3.83Å; Y532-L539 HydrophobicContact CD2-CD2 3.54Å; Y532-L539 HydrophobicContact CE1-CD1 3.99Å; Y532-L539 HydrophobicContact CE1-CD2 3.5Å; Y532-L539 HydrophobicContact CE1-CG 3.67Å; Y532-L539 HydrophobicContact CE2-CD2 3.59Å; Y532-L539 HydrophobicContact CG-CD2 3.46Å; Y532-L539 VanDerWaalsContact CG-CD2 3.46Å; Y532-L539 HydrophobicContact CG-CG 4.35Å; L539-F550 CarbonylContact O-C 3.57Å; L539-F550 VanDerWaalsContact O-CA 3.27Å; L539-F550 WeakPolarHBondContact O-CA 3.36Å; L539-Y551 HydrophobicContact CD1-CD1 4.35Å; L539-Y551 PolarHBondContact N-O 3.05Å; L539-Y551 PolarHBondContact O-N 3.37Å; L539-P553 HydrophobicContact CD1-CB 4.13Å; L539-P553 HydrophobicContact CD1-CG 4.39Å |
| 540 | A | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | V530 V531 I548 V549 F550 I593 Y595 L602 | V530-A540 WeakPolarHBondContact CA-O 3.45Å; V531-A540 PolarHBondContact N-O 3.43Å; V531-A540 PolarHBondContact O-N 2.93Å; A540-I548 HydrophobicContact CB-CG2 4.27Å; A540-V549 CarbonylContact C-O 3.56Å; A540-V549 WeakPolarHBondContact CA-O 3.43Å; A540-F550 HydrophobicContact CB-CD1 3.97Å; A540-F550 HydrophobicContact CB-CE1 3.94Å; A540-I593 HydrophobicContact CB-CD1 3.84Å; A540-I593 WeakPolarHBondContact O-CD1 3.13Å; A540-Y595 HydrophobicContact CB-CE2 3.53Å; A540-Y595 WeakPolarHBondContact CB-OH 3.27Å; A540-L602 HydrophobicContact CB-CD1 3.39Å |
| 541 | I | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.4 | -174.9 | -58.7 | 155.7 | 0 | 0 | 0 | 108.2 | V490 L496 F523 A527 C529 V530 L543 I548 V549 | V490-I541 HydrophobicContact CG2-CG2 4.42Å; L496-I541 HydrophobicContact CB-CD1 4.38Å; L496-I541 HydrophobicContact CD1-CD1 4.31Å; L496-I541 HydrophobicContact CD2-CD1 3.76Å; L496-I541 HydrophobicContact CG-CD1 4.38Å; F523-I541 HydrophobicContact CE1-CD1 4.34Å; F523-I541 HydrophobicContact CE2-CD1 4.13Å; F523-I541 HydrophobicContact CE2-CG2 4.26Å; F523-I541 HydrophobicContact CZ-CD1 3.5Å; F523-I541 VanDerWaalsContact CZ-CD1 3.5Å; F523-I541 HydrophobicContact CZ-CG2 4.42Å; A527-I541 HydrophobicContact CB-CG2 3.97Å; C529-I541 WeakPolarHBondContact O-CA 3.43Å; V530-I541 HydrophobicContact CG2-CG1 4.09Å; I541-L543 HydrophobicContact CG2-CD2 4.17Å; I541-I548 CarbonylContact O-C 3.52Å; I541-I548 VanDerWaalsContact O-CA 3.31Å; I541-I548 WeakPolarHBondContact O-CA 3.48Å; I541-V549 PolarHBondContact N-O 3.3Å; I541-V549 PolarHBondContact O-N 3Å |
| 542 | S | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.9 | 174.2 | 72.3 | 0 | 0 | 0 | 0 | 111 | L528 C529 F590 | L528-S542 PolarHBondContact N-O 2.79Å; C529-S542 VanDerWaalsContact CB-OG 3.31Å; C529-S542 WeakPolarHBondContact CB-OG 3.29Å; C529-S542 PolarHBondContact N-OG 3.18Å; C529-S542 PolarHBondContact O-N 3.42Å; S542-F590 WeakPolarHBondContact CB-O 3.45Å; S542-F590 PolarHBondContact OG-O 3.32Å |
| 543 | L | 95.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 159.8 | 179.4 | -59.8 | -175.8 | 0 | 0 | 0 | 111.5 | F523 D526 A527 I541 N545 G546 N547 V549 | F523-L543 HydrophobicContact CB-CD1 4.37Å; F523-L543 HydrophobicContact CB-CD2 3.98Å; F523-L543 HydrophobicContact CD1-CD2 4.38Å; F523-L543 HydrophobicContact CD2-CD2 4.12Å; F523-L543 HydrophobicContact CG-CD2 3.89Å; D526-L543 CarbonylContact O-C 3.52Å; A527-L543 HydrophobicContact CB-CD2 3.65Å; I541-L543 HydrophobicContact CG2-CD2 4.17Å; L543-N545 WeakPolarHBondContact CB-OD1 3.23Å; L543-N545 PolarHBondContact O-N 3.2Å; L543-G546 PolarHBondContact O-N 2.87Å; L543-N547 HydrophobicContact CD1-CB 4.38Å; L543-N547 PolarHBondContact N-O 3.47Å; L543-V549 HydrophobicContact CD1-CG2 3.67Å; L543-V549 HydrophobicContact CG-CG2 4.14Å |
| 544 | L | 93.8 | Very high | 91.2 | Very high | 61 Ų | 61 | 23.5 Ų | 23.5 | 32% | 0.319 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.6 | 179.7 | -175.4 | 69 | 0 | 0 | 0 | 113.9 | C525 D526 L528 G546 K589 | C525-L544 HydrophobicContact CB-CB 4.34Å; D526-L544 HydrophobicContact CB-CB 4.11Å; D526-L544 HydrophobicContact CB-CD2 4.26Å; D526-L544 WeakPolarHBondContact O-CB 3.01Å; D526-L544 PolarHBondContact O-N 2.92Å; L528-L544 HydrophobicContact CD2-CD1 4.4Å; L544-G546 PolarHBondContact O-N 3.47Å; L544-K589 HydrophobicContact CD1-CD 3.46Å; L544-K589 VanDerWaalsContact CD1-CD 3.46Å |
| 545 | N | 90.8 | Very high | 91.5 | Very high | 46 Ų | 46 | 26.5 Ų | 26.5 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -0.8 | 178.1 | 63.7 | -2.4 | 0 | 0 | 0 | 114 | L543 N547 H565 | L543-N545 WeakPolarHBondContact CB-OD1 3.23Å; L543-N545 PolarHBondContact O-N 3.2Å; N545-N547 PolarHBondContact ND2-ND2 3.5Å; N545-N547 WeakPolarHBondContact OD1-CB 3.12Å; N545-N547 PolarHBondContact OD1-N 3.4Å; N545-N547 VanDerWaalsContact OD1-N 3.07Å; N545-H565 PolarHBondContact O-CD2 2.93Å |
| 546 | G | 89.5 | Confident | 91.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 89.8 | 2.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L543 L544 G564 F590 | L543-G546 PolarHBondContact O-N 2.87Å; L544-G546 PolarHBondContact O-N 3.47Å; G546-G564 PolarHBondContact O-N 2.91Å; G546-F590 WeakPolarHBondContact O-CD2 3.45Å; G546-F590 WeakPolarHBondContact O-CE2 3.32Å |
| 547 | N | 94.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 148.3 | 174.7 | -67.1 | -3 | 0 | 0 | 0 | 111.4 | L543 N545 I562 D563 | L543-N547 HydrophobicContact CD1-CB 4.38Å; L543-N547 PolarHBondContact N-O 3.47Å; N545-N547 PolarHBondContact ND2-ND2 3.5Å; N545-N547 WeakPolarHBondContact OD1-CB 3.12Å; N545-N547 PolarHBondContact OD1-N 3.4Å; N545-N547 VanDerWaalsContact OD1-N 3.07Å; N547-I562 CarbonylContact C-O 3.58Å; N547-I562 VanDerWaalsContact CA-O 3.29Å; N547-I562 WeakPolarHBondContact CA-O 3.33Å; N547-D563 PolarHBondContact OD1-OD1 3.29Å |
| 548 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.9 | 171.1 | -57.9 | 167.9 | 0 | 0 | 0 | 107.7 | A540 I541 F550 T561 I562 F590 I593 L602 A604 Y614 | A540-I548 HydrophobicContact CB-CG2 4.27Å; I541-I548 CarbonylContact O-C 3.52Å; I541-I548 VanDerWaalsContact O-CA 3.31Å; I541-I548 WeakPolarHBondContact O-CA 3.48Å; I548-F550 HydrophobicContact CG2-CZ 4.45Å; I548-T561 CarbonylContact O-C 3.59Å; I548-T561 VanDerWaalsContact O-CA 3.27Å; I548-T561 WeakPolarHBondContact O-CA 3.33Å; I548-I562 HydrophobicContact CB-CB 4.35Å; I548-I562 PolarHBondContact N-O 2.67Å; I548-I562 PolarHBondContact O-N 3.34Å; I548-F590 HydrophobicContact CD1-CD2 4.17Å; I548-F590 HydrophobicContact CD1-CE2 4.42Å; I548-F590 HydrophobicContact CG1-CD2 4.25Å; I548-I593 HydrophobicContact CD1-CG2 4.23Å; I548-L602 HydrophobicContact CD1-CD2 3.84Å; I548-L602 HydrophobicContact CG2-CD1 4.29Å; I548-A604 HydrophobicContact CD1-CB 3.94Å; I548-Y614 HydrophobicContact CD1-CD2 4.21Å; I548-Y614 HydrophobicContact CD1-CE2 3.85Å |
| 549 | V | 96.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.5 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | F523 A540 I541 L543 E558 T561 | F523-V549 HydrophobicContact CE1-CB 4.45Å; F523-V549 HydrophobicContact CE1-CG1 4.1Å; A540-V549 CarbonylContact C-O 3.56Å; A540-V549 WeakPolarHBondContact CA-O 3.43Å; I541-V549 PolarHBondContact N-O 3.3Å; I541-V549 PolarHBondContact O-N 3Å; L543-V549 HydrophobicContact CD1-CG2 3.67Å; L543-V549 HydrophobicContact CG-CG2 4.14Å; V549-E558 HydrophobicContact CG1-CG 3.73Å; V549-T561 HydrophobicContact CB-CG2 4.32Å; V549-T561 HydrophobicContact CG1-CG2 4.2Å; V549-T561 HydrophobicContact CG2-CG2 3.87Å |
| 550 | F | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.1 | 173.2 | -62.2 | -71.3 | 0 | 0 | 0 | 110.7 | L539 A540 I548 E558 M559 G560 I562 Y595 L602 V616 K619 | L539-F550 CarbonylContact O-C 3.57Å; L539-F550 VanDerWaalsContact O-CA 3.27Å; L539-F550 WeakPolarHBondContact O-CA 3.36Å; A540-F550 HydrophobicContact CB-CD1 3.97Å; A540-F550 HydrophobicContact CB-CE1 3.94Å; I548-F550 HydrophobicContact CG2-CZ 4.45Å; F550-E558 CarbonylContact O-C 3.58Å; F550-M559 HydrophobicContact CB-CB 4.13Å; F550-M559 PolarHBondContact O-N 3.23Å; F550-G560 WeakPolarHBondContact CB-O 3.38Å; F550-G560 WeakPolarHBondContact CD2-O 3.3Å; F550-G560 PolarHBondContact N-O 3.33Å; F550-I562 HydrophobicContact CE2-CD1 3.48Å; F550-I562 VanDerWaalsContact CE2-CD1 3.48Å; F550-I562 HydrophobicContact CE2-CG1 3.79Å; F550-I562 HydrophobicContact CZ-CD1 3.64Å; F550-I562 HydrophobicContact CZ-CG1 4.43Å; F550-Y595 VanDerWaalsContact CD1-OH 3.28Å; F550-Y595 WeakPolarHBondContact CD1-OH 3.28Å; F550-Y595 HydrophobicContact CE1-CE1 4.32Å; F550-Y595 WeakPolarHBondContact CE1-OH 3.22Å; F550-L602 HydrophobicContact CE1-CD1 3.87Å; F550-L602 HydrophobicContact CZ-CD1 4.33Å; F550-V616 HydrophobicContact CD1-CG1 4.43Å; F550-V616 HydrophobicContact CE1-CG1 3.98Å; F550-V616 HydrophobicContact CE1-CG2 4.27Å; F550-V616 HydrophobicContact CZ-CG1 4.18Å; F550-V616 HydrophobicContact CZ-CG2 4.32Å; F550-K619 HydrophobicContact CE2-CG 4.38Å |
| 551 | Y | 94.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137.9 | -174.8 | -173.7 | -99.6 | 0 | 0 | 0 | 111.3 | L496 L498 E519 V521 Q538 L539 G556 | L496-Y551 HydrophobicContact CD2-CD1 4.04Å; L496-Y551 HydrophobicContact CD2-CE1 4.36Å; L498-Y551 HydrophobicContact CD1-CE1 4.23Å; E519-Y551 PolarHBondContact OE1-OH 2.79Å; E519-Y551 PolarHBondContact OE2-OH 3.31Å; V521-Y551 HydrophobicContact CG1-CD2 4.5Å; V521-Y551 HydrophobicContact CG1-CE2 4.2Å; V521-Y551 HydrophobicContact CG2-CD2 4.43Å; V521-Y551 HydrophobicContact CG2-CE1 3.95Å; V521-Y551 HydrophobicContact CG2-CE2 3.69Å; V521-Y551 VanDerWaalsContact CG2-OH 3.28Å; V521-Y551 WeakPolarHBondContact CG2-OH 3.43Å; Q538-Y551 CarbonylContact C-O 3.56Å; Q538-Y551 WeakPolarHBondContact CA-O 3.41Å; L539-Y551 HydrophobicContact CD1-CD1 4.35Å; L539-Y551 PolarHBondContact N-O 3.05Å; L539-Y551 PolarHBondContact O-N 3.37Å; Y551-G556 WeakPolarHBondContact OH-CA 2.82Å |
| 552 | D | 92.5 | Very high | 92.4 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 112.8 | 172.3 | -172.5 | -23.9 | 0 | 0 | 0 | 110.1 | K537 N554 E555 G556 V557 M559 | K537-D552 VanDerWaalsContact O-OD1 3.12Å; D552-N554 VanDerWaalsContact C-N 3.28Å; D552-N554 PolarHBondContact O-N 3.19Å; D552-N554 WeakPolarHBondContact OD1-CB 3.43Å; D552-N554 PolarHBondContact OD1-N 2.89Å; D552-E555 HydrophobicContact CB-CB 4.43Å; D552-E555 PolarHBondContact OD1-N 2.53Å; D552-G556 WeakPolarHBondContact O-CA 3.41Å; D552-G556 PolarHBondContact O-N 2.92Å; D552-V557 PolarHBondContact N-O 2.91Å; D552-V557 PolarHBondContact O-N 2.72Å; D552-M559 HydrophobicContact CB-CG 4.16Å; D552-M559 HydrophobicContact CB-SD 4.42Å |
| 553 | P | 89.1 | Confident | 92.3 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.6 | -179.4 | 32.2 | -36.3 | 0 | 0 | 0 | 114.6 | L498 K518 Y532 G536 K537 L539 | L498-P553 HydrophobicContact CD1-CB 3.66Å; K518-P553 PolarHBondContact NZ-O 3.28Å; Y532-P553 HydrophobicContact CE1-CG 4.11Å; G536-P553 WeakPolarHBondContact O-CG 3.32Å; K537-P553 WeakPolarHBondContact O-CD 3.5Å; L539-P553 HydrophobicContact CD1-CB 4.13Å; L539-P553 HydrophobicContact CD1-CG 4.39Å |
| 554 | N | 85.6 | Confident | 91.9 | Very high | 100 Ų | 100 | 42.1 Ų | 42.1 | 54% | 0.535 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -43.1 | 178.4 | -62.5 | -48.9 | 0 | 0 | 0 | 111.6 | D552 | D552-N554 VanDerWaalsContact C-N 3.28Å; D552-N554 PolarHBondContact O-N 3.19Å; D552-N554 WeakPolarHBondContact OD1-CB 3.43Å; D552-N554 PolarHBondContact OD1-N 2.89Å |
| 555 | E | 86 | Confident | 91.5 | Very high | 118 Ų | 118 | 41.7 Ų | 41.7 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -20.9 | 178.7 | -64.5 | -165 | 171.1 | 0 | 0 | 113 | D552 V557 | D552-E555 HydrophobicContact CB-CB 4.43Å; D552-E555 PolarHBondContact OD1-N 2.53Å; E555-V557 HydrophobicContact CB-CB 4.48Å; E555-V557 HydrophobicContact CB-CG2 4.09Å |
| 556 | G | 87.7 | Confident | 91.2 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 33.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y551 D552 | Y551-G556 WeakPolarHBondContact OH-CA 2.82Å; D552-G556 WeakPolarHBondContact O-CA 3.41Å; D552-G556 PolarHBondContact O-N 2.92Å |
| 557 | V | 92 | Very high | 91.3 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.2 | -170.4 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | D552 E555 M559 | D552-V557 PolarHBondContact N-O 2.91Å; D552-V557 PolarHBondContact O-N 2.72Å; E555-V557 HydrophobicContact CB-CB 4.48Å; E555-V557 HydrophobicContact CB-CG2 4.09Å; V557-M559 PolarHBondContact O-N 2.87Å |
| 558 | E | 91.9 | Very high | 91 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 116.3 | 167.8 | -170.4 | -172.8 | 151 | 0 | 0 | 110.4 | V549 F550 G560 T561 | V549-E558 HydrophobicContact CG1-CG 3.73Å; F550-E558 CarbonylContact O-C 3.58Å; E558-G560 VanDerWaalsContact C-N 3.35Å; E558-T561 WeakPolarHBondContact OE1-CG2 3.48Å |
| 559 | M | 90.4 | Very high | 90.3 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -19.1 | -178.9 | -64.4 | -63 | -77.2 | 0 | 0 | 112.4 | F550 D552 V557 K619 | F550-M559 HydrophobicContact CB-CB 4.13Å; F550-M559 PolarHBondContact O-N 3.23Å; D552-M559 HydrophobicContact CB-CG 4.16Å; D552-M559 HydrophobicContact CB-SD 4.42Å; V557-M559 PolarHBondContact O-N 2.87Å; M559-K619 PolarHBondContact O-NZ 2.84Å |
| 560 | G | 92.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.9 | -175.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F550 E558 | F550-G560 WeakPolarHBondContact CB-O 3.38Å; F550-G560 WeakPolarHBondContact CD2-O 3.3Å; F550-G560 PolarHBondContact N-O 3.33Å; E558-G560 VanDerWaalsContact C-N 3.35Å |
| 561 | T | 94.9 | Very high | 88.3 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155.4 | -172 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | I548 V549 E558 | I548-T561 CarbonylContact O-C 3.59Å; I548-T561 VanDerWaalsContact O-CA 3.27Å; I548-T561 WeakPolarHBondContact O-CA 3.33Å; V549-T561 HydrophobicContact CB-CG2 4.32Å; V549-T561 HydrophobicContact CG1-CG2 4.2Å; V549-T561 HydrophobicContact CG2-CG2 3.87Å; E558-T561 WeakPolarHBondContact OE1-CG2 3.48Å |
| 562 | I | 95.4 | Very high | 87 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.2 | 166.3 | -65.4 | 168.4 | 0 | 0 | 0 | 107.4 | N547 I548 F550 G564 Y614 K619 | N547-I562 CarbonylContact C-O 3.58Å; N547-I562 VanDerWaalsContact CA-O 3.29Å; N547-I562 WeakPolarHBondContact CA-O 3.33Å; I548-I562 HydrophobicContact CB-CB 4.35Å; I548-I562 PolarHBondContact N-O 2.67Å; I548-I562 PolarHBondContact O-N 3.34Å; F550-I562 HydrophobicContact CE2-CD1 3.48Å; F550-I562 VanDerWaalsContact CE2-CD1 3.48Å; F550-I562 HydrophobicContact CE2-CG1 3.79Å; F550-I562 HydrophobicContact CZ-CD1 3.64Å; F550-I562 HydrophobicContact CZ-CG1 4.43Å; I562-G564 PolarHBondContact O-N 3.48Å; I562-Y614 HydrophobicContact CD1-CD1 4.13Å; I562-Y614 HydrophobicContact CD1-CG 3.97Å; I562-Y614 HydrophobicContact CG2-CD1 3.83Å; I562-Y614 HydrophobicContact CG2-CE1 3.61Å; I562-Y614 HydrophobicContact CG2-CG 4.47Å; I562-K619 HydrophobicContact CD1-CB 4.48Å; I562-K619 HydrophobicContact CG1-CB 3.91Å; I562-K619 HydrophobicContact CG1-CG 4.44Å |
| 563 | D | 92.7 | Very high | 85.7 | Confident | 100 Ų | 100 | 54.6 Ų | 54.6 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 99 | 168.5 | 177.3 | 7.9 | 0 | 0 | 0 | 109 | N547 H565 | N547-D563 PolarHBondContact OD1-OD1 3.29Å; D563-H565 WeakPolarHBondContact OD1-CB 3.43Å; D563-H565 PolarHBondContact OD1-N 2.69Å |
| 564 | G | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -102.9 | 13.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G546 I562 R566 D567 | G546-G564 PolarHBondContact O-N 2.91Å; I562-G564 PolarHBondContact O-N 3.48Å; G564-R566 VanDerWaalsContact C-N 3.28Å; G564-R566 PolarHBondContact O-N 2.7Å; G564-D567 PolarHBondContact O-N 3.37Å; G564-D567 VanDerWaalsContact O-N 3.1Å | ||
| 565 | H | 84.7 | Confident | 83.4 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -43.1 | -177.9 | -176.7 | -95.2 | 0 | 0 | 0 | 112.6 | N545 D563 D567 A585 E586 | N545-H565 PolarHBondContact O-CD2 2.93Å; D563-H565 WeakPolarHBondContact OD1-CB 3.43Å; D563-H565 PolarHBondContact OD1-N 2.69Å; H565-D567 VanDerWaalsContact C-N 3.33Å; H565-A585 PolarHBondContact NE2-O 3.46Å; H565-E586 VanDerWaalsContact NE2-CA 3.34Å; H565-E586 WeakPolarHBondContact NE2-CA 3.41Å; H565-E586 PolarHBondContact NE2-O 2.84Å |
| 566 | R | 85.7 | Confident | 82.2 | Confident | 210 Ų | 210 | 52.1 Ų | 52.1 | 79% | 0.792 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.6 | -178.6 | -62.7 | -178.5 | -179 | 178.7 | 2.5 | 113.2 | G564 G569 | G564-R566 VanDerWaalsContact C-N 3.28Å; G564-R566 PolarHBondContact O-N 2.7Å; R566-G569 PolarHBondContact O-N 3.3Å |
| 567 | D | 90.9 | Very high | 81.1 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -28.6 | -173.1 | -63.8 | -21.5 | 0 | 0 | 0 | 111.9 | G564 H565 G569 Y614 L621 R624 | G564-D567 PolarHBondContact O-N 3.37Å; G564-D567 VanDerWaalsContact O-N 3.1Å; H565-D567 VanDerWaalsContact C-N 3.33Å; D567-G569 PolarHBondContact O-N 2.92Å; D567-G569 VanDerWaalsContact O-N 3.16Å; D567-Y614 WeakPolarHBondContact OD2-CE1 3.39Å; D567-Y614 PolarHBondContact OD2-OH 3.41Å; D567-L621 HydrophobicContact CB-CD2 4.42Å; D567-R624 WeakPolarHBondContact O-CD 3.36Å; D567-R624 PolarHBondContact O-NH1 3.21Å |
| 568 | L | 87.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -11.5 | 173.4 | -72 | 171 | 0 | 0 | 0 | 113.7 | K588 F590 S608 | L568-K588 HydrophobicContact CB-CB 4.4Å; L568-K588 HydrophobicContact CB-CD 4.47Å; L568-K588 HydrophobicContact CD1-CB 4Å; L568-F590 HydrophobicContact CD1-CD1 4.41Å; L568-F590 HydrophobicContact CD1-CD2 4.42Å; L568-F590 HydrophobicContact CD1-CE1 4.26Å; L568-F590 HydrophobicContact CD1-CE2 4.23Å; L568-F590 HydrophobicContact CD1-CG 4.49Å; L568-F590 HydrophobicContact CD1-CZ 4.15Å; L568-F590 HydrophobicContact CD2-CD1 3.73Å; L568-F590 HydrophobicContact CD2-CE1 3.32Å; L568-F590 HydrophobicContact CD2-CZ 3.84Å; L568-F590 HydrophobicContact CG-CD1 4.27Å; L568-F590 HydrophobicContact CG-CE1 3.71Å; L568-F590 HydrophobicContact CG-CE2 4.21Å; L568-F590 HydrophobicContact CG-CZ 3.65Å; L568-S608 WeakPolarHBondContact O-CB 3.01Å; L568-S608 PolarHBondContact O-OG 3.03Å |
| 569 | G | 82.2 | Confident | 79.3 | Confident | 11 Ų | 11 | 56 Ų | 56 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | trans | 70.2 | 159.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R566 D567 K588 | R566-G569 PolarHBondContact O-N 3.3Å; D567-G569 PolarHBondContact O-N 2.92Å; D567-G569 VanDerWaalsContact O-N 3.16Å; G569-K588 PolarHBondContact O-NZ 3.13Å | ||
| 570 | V | 76.7 | Confident | 78.8 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | trans | -94.4 | 117.8 | -177 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | P581 R582 A585 E638 | V570-P581 VanDerWaalsContact CG1-C 3.48Å; V570-P581 HydrophobicContact CG1-CB 3.5Å; V570-P581 WeakPolarHBondContact CG1-O 3.43Å; V570-R582 HydrophobicContact CG1-CG 4.49Å; V570-A585 HydrophobicContact CB-CB 4.26Å; V570-A585 HydrophobicContact CG1-CB 4.22Å; V570-A585 HydrophobicContact CG2-CB 3.94Å; V570-E638 WeakPolarHBondContact O-CA 3.25Å; V570-E638 VanDerWaalsContact O-CB 3.32Å; V570-E638 WeakPolarHBondContact O-CB 3.43Å; V570-E638 WeakPolarHBondContact O-CG 3.22Å | ||
| 571 | A | 73.6 | Confident | 78.2 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | trans | -138.8 | 141.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K588 G635 | A571-K588 VanDerWaalsContact CB-NZ 3.34Å; A571-G635 WeakPolarHBondContact CB-O 3.14Å | ||
| 572 | Q | 67.4 | Low | 77.6 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | trans | -79.1 | 121.1 | 168.4 | -71.9 | -172.8 | -56.6 | 0 | 0 | 108.2 | P581 G635 Q637 H640 | Q572-P581 HydrophobicContact CG-CB 3.59Å; Q572-P581 HydrophobicContact CG-CG 3.46Å; Q572-P581 VanDerWaalsContact CG-CG 3.46Å; Q572-G635 WeakPolarHBondContact O-CA 3.49Å; Q572-G635 PolarHBondContact O-N 2.9Å; Q572-Q637 PolarHBondContact N-O 2.59Å; Q572-H640 WeakPolarHBondContact CB-CE1 3.2Å; Q572-H640 WeakPolarHBondContact CB-ND1 3.32Å; Q572-H640 PolarHBondContact OE1-ND1 3.44Å | ||
| 573 | T | 64.7 | Low | 77.1 | Confident | 36 Ų | 36 | 70 Ų | 70 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | trans | -71.1 | -44.5 | -177.2 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | A634 | T573-A634 WeakPolarHBondContact O-CB 3.39Š| ||
| 574 | S | 65 | Low | 76.5 | Confident | 35 Ų | 35 | 65.9 Ų | 65.9 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | trans | -139.3 | 152.9 | 179.3 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | D576 D577 | S574-D576 PolarHBondContact O-N 2.83Å; S574-D577 PolarHBondContact O-N 3.44Å; S574-D577 PolarHBondContact OG-N 2.81Å | ||
| 575 | E | 61 | Low | 76.1 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22 | 174.9 | -62.2 | -177.9 | -163.4 | 0 | 0 | 111.5 | D577 Y645 R648 R681 | E575-D577 VanDerWaalsContact C-N 3.34Å; E575-Y645 HydrophobicContact CB-CE2 4.43Å; E575-Y645 WeakPolarHBondContact O-CE2 3.17Å; E575-R648 WeakPolarHBondContact OE1-CD 3.28Å; E575-R648 IonicContact OE1-CZ 3.66Å; E575-R648 IonicContact OE1-NH1 3.99Å; E575-R648 PolarHBondContact OE1-NH1 2.99Å; E575-R681 IonicContact OE1-NH1 2.72Å; E575-R681 PolarHBondContact OE1-NH1 2.83Å |
| 576 | D | 61.5 | Low | 76 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 54% | 0.535 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.6 | 177.4 | -67.1 | -16.5 | 0 | 0 | 0 | 113.1 | S574 L578 F649 | S574-D576 PolarHBondContact O-N 2.83Å; D576-L578 PolarHBondContact O-N 3.04Å; D576-F649 VanDerWaalsContact OD1-CZ 3.25Å; D576-F649 WeakPolarHBondContact OD1-CZ 3.37Å |
| 577 | D | 64.1 | Low | 76 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | trans | -73.6 | 113.9 | -175.3 | -160.7 | -2.8 | 0 | 0 | 0 | 110.4 | S574 E575 V579 | S574-D577 PolarHBondContact O-N 3.44Å; S574-D577 PolarHBondContact OG-N 2.81Å; E575-D577 VanDerWaalsContact C-N 3.34Å; D577-V579 PolarHBondContact O-N 2.68Å; D577-V579 VanDerWaalsContact OD1-CB 3.28Å; D577-V579 WeakPolarHBondContact OD1-CB 3.14Å; D577-V579 WeakPolarHBondContact OD1-CG2 3.32Å; D577-V579 PolarHBondContact OD1-N 3.35Å; D577-V579 VanDerWaalsContact OD1-N 3.13Å | ||
| 578 | L | 71.1 | Confident | 75.8 | Confident | 169 Ų | 169 | 62.4 Ų | 62.4 | 89% | 0.885 | 33% | 0.327 | S | S | * | . | trans | -74.2 | -0.3 | 176.5 | -61.8 | 173.4 | 0 | 0 | 0 | 112 | D576 | D576-L578 PolarHBondContact O-N 3.04Š| ||
| 579 | V | 76 | Confident | 76 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -83.9 | 137 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | D577 R583 A584 | D577-V579 PolarHBondContact O-N 2.68Å; D577-V579 VanDerWaalsContact OD1-CB 3.28Å; D577-V579 WeakPolarHBondContact OD1-CB 3.14Å; D577-V579 WeakPolarHBondContact OD1-CG2 3.32Å; D577-V579 PolarHBondContact OD1-N 3.35Å; D577-V579 VanDerWaalsContact OD1-N 3.13Å; V579-R583 HydrophobicContact CG1-CB 3.35Å; V579-A584 HydrophobicContact CG1-CB 4.38Å |
| 580 | T | 79.7 | Confident | 76.6 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -61.7 | 144.2 | 174.5 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | R582 R583 A584 | T580-R582 PolarHBondContact O-N 2.91Å; T580-R583 PolarHBondContact O-N 3.3Å; T580-R583 WeakPolarHBondContact OG1-CG 3.42Å; T580-A584 PolarHBondContact O-N 2.77Å | ||
| 581 | P | 79 | Confident | 77.4 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50.2 | -38.8 | -178 | -14 | 11.8 | 0 | 0 | 0 | 113.8 | V570 Q572 A584 A585 | V570-P581 VanDerWaalsContact CG1-C 3.48Å; V570-P581 HydrophobicContact CG1-CB 3.5Å; V570-P581 WeakPolarHBondContact CG1-O 3.43Å; Q572-P581 HydrophobicContact CG-CB 3.59Å; Q572-P581 HydrophobicContact CG-CG 3.46Å; Q572-P581 VanDerWaalsContact CG-CG 3.46Å; P581-A584 PolarHBondContact O-N 2.84Å; P581-A585 WeakPolarHBondContact O-CB 3.34Å; P581-A585 PolarHBondContact O-N 3.27Å |
| 582 | R | 82.8 | Confident | 78.5 | Confident | 202 Ų | 202 | 64.7 Ų | 64.7 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 179.2 | -68 | -176 | -179.7 | 169.7 | -0.5 | 113 | V570 T580 A585 E586 | V570-R582 HydrophobicContact CG1-CG 4.49Å; T580-R582 PolarHBondContact O-N 2.91Å; R582-A585 WeakPolarHBondContact O-CB 3.15Å; R582-A585 PolarHBondContact O-N 3.14Å; R582-E586 PolarHBondContact O-N 3.47Å |
| 583 | R | 84.5 | Confident | 79.9 | Confident | 170 Ų | 170 | 63 Ų | 63 | 64% | 0.642 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.6 | -35.7 | 174.9 | -75 | -176.9 | -179.8 | 178.2 | 0.2 | 111.8 | V579 T580 A585 E586 | V579-R583 HydrophobicContact CG1-CB 3.35Å; T580-R583 PolarHBondContact O-N 3.3Å; T580-R583 WeakPolarHBondContact OG1-CG 3.42Å; R583-A585 VanDerWaalsContact C-N 3.28Å; R583-A585 PolarHBondContact O-N 2.71Å; R583-E586 WeakPolarHBondContact O-CB 3.36Å; R583-E586 PolarHBondContact O-N 2.71Å; R583-E586 VanDerWaalsContact O-N 3.15Å |
| 584 | A | 80.4 | Confident | 81.4 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 12% | 0.116 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | V579 T580 P581 E586 A587 | V579-A584 HydrophobicContact CG1-CB 4.38Å; T580-A584 PolarHBondContact O-N 2.77Å; P581-A584 PolarHBondContact O-N 2.84Å; A584-E586 PolarHBondContact O-N 3.36Å; A584-A587 PolarHBondContact O-N 3.37Å |
| 585 | A | 81 | Confident | 82.7 | Confident | 9 Ų | 9 | 61 Ų | 61 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -26.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H565 V570 P581 R582 R583 A587 K588 | H565-A585 PolarHBondContact NE2-O 3.46Å; V570-A585 HydrophobicContact CB-CB 4.26Å; V570-A585 HydrophobicContact CG1-CB 4.22Å; V570-A585 HydrophobicContact CG2-CB 3.94Å; P581-A585 WeakPolarHBondContact O-CB 3.34Å; P581-A585 PolarHBondContact O-N 3.27Å; R582-A585 WeakPolarHBondContact O-CB 3.15Å; R582-A585 PolarHBondContact O-N 3.14Å; R583-A585 VanDerWaalsContact C-N 3.28Å; R583-A585 PolarHBondContact O-N 2.71Å; A585-A587 PolarHBondContact O-N 3.36Å; A585-K588 WeakPolarHBondContact O-CB 3.47Å; A585-K588 PolarHBondContact O-N 3.06Å |
| 586 | E | 82.3 | Confident | 84.1 | Confident | 126 Ų | 126 | 59.6 Ų | 59.6 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.2 | -28.1 | 174.9 | -70.5 | 167.8 | -171.9 | 0 | 0 | 112.9 | H565 R582 R583 A584 | H565-E586 VanDerWaalsContact NE2-CA 3.34Å; H565-E586 WeakPolarHBondContact NE2-CA 3.41Å; H565-E586 PolarHBondContact NE2-O 2.84Å; R582-E586 PolarHBondContact O-N 3.47Å; R583-E586 WeakPolarHBondContact O-CB 3.36Å; R583-E586 PolarHBondContact O-N 2.71Å; R583-E586 VanDerWaalsContact O-N 3.15Å; A584-E586 PolarHBondContact O-N 3.36Å |
| 587 | A | 84.1 | Confident | 85.1 | Confident | 78 Ų | 78 | 57 Ų | 57 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A584 A585 | A584-A587 PolarHBondContact O-N 3.37Å; A585-A587 PolarHBondContact O-N 3.36Å |
| 588 | K | 87.9 | Confident | 85.7 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | trans | -77 | 145.9 | -178.4 | -66.6 | -176.3 | 176.6 | -173.4 | 0 | 111.3 | L568 G569 A571 A585 D607 | L568-K588 HydrophobicContact CB-CB 4.4Å; L568-K588 HydrophobicContact CB-CD 4.47Å; L568-K588 HydrophobicContact CD1-CB 4Å; G569-K588 PolarHBondContact O-NZ 3.13Å; A571-K588 VanDerWaalsContact CB-NZ 3.34Å; A585-K588 WeakPolarHBondContact O-CB 3.47Å; A585-K588 PolarHBondContact O-N 3.06Å; K588-D607 WeakPolarHBondContact CD-O 3.48Å | ||
| 589 | K | 91.8 | Very high | 86.4 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | trans | -148.8 | 155 | -171.7 | 60.8 | -165.8 | -178.8 | 175.7 | 0 | 112.7 | L528 L544 Q591 G606 D607 | L528-K589 HydrophobicContact CD1-CB 4.01Å; L528-K589 HydrophobicContact CD1-CD 3.7Å; L528-K589 HydrophobicContact CD1-CG 4Å; L544-K589 HydrophobicContact CD1-CD 3.46Å; L544-K589 VanDerWaalsContact CD1-CD 3.46Å; K589-Q591 HydrophobicContact CG-CG 4.21Å; K589-Q591 PolarHBondContact O-N 3.42Å; K589-G606 WeakPolarHBondContact O-CA 3.37Å; K589-D607 PolarHBondContact O-N 2.89Å | ||
| 590 | F | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 110.9 | 167.8 | -63.3 | -68.3 | 0 | 0 | 0 | 109.7 | L528 S542 G546 I548 L568 A604 G605 C612 Y614 | L528-F590 WeakPolarHBondContact CD1-O 3.47Å; S542-F590 WeakPolarHBondContact CB-O 3.45Å; S542-F590 PolarHBondContact OG-O 3.32Å; G546-F590 WeakPolarHBondContact O-CD2 3.45Å; G546-F590 WeakPolarHBondContact O-CE2 3.32Å; I548-F590 HydrophobicContact CD1-CD2 4.17Å; I548-F590 HydrophobicContact CD1-CE2 4.42Å; I548-F590 HydrophobicContact CG1-CD2 4.25Å; L568-F590 HydrophobicContact CD1-CD1 4.41Å; L568-F590 HydrophobicContact CD1-CD2 4.42Å; L568-F590 HydrophobicContact CD1-CE1 4.26Å; L568-F590 HydrophobicContact CD1-CE2 4.23Å; L568-F590 HydrophobicContact CD1-CG 4.49Å; L568-F590 HydrophobicContact CD1-CZ 4.15Å; L568-F590 HydrophobicContact CD2-CD1 3.73Å; L568-F590 HydrophobicContact CD2-CE1 3.32Å; L568-F590 HydrophobicContact CD2-CZ 3.84Å; L568-F590 HydrophobicContact CG-CD1 4.27Å; L568-F590 HydrophobicContact CG-CE1 3.71Å; L568-F590 HydrophobicContact CG-CE2 4.21Å; L568-F590 HydrophobicContact CG-CZ 3.65Å; F590-A604 HydrophobicContact CD1-CB 3.44Å; F590-A604 VanDerWaalsContact CD1-CB 3.44Å; F590-A604 HydrophobicContact CE1-CB 3.69Å; F590-A604 HydrophobicContact CG-CB 3.94Å; F590-A604 HydrophobicContact CZ-CB 4.4Å; F590-G605 CarbonylContact C-O 3.59Å; F590-G605 WeakPolarHBondContact CA-O 3.36Å; F590-C612 HydrophobicContact CE1-CB 4.22Å; F590-C612 HydrophobicContact CZ-CB 4.41Å; F590-Y614 HydrophobicContact CZ-CE2 4.43Å; F590-Y614 VanDerWaalsContact CZ-OH 3.29Å; F590-Y614 WeakPolarHBondContact CZ-OH 3.45Å |
| 591 | Q | 93.3 | Very high | 87.4 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -24.5 | 178.4 | -65.4 | -172.4 | -9.5 | 0 | 0 | 112.4 | C529 K589 G605 D607 R685 | C529-Q591 WeakPolarHBondContact CB-O 3.42Å; K589-Q591 HydrophobicContact CG-CG 4.21Å; K589-Q591 PolarHBondContact O-N 3.42Å; Q591-G605 PolarHBondContact N-O 2.96Å; Q591-D607 PolarHBondContact NE2-OD1 2.94Å; Q591-D607 PolarHBondContact NE2-OD2 2.93Å; Q591-R685 VanDerWaalsContact NE2-NH2 3.19Å |
| 592 | T | 96.2 | Very high | 88.2 | Confident | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.9 | -174.9 | 180 | 0 | 0 | 0 | 0 | 109.5 | A604 G605 V689 | T592-A604 WeakPolarHBondContact O-CA 3.48Å; T592-G605 WeakPolarHBondContact CG2-O 3.49Å; T592-G605 PolarHBondContact N-O 3.06Å; T592-G605 PolarHBondContact O-N 3.1Å; T592-G605 VanDerWaalsContact O-O 3.08Å; T592-V689 HydrophobicContact CG2-CB 4.35Å; T592-V689 HydrophobicContact CG2-CG1 3.97Å; T592-V689 HydrophobicContact CG2-CG2 3.86Å; T592-V689 PolarHBondContact OG1-N 3.41Å |
| 593 | I | 96.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 154.1 | 175.7 | 54.6 | 175.1 | 0 | 0 | 0 | 108.1 | C529 V531 A540 I548 L602 I603 A604 | C529-I593 HydrophobicContact CB-CG1 4.2Å; V531-I593 HydrophobicContact CG2-CG1 3.98Å; V531-I593 VanDerWaalsContact CG2-O 3.26Å; V531-I593 WeakPolarHBondContact CG2-O 3.28Å; A540-I593 HydrophobicContact CB-CD1 3.84Å; A540-I593 WeakPolarHBondContact O-CD1 3.13Å; I548-I593 HydrophobicContact CD1-CG2 4.23Å; I593-L602 HydrophobicContact CB-CD2 4.24Å; I593-L602 HydrophobicContact CG2-CD2 4.16Å; I593-I603 CarbonylContact C-O 3.59Å; I593-I603 VanDerWaalsContact CA-O 3.23Å; I593-I603 WeakPolarHBondContact CA-O 3.26Å; I593-A604 HydrophobicContact CG2-CB 3.82Å |
| 594 | A | 95.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 24.3 Ų | 24.3 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 139.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L602 I603 V689 F691 | A594-L602 WeakPolarHBondContact O-CA 3.44Å; A594-I603 HydrophobicContact CB-CG2 3.89Å; A594-I603 PolarHBondContact N-O 3.31Å; A594-I603 PolarHBondContact O-N 2.78Å; A594-V689 HydrophobicContact CB-CG2 4.32Å; A594-F691 HydrophobicContact CB-CD2 4.45Å |
| 595 | Y | 93.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 7% | 0.071 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 146.6 | 169.4 | -81.7 | -79.8 | 0 | 0 | 0 | 110.6 | V531 R533 A540 F550 L602 V616 F691 | V531-Y595 HydrophobicContact CB-CD2 4.41Å; V531-Y595 HydrophobicContact CG1-CD2 3.96Å; R533-Y595 HydrophobicContact CB-CD1 4.35Å; R533-Y595 HydrophobicContact CB-CD2 4.14Å; R533-Y595 HydrophobicContact CB-CE1 4.21Å; R533-Y595 HydrophobicContact CB-CE2 4.02Å; R533-Y595 HydrophobicContact CB-CG 4.29Å; R533-Y595 HydrophobicContact CG-CD1 4.34Å; R533-Y595 HydrophobicContact CG-CE1 4.41Å; A540-Y595 HydrophobicContact CB-CE2 3.53Å; A540-Y595 WeakPolarHBondContact CB-OH 3.27Å; F550-Y595 VanDerWaalsContact CD1-OH 3.28Å; F550-Y595 WeakPolarHBondContact CD1-OH 3.28Å; F550-Y595 HydrophobicContact CE1-CE1 4.32Å; F550-Y595 WeakPolarHBondContact CE1-OH 3.22Å; Y595-L602 HydrophobicContact CE1-CD1 4.25Å; Y595-L602 HydrophobicContact CE2-CD1 4.45Å; Y595-V616 HydrophobicContact CD1-CG2 4.09Å; Y595-V616 HydrophobicContact CE1-CG1 4.23Å; Y595-V616 HydrophobicContact CE1-CG2 3.7Å; Y595-F691 WeakPolarHBondContact O-CD2 3.5Å |
| 596 | S | 89.9 | Confident | 90.7 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | trans | -65.7 | 161.9 | 163.2 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | D598 G599 H601 | S596-D598 WeakPolarHBondContact CB-OD1 3.29Å; S596-D598 PolarHBondContact O-N 2.85Å; S596-D598 PolarHBondContact OG-OD1 3.29Å; S596-G599 PolarHBondContact O-N 2.83Å; S596-G599 PolarHBondContact OG-N 3.48Å; S596-H601 PolarHBondContact N-O 2.81Å; S596-H601 WeakPolarHBondContact OG-CA 3.17Å; S596-H601 WeakPolarHBondContact OG-CB 3.38Å; S596-H601 PolarHBondContact OG-N 2.96Å; S596-H601 PolarHBondContact OG-O 3.01Å | ||
| 597 | V | 82.5 | Confident | 91 | Very high | 46 Ų | 46 | 19.3 Ų | 19.3 | 28% | 0.279 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.8 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | S692 A886 | V597-S692 VanDerWaalsContact CG2-O 3.23Å; V597-S692 WeakPolarHBondContact CG2-O 3.36Å; V597-A886 HydrophobicContact CG1-CB 4.08Å |
| 598 | D | 77.1 | Confident | 91.4 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 4% | 0.037 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.8 | 172.6 | 52.8 | -2.2 | 0 | 0 | 0 | 115.5 | M1 S596 E600 H601 A882 | M1-D598 WeakPolarHBondContact CB-OD2 3.45Å; M1-D598 PolarHBondContact N-OD2 2.93Å; S596-D598 WeakPolarHBondContact CB-OD1 3.29Å; S596-D598 PolarHBondContact O-N 2.85Å; S596-D598 PolarHBondContact OG-OD1 3.29Å; D598-E600 HydrophobicContact CB-CG 4.47Å; D598-E600 PolarHBondContact O-N 3.46Å; D598-E600 VanDerWaalsContact O-N 3.13Å; D598-H601 IonicContact OD1-CD2 3.04Å; D598-H601 IonicContact OD2-CD2 3.16Å; D598-A882 HydrophobicContact CB-CB 3.63Å |
| 599 | G | 85.1 | Confident | 91.5 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 70.4 | -1.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S596 | S596-G599 PolarHBondContact O-N 2.83Å; S596-G599 PolarHBondContact OG-N 3.48Å |
| 600 | E | 86.5 | Confident | 91.6 | Very high | 50 Ų | 50 | 14.5 Ų | 14.5 | 23% | 0.234 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -80.9 | -18 | 176.9 | -66.6 | -177.4 | 173.9 | 0 | 0 | 112.4 | D598 V616 P617 G879 | D598-E600 HydrophobicContact CB-CG 4.47Å; D598-E600 PolarHBondContact O-N 3.46Å; D598-E600 VanDerWaalsContact O-N 3.13Å; E600-V616 WeakPolarHBondContact O-CB 3.08Å; E600-V616 PolarHBondContact O-N 2.87Å; E600-P617 VanDerWaalsContact O-CD 3.27Å; E600-P617 WeakPolarHBondContact O-CD 3.45Å; E600-G879 VanDerWaalsContact OE1-CA 3.3Å; E600-G879 WeakPolarHBondContact OE1-CA 3.46Å; E600-G879 PolarHBondContact OE1-N 2.88Å |
| 601 | H | 91.5 | Very high | 91.6 | Very high | 15 Ų | 15 | 14.5 Ų | 14.5 | 7% | 0.069 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.1 | -177.6 | -52.3 | -58.8 | 0 | 0 | 0 | 112 | L3 S596 D598 L613 Y614 I622 | L3-H601 VanDerWaalsContact CD2-CD2 3.43Å; L3-H601 WeakPolarHBondContact CD2-CD2 3.37Å; L3-H601 WeakPolarHBondContact CD2-NE2 3.42Å; S596-H601 PolarHBondContact N-O 2.81Å; S596-H601 WeakPolarHBondContact OG-CA 3.17Å; S596-H601 WeakPolarHBondContact OG-CB 3.38Å; S596-H601 PolarHBondContact OG-N 2.96Å; S596-H601 PolarHBondContact OG-O 3.01Å; D598-H601 IonicContact OD1-CD2 3.04Å; D598-H601 IonicContact OD2-CD2 3.16Å; H601-L613 HydrophobicContact CB-CD1 4.07Å; H601-Y614 CarbonylContact C-O 3.51Å; H601-Y614 VanDerWaalsContact CA-O 3.23Å; H601-Y614 WeakPolarHBondContact CA-O 3.45Å; H601-I622 VanDerWaalsContact ND1-CD1 3.33Å; H601-I622 WeakPolarHBondContact ND1-CD1 3.4Å |
| 602 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.4 | 177.8 | -175.9 | 146.1 | 0 | 0 | 0 | 109.4 | A540 I548 F550 I593 A594 Y595 A604 L613 Y614 V616 | A540-L602 HydrophobicContact CB-CD1 3.39Å; I548-L602 HydrophobicContact CD1-CD2 3.84Å; I548-L602 HydrophobicContact CG2-CD1 4.29Å; F550-L602 HydrophobicContact CE1-CD1 3.87Å; F550-L602 HydrophobicContact CZ-CD1 4.33Å; I593-L602 HydrophobicContact CB-CD2 4.24Å; I593-L602 HydrophobicContact CG2-CD2 4.16Å; A594-L602 WeakPolarHBondContact O-CA 3.44Å; Y595-L602 HydrophobicContact CE1-CD1 4.25Å; Y595-L602 HydrophobicContact CE2-CD1 4.45Å; L602-A604 HydrophobicContact CD2-CB 4.17Å; L602-L613 CarbonylContact O-C 3.54Å; L602-L613 WeakPolarHBondContact O-CA 3.36Å; L602-Y614 HydrophobicContact CD2-CD2 4.1Å; L602-Y614 PolarHBondContact N-O 3.41Å; L602-Y614 PolarHBondContact O-N 3.08Å; L602-V616 HydrophobicContact CB-CG2 3.92Å |
| 603 | I | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.3 | 173.4 | -161.9 | 169.4 | 0 | 0 | 0 | 109.5 | I593 A594 I611 C612 L613 V689 F691 F698 | I593-I603 CarbonylContact C-O 3.59Å; I593-I603 VanDerWaalsContact CA-O 3.23Å; I593-I603 WeakPolarHBondContact CA-O 3.26Å; A594-I603 HydrophobicContact CB-CG2 3.89Å; A594-I603 PolarHBondContact N-O 3.31Å; A594-I603 PolarHBondContact O-N 2.78Å; I603-I611 HydrophobicContact CD1-CG2 3.61Å; I603-I611 HydrophobicContact CG1-CG2 3.43Å; I603-I611 VanDerWaalsContact CG1-CG2 3.43Å; I603-C612 CarbonylContact C-O 3.59Å; I603-C612 WeakPolarHBondContact CA-O 3.45Å; I603-L613 HydrophobicContact CB-CD1 4.35Å; I603-V689 HydrophobicContact CG2-CB 4.15Å; I603-V689 HydrophobicContact CG2-CG2 3.81Å; I603-F691 HydrophobicContact CB-CE2 3.59Å; I603-F691 HydrophobicContact CB-CZ 3.9Å; I603-F691 HydrophobicContact CG2-CD2 3.83Å; I603-F691 HydrophobicContact CG2-CE2 3.35Å; I603-F691 HydrophobicContact CG2-CZ 4.09Å; I603-F698 HydrophobicContact CD1-CB 4.48Å; I603-F698 HydrophobicContact CD1-CD1 4.09Å; I603-F698 HydrophobicContact CD1-CD2 3.43Å; I603-F698 VanDerWaalsContact CD1-CD2 3.43Å; I603-F698 HydrophobicContact CD1-CE1 4.09Å; I603-F698 HydrophobicContact CD1-CE2 3.45Å; I603-F698 VanDerWaalsContact CD1-CE2 3.45Å; I603-F698 HydrophobicContact CD1-CG 3.76Å; I603-F698 HydrophobicContact CD1-CZ 3.79Å |
| 604 | A | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I548 F590 T592 I593 L602 C612 Y614 | I548-A604 HydrophobicContact CD1-CB 3.94Å; F590-A604 HydrophobicContact CD1-CB 3.44Å; F590-A604 VanDerWaalsContact CD1-CB 3.44Å; F590-A604 HydrophobicContact CE1-CB 3.69Å; F590-A604 HydrophobicContact CG-CB 3.94Å; F590-A604 HydrophobicContact CZ-CB 4.4Å; T592-A604 WeakPolarHBondContact O-CA 3.48Å; I593-A604 HydrophobicContact CG2-CB 3.82Å; L602-A604 HydrophobicContact CD2-CB 4.17Å; A604-C612 PolarHBondContact N-O 3.04Å; A604-C612 PolarHBondContact O-N 2.88Å; A604-Y614 HydrophobicContact CB-CD2 4.44Å; A604-Y614 HydrophobicContact CB-CE2 3.96Å |
| 605 | G | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 163 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F590 Q591 T592 | F590-G605 CarbonylContact C-O 3.59Å; F590-G605 WeakPolarHBondContact CA-O 3.36Å; Q591-G605 PolarHBondContact N-O 2.96Å; T592-G605 WeakPolarHBondContact CG2-O 3.49Å; T592-G605 PolarHBondContact N-O 3.06Å; T592-G605 PolarHBondContact O-N 3.1Å; T592-G605 VanDerWaalsContact O-O 3.08Å |
| 606 | G | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -136.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | K589 S608 R685 V686 | K589-G606 WeakPolarHBondContact O-CA 3.37Å; G606-S608 PolarHBondContact O-N 3.31Å; G606-R685 WeakPolarHBondContact O-CA 3.48Å; G606-V686 WeakPolarHBondContact CA-O 3.32Å; G606-V686 PolarHBondContact N-O 3.3Å; G606-V686 PolarHBondContact O-N 2.75Å |
| 607 | D | 89.4 | Confident | 91.4 | Very high | 45 Ų | 45 | 14.7 Ų | 14.7 | 24% | 0.241 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -79.2 | 58.7 | -175.6 | -60.9 | -38.2 | 0 | 0 | 0 | 111.8 | K588 K589 Q591 R685 | K588-D607 WeakPolarHBondContact CD-O 3.48Å; K589-D607 PolarHBondContact O-N 2.89Å; Q591-D607 PolarHBondContact NE2-OD1 2.94Å; Q591-D607 PolarHBondContact NE2-OD2 2.93Å; D607-R685 IonicContact OD1-CZ 3.4Å; D607-R685 IonicContact OD1-NE 3.41Å; D607-R685 PolarHBondContact OD1-NE 2.91Å; D607-R685 IonicContact OD1-NH2 3.13Å |
| 608 | S | 90.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -157.3 | 160.7 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | L568 G606 Y610 | L568-S608 WeakPolarHBondContact O-CB 3.01Å; L568-S608 PolarHBondContact O-OG 3.03Å; G606-S608 PolarHBondContact O-N 3.31Å; S608-Y610 PolarHBondContact O-N 2.9Å; S608-Y610 PolarHBondContact OG-N 2.72Å; S608-Y610 VanDerWaalsContact OG-N 3.1Å |
| 609 | K | 91 | Very high | 92.6 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 8% | 0.083 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -72.3 | -8.2 | 165.1 | 69.3 | 173.1 | 178.9 | 174.2 | 0 | 113.8 | E626 V627 V636 V684 | K609-E626 HydrophobicContact CD-CG 4.19Å; K609-E626 WeakPolarHBondContact CE-OE1 3.47Å; K609-E626 IonicContact NZ-OE1 3.41Å; K609-E626 PolarHBondContact NZ-OE1 3.26Å; K609-V627 VanDerWaalsContact O-CB 3.25Å; K609-V627 WeakPolarHBondContact O-CB 3.39Å; K609-V627 VanDerWaalsContact O-CG2 3.31Å; K609-V627 WeakPolarHBondContact O-CG2 3.21Å; K609-V627 PolarHBondContact O-N 2.77Å; K609-V636 HydrophobicContact CD-CG1 4.17Å; K609-V636 WeakPolarHBondContact CE-O 3.26Å; K609-V636 PolarHBondContact NZ-O 2.9Å; K609-V684 HydrophobicContact CB-CG1 3.82Å |
| 610 | Y | 93.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.8 | -177.4 | -67.1 | -56 | 0 | 0 | 0 | 112.4 | S608 R624 F625 E626 | S608-Y610 PolarHBondContact O-N 2.9Å; S608-Y610 PolarHBondContact OG-N 2.72Å; S608-Y610 VanDerWaalsContact OG-N 3.1Å; Y610-R624 HydrophobicContact CD1-CG 3.64Å; Y610-R624 HydrophobicContact CE1-CG 4.46Å; Y610-R624 VanDerWaalsContact CG-CD 3.46Å; Y610-R624 HydrophobicContact CG-CG 3.78Å; Y610-R624 VanDerWaalsContact CZ-CZ 3.49Å; Y610-R624 PolarHBondContact OH-NH2 3.08Å; Y610-F625 CarbonylContact C-O 3.58Å; Y610-F625 VanDerWaalsContact CA-O 3.31Å; Y610-F625 WeakPolarHBondContact CA-O 3.41Å; Y610-E626 HydrophobicContact CD1-CB 4.19Å; Y610-E626 HydrophobicContact CD1-CG 4.47Å; Y610-E626 HydrophobicContact CE1-CB 3.92Å; Y610-E626 HydrophobicContact CE1-CG 4Å |
| 611 | I | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.2 | 166.1 | -59.1 | 153.7 | 0 | 0 | 0 | 107.6 | I603 R624 F625 V627 V686 T700 Y709 | I603-I611 HydrophobicContact CD1-CG2 3.61Å; I603-I611 HydrophobicContact CG1-CG2 3.43Å; I603-I611 VanDerWaalsContact CG1-CG2 3.43Å; I611-R624 CarbonylContact O-C 3.34Å; I611-R624 WeakPolarHBondContact O-CA 3.36Å; I611-F625 HydrophobicContact CB-CB 4.24Å; I611-F625 HydrophobicContact CB-CD2 4.48Å; I611-F625 HydrophobicContact CG2-CD2 4.48Å; I611-F625 PolarHBondContact N-O 3.06Å; I611-F625 PolarHBondContact O-N 2.91Å; I611-V627 HydrophobicContact CD1-CG2 3.41Å; I611-V627 VanDerWaalsContact CD1-CG2 3.41Å; I611-V627 HydrophobicContact CG1-CG2 3.74Å; I611-V686 HydrophobicContact CD1-CG2 4.43Å; I611-V686 HydrophobicContact CG1-CG1 4.42Å; I611-V686 HydrophobicContact CG1-CG2 3.9Å; I611-T700 HydrophobicContact CD1-CG2 3.59Å; I611-T700 HydrophobicContact CG1-CG2 4.41Å; I611-Y709 HydrophobicContact CD1-CE2 4.32Å |
| 612 | C | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.2 | -175.3 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | F590 I603 A604 Y614 L621 | F590-C612 HydrophobicContact CE1-CB 4.22Å; F590-C612 HydrophobicContact CZ-CB 4.41Å; I603-C612 CarbonylContact C-O 3.59Å; I603-C612 WeakPolarHBondContact CA-O 3.45Å; A604-C612 PolarHBondContact N-O 3.04Å; A604-C612 PolarHBondContact O-N 2.88Å; C612-Y614 HydrophobicContact CB-CD2 4.34Å; C612-Y614 HydrophobicContact CB-CE2 3.54Å; C612-L621 HydrophobicContact CB-CD1 3.62Å |
| 613 | L | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.2 | 174.2 | 178.9 | 69.3 | 0 | 0 | 0 | 109.1 | L3 H601 L602 I603 I622 K623 F625 F691 | L3-L613 HydrophobicContact CB-CD2 4.4Å; L3-L613 HydrophobicContact CD2-CD2 4.28Å; H601-L613 HydrophobicContact CB-CD1 4.07Å; L602-L613 CarbonylContact O-C 3.54Å; L602-L613 WeakPolarHBondContact O-CA 3.36Å; I603-L613 HydrophobicContact CB-CD1 4.35Å; L613-I622 WeakPolarHBondContact O-CB 3.27Å; L613-I622 PolarHBondContact O-N 3.03Å; L613-K623 PolarHBondContact N-O 2.9Å; L613-K623 PolarHBondContact O-N 2.76Å; L613-F625 HydrophobicContact CB-CE2 4.03Å; L613-F625 HydrophobicContact CD2-CE2 4.39Å; L613-F691 HydrophobicContact CD1-CZ 3.89Å |
| 614 | Y | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 150.5 | -178 | -60.1 | -80.2 | 0 | 0 | 0 | 112 | I548 I562 D567 F590 H601 L602 A604 C612 L620 L621 | I548-Y614 HydrophobicContact CD1-CD2 4.21Å; I548-Y614 HydrophobicContact CD1-CE2 3.85Å; I562-Y614 HydrophobicContact CD1-CD1 4.13Å; I562-Y614 HydrophobicContact CD1-CG 3.97Å; I562-Y614 HydrophobicContact CG2-CD1 3.83Å; I562-Y614 HydrophobicContact CG2-CE1 3.61Å; I562-Y614 HydrophobicContact CG2-CG 4.47Å; D567-Y614 WeakPolarHBondContact OD2-CE1 3.39Å; D567-Y614 PolarHBondContact OD2-OH 3.41Å; F590-Y614 HydrophobicContact CZ-CE2 4.43Å; F590-Y614 VanDerWaalsContact CZ-OH 3.29Å; F590-Y614 WeakPolarHBondContact CZ-OH 3.45Å; H601-Y614 CarbonylContact C-O 3.51Å; H601-Y614 VanDerWaalsContact CA-O 3.23Å; H601-Y614 WeakPolarHBondContact CA-O 3.45Å; L602-Y614 HydrophobicContact CD2-CD2 4.1Å; L602-Y614 PolarHBondContact N-O 3.41Å; L602-Y614 PolarHBondContact O-N 3.08Å; A604-Y614 HydrophobicContact CB-CD2 4.44Å; A604-Y614 HydrophobicContact CB-CE2 3.96Å; C612-Y614 HydrophobicContact CB-CD2 4.34Å; C612-Y614 HydrophobicContact CB-CE2 3.54Å; Y614-L620 CarbonylContact C-O 3.51Å; Y614-L620 VanDerWaalsContact CA-O 3.26Å; Y614-L620 WeakPolarHBondContact CA-O 3.37Å; Y614-L621 HydrophobicContact CD1-CB 3.98Å; Y614-L621 HydrophobicContact CD1-CD1 3.94Å; Y614-L621 HydrophobicContact CE1-CB 3.87Å; Y614-L621 HydrophobicContact CE1-CD1 3.6Å; Y614-L621 HydrophobicContact CE1-CG 4.34Å |
| 615 | S | 93.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.8 | 161.5 | -176.9 | 0 | 0 | 0 | 0 | 108 | P617 D618 K619 L620 | S615-P617 WeakPolarHBondContact OG-CD 3.5Å; S615-D618 PolarHBondContact OG-N 2.8Å; S615-D618 PolarHBondContact OG-OD2 2.72Å; S615-K619 WeakPolarHBondContact O-CA 3.5Å; S615-K619 PolarHBondContact O-N 2.93Å; S615-L620 PolarHBondContact N-O 3.27Å; S615-L620 PolarHBondContact O-N 2.85Å |
| 616 | V | 91.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -47.5 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | F550 Y595 E600 L602 | F550-V616 HydrophobicContact CD1-CG1 4.43Å; F550-V616 HydrophobicContact CE1-CG1 3.98Å; F550-V616 HydrophobicContact CE1-CG2 4.27Å; F550-V616 HydrophobicContact CZ-CG1 4.18Å; F550-V616 HydrophobicContact CZ-CG2 4.32Å; Y595-V616 HydrophobicContact CD1-CG2 4.09Å; Y595-V616 HydrophobicContact CE1-CG1 4.23Å; Y595-V616 HydrophobicContact CE1-CG2 3.7Å; E600-V616 WeakPolarHBondContact O-CB 3.08Å; E600-V616 PolarHBondContact O-N 2.87Å; L602-V616 HydrophobicContact CB-CG2 3.92Å |
| 617 | P | 89.7 | Confident | 92.6 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -40.8 | 179.9 | 25 | -33.2 | 0 | 0 | 0 | 112.4 | E600 S615 | E600-P617 VanDerWaalsContact O-CD 3.27Å; E600-P617 WeakPolarHBondContact O-CD 3.45Å; S615-P617 WeakPolarHBondContact OG-CD 3.5Å |
| 618 | D | 90.7 | Very high | 92.7 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 59% | 0.594 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -17.7 | -177.1 | -49.4 | -53 | 0 | 0 | 0 | 113.1 | S615 L620 | S615-D618 PolarHBondContact OG-N 2.8Å; S615-D618 PolarHBondContact OG-OD2 2.72Å; D618-L620 HydrophobicContact CB-CB 4.33Å; D618-L620 HydrophobicContact CB-CD1 4.03Å; D618-L620 HydrophobicContact CB-CG 4.15Å; D618-L620 PolarHBondContact O-N 2.85Å |
| 619 | K | 92.8 | Very high | 92.6 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 36.1 | -175 | -57 | 168.8 | -177.5 | 166.5 | 0 | 112.9 | F550 M559 I562 S615 | F550-K619 HydrophobicContact CE2-CG 4.38Å; M559-K619 PolarHBondContact O-NZ 2.84Å; I562-K619 HydrophobicContact CD1-CB 4.48Å; I562-K619 HydrophobicContact CG1-CB 3.91Å; I562-K619 HydrophobicContact CG1-CG 4.44Å; S615-K619 WeakPolarHBondContact O-CA 3.5Å; S615-K619 PolarHBondContact O-N 2.93Å |
| 620 | L | 92.6 | Very high | 92.6 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 60% | 0.597 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147 | -176.9 | -69.4 | 173.3 | 0 | 0 | 0 | 111.7 | Y614 S615 D618 I622 | Y614-L620 CarbonylContact C-O 3.51Å; Y614-L620 VanDerWaalsContact CA-O 3.26Å; Y614-L620 WeakPolarHBondContact CA-O 3.37Å; S615-L620 PolarHBondContact N-O 3.27Å; S615-L620 PolarHBondContact O-N 2.85Å; D618-L620 HydrophobicContact CB-CB 4.33Å; D618-L620 HydrophobicContact CB-CD1 4.03Å; D618-L620 HydrophobicContact CB-CG 4.15Å; D618-L620 PolarHBondContact O-N 2.85Å; L620-I622 PolarHBondContact O-N 3.46Å |
| 621 | L | 93.8 | Very high | 92.3 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.7 | 168.8 | -176.9 | 73.1 | 0 | 0 | 0 | 109.6 | D567 C612 Y614 | D567-L621 HydrophobicContact CB-CD2 4.42Å; C612-L621 HydrophobicContact CB-CD1 3.62Å; Y614-L621 HydrophobicContact CD1-CB 3.98Å; Y614-L621 HydrophobicContact CD1-CD1 3.94Å; Y614-L621 HydrophobicContact CE1-CB 3.87Å; Y614-L621 HydrophobicContact CE1-CD1 3.6Å; Y614-L621 HydrophobicContact CE1-CG 4.34Å |
| 622 | I | 92.2 | Very high | 91.9 | Very high | 71 Ų | 71 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -48.7 | 176.9 | -55.6 | 178 | 0 | 0 | 0 | 110.2 | L3 H601 L613 L620 | L3-I622 HydrophobicContact CD1-CD1 3.56Å; L3-I622 HydrophobicContact CD1-CG2 3.84Å; H601-I622 VanDerWaalsContact ND1-CD1 3.33Å; H601-I622 WeakPolarHBondContact ND1-CD1 3.4Å; L613-I622 WeakPolarHBondContact O-CB 3.27Å; L613-I622 PolarHBondContact O-N 3.03Å; L620-I622 PolarHBondContact O-N 3.46Å |
| 623 | K | 92.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 143.5 | -173.7 | -170 | 168.5 | 175.4 | -174.2 | 0 | 111.4 | F5 L613 F625 | F5-K623 PolarHBondContact O-NZ 2.96Å; L613-K623 PolarHBondContact N-O 2.9Å; L613-K623 PolarHBondContact O-N 2.76Å; K623-F625 HydrophobicContact CB-CE2 4.36Å; K623-F625 HydrophobicContact CB-CZ 4.44Å; K623-F625 HydrophobicContact CD-CE1 3.78Å; K623-F625 HydrophobicContact CD-CE2 4.33Å; K623-F625 HydrophobicContact CD-CZ 3.65Å; K623-F625 VanDerWaalsContact CE-CE1 3.48Å; K623-F625 HydrophobicContact CG-CE1 4.31Å; K623-F625 HydrophobicContact CG-CE2 4.22Å; K623-F625 HydrophobicContact CG-CZ 4.04Å |
| 624 | R | 92.8 | Very high | 90.7 | Very high | 108 Ų | 108 | 46.1 Ų | 46.1 | 41% | 0.408 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.7 | 170.6 | -166.5 | 174.4 | 69.7 | 174.1 | 1.3 | 109.4 | D567 Y610 I611 | D567-R624 WeakPolarHBondContact O-CD 3.36Å; D567-R624 PolarHBondContact O-NH1 3.21Å; Y610-R624 HydrophobicContact CD1-CG 3.64Å; Y610-R624 HydrophobicContact CE1-CG 4.46Å; Y610-R624 VanDerWaalsContact CG-CD 3.46Å; Y610-R624 HydrophobicContact CG-CG 3.78Å; Y610-R624 VanDerWaalsContact CZ-CZ 3.49Å; Y610-R624 PolarHBondContact OH-NH2 3.08Å; I611-R624 CarbonylContact O-C 3.34Å; I611-R624 WeakPolarHBondContact O-CA 3.36Å |
| 625 | F | 93.1 | Very high | 90 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.4 | 175.3 | -55.8 | -92 | 0 | 0 | 0 | 109 | F5 Y610 I611 L613 K623 F698 Y709 | F5-F625 HydrophobicContact CB-CE1 3.92Å; F5-F625 HydrophobicContact CB-CZ 3.97Å; F5-F625 HydrophobicContact CD2-CZ 4.31Å; Y610-F625 CarbonylContact C-O 3.58Å; Y610-F625 VanDerWaalsContact CA-O 3.31Å; Y610-F625 WeakPolarHBondContact CA-O 3.41Å; I611-F625 HydrophobicContact CB-CB 4.24Å; I611-F625 HydrophobicContact CB-CD2 4.48Å; I611-F625 HydrophobicContact CG2-CD2 4.48Å; I611-F625 PolarHBondContact N-O 3.06Å; I611-F625 PolarHBondContact O-N 2.91Å; L613-F625 HydrophobicContact CB-CE2 4.03Å; L613-F625 HydrophobicContact CD2-CE2 4.39Å; K623-F625 HydrophobicContact CB-CE2 4.36Å; K623-F625 HydrophobicContact CB-CZ 4.44Å; K623-F625 HydrophobicContact CD-CE1 3.78Å; K623-F625 HydrophobicContact CD-CE2 4.33Å; K623-F625 HydrophobicContact CD-CZ 3.65Å; K623-F625 VanDerWaalsContact CE-CE1 3.48Å; K623-F625 HydrophobicContact CG-CE1 4.31Å; K623-F625 HydrophobicContact CG-CE2 4.22Å; K623-F625 HydrophobicContact CG-CZ 4.04Å; F625-F698 HydrophobicContact CD1-CZ 4.43Å; F625-F698 HydrophobicContact CD2-CZ 4.13Å; F625-F698 HydrophobicContact CE1-CE1 4.47Å; F625-F698 HydrophobicContact CE1-CZ 4.25Å; F625-F698 HydrophobicContact CE2-CE1 4.23Å; F625-F698 AromaticContact CE2-CZ 3.96Å; F625-F698 HydrophobicContact CE2-CZ 3.96Å; F625-F698 HydrophobicContact CG-CZ 4.37Å; F625-F698 HydrophobicContact CZ-CE1 4.03Å; F625-F698 HydrophobicContact CZ-CZ 4.02Å; F625-Y709 HydrophobicContact CD1-CD1 4.16Å; F625-Y709 HydrophobicContact CD1-CE1 4.1Å |
| 626 | E | 92.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 46.6 Ų | 46.6 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.3 | 168.6 | -169.9 | 162.1 | -165.2 | 0 | 0 | 108.4 | K609 Y610 | K609-E626 HydrophobicContact CD-CG 4.19Å; K609-E626 WeakPolarHBondContact CE-OE1 3.47Å; K609-E626 IonicContact NZ-OE1 3.41Å; K609-E626 PolarHBondContact NZ-OE1 3.26Å; Y610-E626 HydrophobicContact CD1-CB 4.19Å; Y610-E626 HydrophobicContact CD1-CG 4.47Å; Y610-E626 HydrophobicContact CE1-CB 3.92Å; Y610-E626 HydrophobicContact CE1-CG 4Å |
| 627 | V | 91.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -67.5 | -47.3 | -179.3 | 162.5 | 0 | 0 | 0 | 0 | 110.8 | K609 I611 V686 T702 L707 | K609-V627 VanDerWaalsContact O-CB 3.25Å; K609-V627 WeakPolarHBondContact O-CB 3.39Å; K609-V627 VanDerWaalsContact O-CG2 3.31Å; K609-V627 WeakPolarHBondContact O-CG2 3.21Å; K609-V627 PolarHBondContact O-N 2.77Å; I611-V627 HydrophobicContact CD1-CG2 3.41Å; I611-V627 VanDerWaalsContact CD1-CG2 3.41Å; I611-V627 HydrophobicContact CG1-CG2 3.74Å; V627-V686 HydrophobicContact CG2-CG2 3.8Å; V627-T702 HydrophobicContact CG1-CG2 3.65Å; V627-T702 HydrophobicContact CG2-CG2 4.25Å; V627-L707 HydrophobicContact CB-CD1 4.25Å; V627-L707 HydrophobicContact CG1-CD1 3.67Å; V627-L707 HydrophobicContact CG2-CD1 4.46Å | ||
| 628 | T | 90.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -155 | 145.7 | -175 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | N630 L633 V636 V684 E704 | T628-N630 WeakPolarHBondContact OG1-CB 3.31Å; T628-N630 PolarHBondContact OG1-N 3.32Å; T628-L633 HydrophobicContact CG2-CD1 4.12Å; T628-V636 HydrophobicContact CG2-CG2 4.17Å; T628-V684 HydrophobicContact CG2-CG1 3.92Å; T628-V684 HydrophobicContact CG2-CG2 3.79Å; T628-E704 WeakPolarHBondContact CB-OE2 3.31Å; T628-E704 VanDerWaalsContact OG1-CD 3.32Å; T628-E704 PolarHBondContact OG1-OE1 3.02Å; T628-E704 PolarHBondContact OG1-OE2 2.75Å | ||
| 629 | C | 90.3 | Very high | 87.9 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 28% | 0.284 | 25% | 0.248 | S | C | . | . | trans | -101.8 | 8.5 | 170.5 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | N35 S53 S54 L631 | N35-C629 PolarHBondContact ND2-SG 2.97Å; S53-C629 VanDerWaalsContact C-SG 3.54Å; S53-C629 PolarHBondContact O-SG 3.37Å; S54-C629 PolarHBondContact O-SG 3.44Å; C629-L631 PolarHBondContact O-N 3.47Å | ||
| 630 | N | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -74 | 107.4 | -172.6 | -169.7 | -2.3 | 0 | 0 | 0 | 113 | N35 H56 D57 T628 S632 L633 V636 E704 | N35-N630 HydrophobicContact CB-CB 4.2Å; H56-N630 WeakPolarHBondContact CA-OD1 2.98Å; D57-N630 PolarHBondContact OD1-ND2 2.71Å; T628-N630 WeakPolarHBondContact OG1-CB 3.31Å; T628-N630 PolarHBondContact OG1-N 3.32Å; N630-S632 PolarHBondContact O-N 2.96Å; N630-S632 VanDerWaalsContact OD1-CB 3.24Å; N630-S632 WeakPolarHBondContact OD1-CB 3.1Å; N630-S632 PolarHBondContact OD1-N 2.89Å; N630-S632 PolarHBondContact OD1-OG 3.01Å; N630-L633 HydrophobicContact CB-CD1 4.35Å; N630-L633 HydrophobicContact CB-CG 4.45Å; N630-L633 PolarHBondContact O-N 2.9Å; N630-V636 VanDerWaalsContact O-CG2 3.3Å; N630-V636 WeakPolarHBondContact O-CG2 3.29Å; N630-E704 WeakPolarHBondContact CB-OE1 3.36Å; N630-E704 PolarHBondContact ND2-OE1 3.14Å | ||
| 631 | L | 87.4 | Confident | 86 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.8 | 177.9 | -59.9 | 174.3 | 0 | 0 | 0 | 113.4 | S55 C629 L633 V636 Q637 | S55-L631 VanDerWaalsContact O-CB 3.29Å; S55-L631 WeakPolarHBondContact O-CB 3.43Å; S55-L631 WeakPolarHBondContact O-CG 3.31Å; S55-L631 PolarHBondContact O-N 3.38Å; C629-L631 PolarHBondContact O-N 3.47Å; L631-L633 PolarHBondContact O-N 3.39Å; L631-V636 HydrophobicContact CD2-CB 4.44Å; L631-V636 HydrophobicContact CD2-CG1 4.14Å; L631-Q637 HydrophobicContact CD2-CB 4.1Å |
| 632 | S | 85.4 | Confident | 85 | Confident | 13 Ų | 13 | 53 Ų | 53 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.7 | 168.2 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | D57 E75 N630 R681 | D57-S632 PolarHBondContact N-OG 3.43Å; E75-S632 PolarHBondContact OE2-OG 3.44Å; N630-S632 PolarHBondContact O-N 2.96Å; N630-S632 VanDerWaalsContact OD1-CB 3.24Å; N630-S632 WeakPolarHBondContact OD1-CB 3.1Å; N630-S632 PolarHBondContact OD1-N 2.89Å; N630-S632 PolarHBondContact OD1-OG 3.01Å; S632-R681 WeakPolarHBondContact O-CD 3.16Å |
| 633 | L | 85.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -97.6 | 148.2 | 171.8 | -56.9 | 176.1 | 0 | 0 | 0 | 111.6 | T628 N630 L631 V636 P682 V684 E704 | T628-L633 HydrophobicContact CG2-CD1 4.12Å; N630-L633 HydrophobicContact CB-CD1 4.35Å; N630-L633 HydrophobicContact CB-CG 4.45Å; N630-L633 PolarHBondContact O-N 2.9Å; L631-L633 PolarHBondContact O-N 3.39Å; L633-V636 HydrophobicContact CB-CG2 4.27Å; L633-P682 HydrophobicContact CD2-CB 4.04Å; L633-P682 HydrophobicContact CD2-CG 3.68Å; L633-V684 HydrophobicContact CB-CG2 3.43Å; L633-V684 VanDerWaalsContact CB-CG2 3.43Å; L633-V684 HydrophobicContact CD1-CG2 3.63Å; L633-V684 HydrophobicContact CG-CG2 4.16Å; L633-E704 HydrophobicContact CD1-CG 3.52Å; L633-E704 WeakPolarHBondContact CD1-OE1 3.21Å |
| 634 | A | 81.8 | Confident | 83 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 149.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T573 R681 P682 E683 V684 | T573-A634 WeakPolarHBondContact O-CB 3.39Å; A634-R681 HydrophobicContact CB-CB 4.18Å; A634-P682 PolarHBondContact N-O 2.79Å; A634-E683 HydrophobicContact CB-CG 4.01Å; A634-V684 PolarHBondContact O-N 2.88Å |
| 635 | G | 80.4 | Confident | 81.6 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 8.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A571 Q572 | A571-G635 WeakPolarHBondContact CB-O 3.14Å; Q572-G635 WeakPolarHBondContact O-CA 3.49Å; Q572-G635 PolarHBondContact O-N 2.9Å |
| 636 | V | 85.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | trans | -89.1 | -38.3 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 112.8 | K609 T628 N630 L631 L633 V684 | K609-V636 HydrophobicContact CD-CG1 4.17Å; K609-V636 WeakPolarHBondContact CE-O 3.26Å; K609-V636 PolarHBondContact NZ-O 2.9Å; T628-V636 HydrophobicContact CG2-CG2 4.17Å; N630-V636 VanDerWaalsContact O-CG2 3.3Å; N630-V636 WeakPolarHBondContact O-CG2 3.29Å; L631-V636 HydrophobicContact CD2-CB 4.44Å; L631-V636 HydrophobicContact CD2-CG1 4.14Å; L633-V636 HydrophobicContact CB-CG2 4.27Å; V636-V684 HydrophobicContact CG2-CB 4.33Å; V636-V684 HydrophobicContact CG2-CG2 3.39Å | ||
| 637 | Q | 80.4 | Confident | 79.2 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | trans | -87.7 | 131.7 | -176.5 | -162.9 | 173.6 | 9.6 | 0 | 0 | 111 | Q572 L631 I639 | Q572-Q637 PolarHBondContact N-O 2.59Å; L631-Q637 HydrophobicContact CD2-CB 4.1Å; Q637-I639 VanDerWaalsContact CG-O 3.26Å; Q637-I639 WeakPolarHBondContact CG-O 3.17Å; Q637-I639 PolarHBondContact NE2-O 3.35Å | ||
| 638 | E | 78.6 | Confident | 77.7 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -71 | -40.6 | 178.1 | -51.6 | -161 | 152.4 | 0 | 0 | 112.2 | V570 | V570-E638 WeakPolarHBondContact O-CA 3.25Å; V570-E638 VanDerWaalsContact O-CB 3.32Å; V570-E638 WeakPolarHBondContact O-CB 3.43Å; V570-E638 WeakPolarHBondContact O-CG 3.22Å |
| 639 | I | 76.2 | Confident | 76.2 | Confident | 122 Ų | 122 | 72.5 Ų | 72.5 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -134.8 | 114.2 | -177.7 | -58.2 | 171.5 | 0 | 0 | 0 | 107.8 | Q637 | Q637-I639 VanDerWaalsContact CG-O 3.26Å; Q637-I639 WeakPolarHBondContact CG-O 3.17Å; Q637-I639 PolarHBondContact NE2-O 3.35Å |
| 640 | H | 73.2 | Confident | 74.8 | Confident | 33 Ų | 33 | 73 Ų | 73 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | trans | -64.8 | 141.8 | 174.1 | -69.2 | 92.3 | 0 | 0 | 0 | 111.5 | Q572 R642 | Q572-H640 WeakPolarHBondContact CB-CE1 3.2Å; Q572-H640 WeakPolarHBondContact CB-ND1 3.32Å; Q572-H640 PolarHBondContact OE1-ND1 3.44Å; H640-R642 PolarHBondContact O-N 3.17Å | ||
| 641 | D | 72.1 | Confident | 73.6 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | trans | -70.2 | 112.5 | 170.4 | -172.9 | -4.8 | 0 | 0 | 0 | 109.7 | R643 N644 | D641-R643 PolarHBondContact O-N 3.06Å; D641-R643 VanDerWaalsContact O-N 3.11Å; D641-R643 WeakPolarHBondContact OD1-CB 3.44Å; D641-R643 WeakPolarHBondContact OD1-CG 3.43Å; D641-R643 PolarHBondContact OD1-N 3.49Å; D641-N644 PolarHBondContact O-N 3.26Å | ||
| 642 | R | 72 | Confident | 72.3 | Confident | 227 Ų | 227 | 75.8 Ų | 75.8 | 86% | 0.857 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.9 | -23.2 | -179.2 | -66.2 | -176 | 179.9 | -179.6 | -0.5 | 113 | H640 N644 Y645 | H640-R642 PolarHBondContact O-N 3.17Å; R642-N644 VanDerWaalsContact C-N 3.26Å; R642-N644 PolarHBondContact O-N 3.24Å; R642-Y645 WeakPolarHBondContact O-CB 3.43Å; R642-Y645 PolarHBondContact O-N 3.25Å |
| 643 | R | 75.6 | Confident | 71.2 | Confident | 215 Ų | 215 | 77.6 Ų | 77.6 | 81% | 0.811 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -33.5 | 177.1 | -64.1 | 174.3 | 176.2 | 175.8 | 0.2 | 111.9 | D641 | D641-R643 PolarHBondContact O-N 3.06Å; D641-R643 VanDerWaalsContact O-N 3.11Å; D641-R643 WeakPolarHBondContact OD1-CB 3.44Å; D641-R643 WeakPolarHBondContact OD1-CG 3.43Å; D641-R643 PolarHBondContact OD1-N 3.49Å |
| 644 | N | 67.5 | Low | 70.1 | Confident | 59 Ų | 59 | 82 Ų | 82 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -84.2 | -15 | -176.2 | -69.5 | -18.2 | 0 | 0 | 0 | 113.3 | D641 R642 L646 H647 R648 | D641-N644 PolarHBondContact O-N 3.26Å; R642-N644 VanDerWaalsContact C-N 3.26Å; R642-N644 PolarHBondContact O-N 3.24Å; N644-L646 PolarHBondContact O-N 3.4Å; N644-H647 PolarHBondContact O-N 3.08Å; N644-R648 HydrophobicContact CB-CG 4.43Å; N644-R648 WeakPolarHBondContact O-CB 3.36Å; N644-R648 PolarHBondContact O-N 3.28Å |
| 645 | Y | 63.6 | Low | 69.2 | Low | 101 Ų | 101 | 84 Ų | 84 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.4 | -51.3 | -174.1 | -169.6 | -98.8 | 0 | 0 | 0 | 112.6 | E575 R642 F649 | E575-Y645 HydrophobicContact CB-CE2 4.43Å; E575-Y645 WeakPolarHBondContact O-CE2 3.17Å; R642-Y645 WeakPolarHBondContact O-CB 3.43Å; R642-Y645 PolarHBondContact O-N 3.25Å; Y645-F649 HydrophobicContact CE2-CE2 4.47Å |
| 646 | L | 67.3 | Low | 68.1 | Low | 140 Ų | 140 | 84.9 Ų | 84.9 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.4 | -37.6 | 178.9 | -66.6 | 174.2 | 0 | 0 | 0 | 112.3 | N644 S650 | N644-L646 PolarHBondContact O-N 3.4Å; L646-S650 PolarHBondContact O-N 3.01Å; L646-S650 VanDerWaalsContact O-N 3.17Å; L646-S650 PolarHBondContact O-OG 2.71Å |
| 647 | H | 66.8 | Low | 67 | Low | 116 Ų | 116 | 93 Ų | 93 | 54% | 0.537 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.8 | -47.6 | -176.6 | -177.7 | -85.3 | 0 | 0 | 0 | 111.7 | N644 S650 M651 | N644-H647 PolarHBondContact O-N 3.08Å; H647-S650 PolarHBondContact O-N 2.82Å; H647-S650 PolarHBondContact O-OG 3.23Å; H647-M651 WeakPolarHBondContact O-CG 3Å; H647-M651 PolarHBondContact O-N 2.79Å |
| 648 | R | 60.7 | Low | 66.1 | Low | 49 Ų | 49 | 96.9 Ų | 96.9 | 19% | 0.185 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | -179.9 | -74.4 | -177.7 | -178.5 | 167.8 | -1.7 | 111.8 | E575 N644 S650 M651 E652 | E575-R648 WeakPolarHBondContact OE1-CD 3.28Å; E575-R648 IonicContact OE1-CZ 3.66Å; E575-R648 IonicContact OE1-NH1 3.99Å; E575-R648 PolarHBondContact OE1-NH1 2.99Å; N644-R648 HydrophobicContact CB-CG 4.43Å; N644-R648 WeakPolarHBondContact O-CB 3.36Å; N644-R648 PolarHBondContact O-N 3.28Å; R648-S650 PolarHBondContact O-N 3.37Å; R648-M651 PolarHBondContact O-N 2.95Å; R648-M651 VanDerWaalsContact O-N 3.08Å; R648-E652 WeakPolarHBondContact O-CB 3.05Å; R648-E652 WeakPolarHBondContact O-CG 3.29Å; R648-E652 PolarHBondContact O-N 2.81Å |
| 649 | F | 58.8 | Low | 65.1 | Low | 89 Ų | 89 | 95 Ų | 95 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.3 | -42.4 | 175.4 | -103.3 | -81.6 | 0 | 0 | 0 | 112.6 | D576 Y645 A653 | D576-F649 VanDerWaalsContact OD1-CZ 3.25Å; D576-F649 WeakPolarHBondContact OD1-CZ 3.37Å; Y645-F649 HydrophobicContact CE2-CE2 4.47Å; F649-A653 WeakPolarHBondContact O-CB 3.48Å; F649-A653 PolarHBondContact O-N 2.79Å |
| 650 | S | 61 | Low | 64.2 | Low | 52 Ų | 52 | 98.2 Ų | 98.2 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 177.8 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | L646 H647 R648 M654 | L646-S650 PolarHBondContact O-N 3.01Å; L646-S650 VanDerWaalsContact O-N 3.17Å; L646-S650 PolarHBondContact O-OG 2.71Å; H647-S650 PolarHBondContact O-N 2.82Å; H647-S650 PolarHBondContact O-OG 3.23Å; R648-S650 PolarHBondContact O-N 3.37Å; S650-M654 WeakPolarHBondContact O-CB 3.49Å; S650-M654 VanDerWaalsContact O-CG 3.31Å; S650-M654 WeakPolarHBondContact O-CG 3.23Å; S650-M654 PolarHBondContact O-N 3.2Å |
| 651 | M | 65.1 | Low | 63.3 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 36% | 0.36 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 178.8 | -75.1 | -63.6 | -61.5 | 0 | 0 | 112.1 | H647 R648 A653 M654 N655 | H647-M651 WeakPolarHBondContact O-CG 3Å; H647-M651 PolarHBondContact O-N 2.79Å; R648-M651 PolarHBondContact O-N 2.95Å; R648-M651 VanDerWaalsContact O-N 3.08Å; M651-A653 VanDerWaalsContact C-N 3.31Å; M651-A653 PolarHBondContact O-N 3.25Å; M651-M654 PolarHBondContact O-N 2.98Å; M651-M654 HydrophobicContact SD-CE 4.41Å; M651-N655 WeakPolarHBondContact O-CB 3.39Å; M651-N655 PolarHBondContact O-N 3.4Å; M651-N655 PolarHBondContact O-OD1 2.77Å |
| 652 | E | 61.3 | Low | 62.2 | Low | 40 Ų | 40 | 108.1 Ų | 108.1 | 19% | 0.187 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.3 | -69.4 | 178 | -170.9 | 0 | 0 | 110.8 | R648 A656 R681 | R648-E652 WeakPolarHBondContact O-CB 3.05Å; R648-E652 WeakPolarHBondContact O-CG 3.29Å; R648-E652 PolarHBondContact O-N 2.81Å; E652-A656 VanDerWaalsContact O-CB 3.31Å; E652-A656 WeakPolarHBondContact O-CB 3.38Å; E652-A656 PolarHBondContact O-N 3.46Å; E652-R681 IonicContact OE1-CZ 3.65Å; E652-R681 IonicContact OE1-NH2 2.92Å; E652-R681 PolarHBondContact OE1-NH2 2.97Å |
| 653 | A | 60.5 | Low | 61.2 | Low | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F649 M651 K657 | F649-A653 WeakPolarHBondContact O-CB 3.48Å; F649-A653 PolarHBondContact O-N 2.79Å; M651-A653 VanDerWaalsContact C-N 3.31Å; M651-A653 PolarHBondContact O-N 3.25Å; A653-K657 WeakPolarHBondContact O-CB 3.29Å; A653-K657 PolarHBondContact O-N 3.3Å |
| 654 | M | 62.7 | Low | 60.1 | Low | 100 Ų | 100 | 96.6 Ų | 96.6 | 49% | 0.493 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.5 | -47.9 | 176.6 | -76.4 | -152.9 | -83.6 | 0 | 0 | 111.9 | S650 M651 A656 K657 E658 | S650-M654 WeakPolarHBondContact O-CB 3.49Å; S650-M654 VanDerWaalsContact O-CG 3.31Å; S650-M654 WeakPolarHBondContact O-CG 3.23Å; S650-M654 PolarHBondContact O-N 3.2Å; M651-M654 PolarHBondContact O-N 2.98Å; M651-M654 HydrophobicContact SD-CE 4.41Å; M654-A656 VanDerWaalsContact C-N 3.32Å; M654-A656 PolarHBondContact O-N 3.35Å; M654-K657 CarbonylContact O-C 3.52Å; M654-K657 WeakPolarHBondContact O-CA 3.42Å; M654-K657 WeakPolarHBondContact O-CB 3.42Å; M654-K657 PolarHBondContact O-N 2.85Å; M654-E658 WeakPolarHBondContact O-CG 3Å; M654-E658 PolarHBondContact O-N 3.47Å |
| 655 | N | 62.7 | Low | 59.5 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 31% | 0.305 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 177.8 | -70.2 | -9.1 | 0 | 0 | 0 | 111.8 | M651 K657 E658 A659 | M651-N655 WeakPolarHBondContact O-CB 3.39Å; M651-N655 PolarHBondContact O-N 3.4Å; M651-N655 PolarHBondContact O-OD1 2.77Å; N655-K657 VanDerWaalsContact C-N 3.29Å; N655-K657 PolarHBondContact O-N 2.86Å; N655-E658 PolarHBondContact O-N 3.26Å; N655-A659 WeakPolarHBondContact O-CB 2.87Å; N655-A659 PolarHBondContact O-N 2.8Å |
| 656 | A | 58.1 | Low | 59.3 | Low | 29 Ų | 29 | 99.7 Ų | 99.7 | 24% | 0.24 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E652 M654 R678 | E652-A656 VanDerWaalsContact O-CB 3.31Å; E652-A656 WeakPolarHBondContact O-CB 3.38Å; E652-A656 PolarHBondContact O-N 3.46Å; M654-A656 VanDerWaalsContact C-N 3.32Å; M654-A656 PolarHBondContact O-N 3.35Å; A656-R678 HydrophobicContact CB-CB 4.38Å |
| 657 | K | 62.6 | Low | 58.7 | Low | 175 Ų | 175 | 98 Ų | 98 | 76% | 0.761 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.5 | -39.5 | 176.5 | -166.2 | -179.2 | -178.9 | -176 | 0 | 111.5 | A653 M654 N655 | A653-K657 WeakPolarHBondContact O-CB 3.29Å; A653-K657 PolarHBondContact O-N 3.3Å; M654-K657 CarbonylContact O-C 3.52Å; M654-K657 WeakPolarHBondContact O-CA 3.42Å; M654-K657 WeakPolarHBondContact O-CB 3.42Å; M654-K657 PolarHBondContact O-N 2.85Å; N655-K657 VanDerWaalsContact C-N 3.29Å; N655-K657 PolarHBondContact O-N 2.86Å |
| 658 | E | 61.3 | Low | 58.3 | Low | 143 Ų | 143 | 97.3 Ų | 97.3 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.3 | -42 | 177.2 | -74.7 | 178.7 | -178.7 | 0 | 0 | 112.2 | M654 N655 K660 | M654-E658 WeakPolarHBondContact O-CG 3Å; M654-E658 PolarHBondContact O-N 3.47Å; N655-E658 PolarHBondContact O-N 3.26Å; E658-K660 PolarHBondContact O-N 3.01Å; E658-K660 VanDerWaalsContact O-N 3.07Å |
| 659 | A | 58.9 | Low | 58.3 | Low | 54 Ų | 54 | 96.7 Ų | 96.7 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N655 R661 | N655-A659 WeakPolarHBondContact O-CB 2.87Å; N655-A659 PolarHBondContact O-N 2.8Å; A659-R661 HydrophobicContact CB-CG 4.43Å; A659-R661 PolarHBondContact O-N 2.74Å |
| 660 | K | 57.1 | Low | 58.3 | Low | 188 Ų | 188 | 99 Ų | 99 | 82% | 0.817 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 21.8 | -176.6 | -66.1 | -177.8 | -177.9 | 173.9 | 0 | 114.3 | E658 P662 | E658-K660 PolarHBondContact O-N 3.01Å; E658-K660 VanDerWaalsContact O-N 3.07Å; K660-P662 VanDerWaalsContact O-CD 3.31Å; K660-P662 WeakPolarHBondContact O-CD 2.93Å |
| 661 | R | 53.5 | Low | 57.9 | Low | 195 Ų | 195 | 103.2 Ų | 103.2 | 74% | 0.736 | 54% | 0.537 | S | S | * | . | trans | -84.3 | 115.8 | 179.9 | -76.3 | -179.3 | 179.2 | 150.1 | 0.9 | 108.5 | A659 S663 | A659-R661 HydrophobicContact CB-CG 4.43Å; A659-R661 PolarHBondContact O-N 2.74Å; R661-S663 VanDerWaalsContact C-N 3.28Å; R661-S663 PolarHBondContact O-N 3.27Å | ||
| 662 | P | 49.3 | Very low | 57.3 | Low | 118 Ų | 118 | 100.9 Ų | 100.9 | 77% | 0.766 | 53% | 0.532 | S | S | * | . | trans | -72.3 | 88.1 | 171.8 | 30.4 | -32.2 | 0 | 0 | 0 | 108.4 | K660 L664 | K660-P662 VanDerWaalsContact O-CD 3.31Å; K660-P662 WeakPolarHBondContact O-CD 2.93Å; P662-L664 VanDerWaalsContact C-N 3.32Å; P662-L664 PolarHBondContact O-N 2.82Å; P662-L664 VanDerWaalsContact O-N 3.1Å | ||
| 663 | S | 51.7 | Low | 56.8 | Low | 44 Ų | 44 | 106.6 Ų | 106.6 | 31% | 0.308 | 56% | 0.559 | S | S | . | * | trans | -86 | 77.7 | 177.6 | 79.1 | 0 | 0 | 0 | 0 | 109.2 | R661 R665 S676 | R661-S663 VanDerWaalsContact C-N 3.28Å; R661-S663 PolarHBondContact O-N 3.27Å; S663-R665 PolarHBondContact O-N 3.35Å; S663-S676 WeakPolarHBondContact CB-O 3.45Å; S663-S676 PolarHBondContact OG-O 3.5Å | ||
| 664 | L | 51.9 | Low | 56.2 | Low | 155 Ų | 155 | 106.5 Ų | 106.5 | 81% | 0.812 | 55% | 0.551 | S | S | * | * | trans | -74.9 | 91.3 | 173.1 | -82.6 | 157.2 | 0 | 0 | 0 | 108.8 | P662 I666 | P662-L664 VanDerWaalsContact C-N 3.32Å; P662-L664 PolarHBondContact O-N 2.82Å; P662-L664 VanDerWaalsContact O-N 3.1Å; L664-I666 PolarHBondContact O-N 3.06Å | ||
| 665 | R | 53.6 | Low | 55.7 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 40% | 0.404 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 131.6 | 168.3 | -179.2 | -172.8 | -179.9 | -163.2 | 2.3 | 109.4 | S663 P667 S669 S676 | S663-R665 PolarHBondContact O-N 3.35Å; R665-P667 VanDerWaalsContact O-CD 3.31Å; R665-P667 WeakPolarHBondContact O-CD 3.46Å; R665-S669 PolarHBondContact NH2-O 2.84Å; R665-S676 WeakPolarHBondContact CA-OG 3.3Å |
| 666 | I | 61.1 | Low | 54.9 | Low | 118 Ų | 118 | 107 Ų | 107 | 61% | 0.605 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 117 | 159.1 | -54.3 | 174.7 | 0 | 0 | 0 | 107.4 | L664 S668 S669 | L664-I666 PolarHBondContact O-N 3.06Å; I666-S668 PolarHBondContact O-N 2.91Å; I666-S669 PolarHBondContact O-N 2.74Å; I666-S669 PolarHBondContact O-OG 2.93Å |
| 667 | P | 54.1 | Low | 54.3 | Low | 105 Ų | 105 | 110.4 Ų | 110.4 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 136.6 | -179.8 | -25.5 | 34.8 | 0 | 0 | 0 | 111.3 | R665 S669 | R665-P667 VanDerWaalsContact O-CD 3.31Å; R665-P667 WeakPolarHBondContact O-CD 3.46Å; P667-S669 PolarHBondContact O-N 3.15Å |
| 668 | S | 58.5 | Low | 53.6 | Low | 101 Ų | 101 | 111.2 Ų | 111.2 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | 1.6 | 176.2 | -48.7 | 0 | 0 | 0 | 0 | 118.7 | I666 I670 | I666-S668 PolarHBondContact O-N 2.91Å; S668-I670 PolarHBondContact O-N 2.81Å |
| 669 | S | 61.5 | Low | 53.1 | Low | 36 Ų | 36 | 109.3 Ų | 109.3 | 25% | 0.252 | 54% | 0.544 | S | S | . | . | trans | -67.2 | 123.5 | 167 | 62.1 | 0 | 0 | 0 | 0 | 109.9 | R665 I666 P667 | R665-S669 PolarHBondContact NH2-O 2.84Å; I666-S669 PolarHBondContact O-N 2.74Å; I666-S669 PolarHBondContact O-OG 2.93Å; P667-S669 PolarHBondContact O-N 3.15Å | ||
| 670 | I | 58.6 | Low | 53 | Low | 139 Ų | 139 | 111.3 Ų | 111.3 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | trans | -118.3 | -31.9 | -179.2 | -62.7 | 169.3 | 0 | 0 | 0 | 111.1 | S668 | S668-I670 PolarHBondContact O-N 2.81Š| ||
| 671 | K | 52.5 | Low | 53.7 | Low | 139 Ų | 139 | 105.9 Ų | 105.9 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -115.1 | 126.5 | -174 | -65.8 | -176.3 | 178.6 | -180 | 0 | 112 | E673 | K671-E673 PolarHBondContact O-N 2.93Š|
| 672 | G | 51.7 | Low | 54.8 | Low | 24 Ų | 24 | 98.2 Ų | 98.2 | 25% | 0.247 | 49% | 0.489 | C | S | . | . | S | Bend | trans | 61.6 | -8.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | K339 | K339-G672 WeakPolarHBondContact CD-O 3.28Å; K339-G672 WeakPolarHBondContact CE-O 3.26Å; K339-G672 PolarHBondContact NZ-O 3.1Å; K339-G672 VanDerWaalsContact NZ-O 3.08Å |
| 673 | E | 50.5 | Low | 56.4 | Low | 160 Ų | 160 | 96.9 Ų | 96.9 | 75% | 0.748 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -109.8 | -27.9 | -167.7 | -70.7 | -173.7 | 165.4 | 0 | 0 | 115.2 | K671 | K671-E673 PolarHBondContact O-N 2.93Š|
| 674 | D | 48.6 | Very low | 58.2 | Low | 49 Ų | 49 | 95.2 Ų | 95.2 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | trans | -138.7 | 107.6 | -171.9 | -164.2 | 1.7 | 0 | 0 | 0 | 112.7 | S676 | D674-S676 PolarHBondContact O-N 2.79Å; D674-S676 WeakPolarHBondContact OD1-CB 3.47Å; D674-S676 PolarHBondContact OD1-N 2.83Å; D674-S676 PolarHBondContact OD1-OG 2.9Å; D674-S676 PolarHBondContact OD2-OG 3.2Å | ||
| 675 | R | 51.9 | Low | 60 | Low | 141 Ų | 141 | 89.7 Ų | 89.7 | 53% | 0.532 | 43% | 0.429 | S | S | . | . | trans | -78.8 | 2.6 | 172.6 | -72.4 | -176.5 | 172.2 | 179.5 | -3.5 | 112.5 | L316 S338 R677 | L316-R675 PolarHBondContact O-NH1 3.24Å; S338-R675 PolarHBondContact O-NH2 2.88Å; R675-R677 PolarHBondContact O-N 2.87Å | ||
| 676 | S | 46 | Very low | 61.9 | Low | 28 Ų | 28 | 84.6 Ų | 84.6 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | trans | -77 | 23.6 | -173.6 | 79 | 0 | 0 | 0 | 0 | 116.1 | S663 R665 D674 | S663-S676 WeakPolarHBondContact CB-O 3.45Å; S663-S676 PolarHBondContact OG-O 3.5Å; R665-S676 WeakPolarHBondContact CA-OG 3.3Å; D674-S676 PolarHBondContact O-N 2.79Å; D674-S676 WeakPolarHBondContact OD1-CB 3.47Å; D674-S676 PolarHBondContact OD1-N 2.83Å; D674-S676 PolarHBondContact OD1-OG 2.9Å; D674-S676 PolarHBondContact OD2-OG 3.2Å | ||
| 677 | R | 45.7 | Very low | 63.5 | Low | 99 Ų | 99 | 79.8 Ų | 79.8 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -63.4 | 156.6 | 163.1 | -71.7 | -162.4 | 172 | 166 | -10.3 | 109.5 | R675 Q679 W680 | R675-R677 PolarHBondContact O-N 2.87Å; R677-Q679 PolarHBondContact O-N 3.18Å; R677-W680 HydrophobicContact CB-CB 3.76Å; R677-W680 HydrophobicContact CG-CB 3.86Å; R677-W680 HydrophobicContact CG-CG 4.37Å |
| 678 | R | 47.8 | Very low | 65.5 | Low | 192 Ų | 192 | 75.2 Ų | 75.2 | 73% | 0.725 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -48.2 | -33.2 | 169.6 | -68.6 | 179.4 | -169.4 | 173.9 | 3.5 | 112.3 | A656 | A656-R678 HydrophobicContact CB-CB 4.38Š|
| 679 | Q | 51.2 | Low | 67.3 | Low | 103 Ų | 103 | 70.8 Ų | 70.8 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -165.5 | 125.4 | 151.5 | -98.7 | 163.3 | 11.8 | 0 | 0 | 106.1 | R677 | R677-Q679 PolarHBondContact O-N 3.18Š|
| 680 | W | 57.1 | Low | 68.9 | Low | 96 Ų | 96 | 71.6 Ų | 71.6 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | trans | -100.2 | 116 | 177.8 | 178.7 | 84.2 | 0 | 0 | 0 | 108.6 | R677 P682 | R677-W680 HydrophobicContact CB-CB 3.76Å; R677-W680 HydrophobicContact CG-CB 3.86Å; R677-W680 HydrophobicContact CG-CG 4.37Å; W680-P682 HydrophobicContact CE3-CB 4.28Å; W680-P682 HydrophobicContact CE3-CG 4.09Å; W680-P682 HydrophobicContact CH2-CB 3.61Å; W680-P682 HydrophobicContact CH2-CG 4.22Å; W680-P682 HydrophobicContact CZ2-CB 4.36Å; W680-P682 HydrophobicContact CZ3-CB 3.56Å; W680-P682 HydrophobicContact CZ3-CG 3.63Å | ||
| 681 | R | 70.5 | Confident | 70.5 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -84 | 124.5 | 166.1 | -67.2 | -172.3 | -172.3 | 136.5 | 19.8 | 108.7 | E575 S632 A634 E652 | E575-R681 IonicContact OE1-NH1 2.72Å; E575-R681 PolarHBondContact OE1-NH1 2.83Å; S632-R681 WeakPolarHBondContact O-CD 3.16Å; A634-R681 HydrophobicContact CB-CB 4.18Å; E652-R681 IonicContact OE1-CZ 3.65Å; E652-R681 IonicContact OE1-NH2 2.92Å; E652-R681 PolarHBondContact OE1-NH2 2.97Å |
| 682 | P | 77.1 | Confident | 72.2 | Confident | 33 Ų | 33 | 59 Ų | 59 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 138.6 | 172.5 | -5.3 | 15.4 | 0 | 0 | 0 | 110 | L633 A634 W680 | L633-P682 HydrophobicContact CD2-CB 4.04Å; L633-P682 HydrophobicContact CD2-CG 3.68Å; A634-P682 PolarHBondContact N-O 2.79Å; W680-P682 HydrophobicContact CE3-CB 4.28Å; W680-P682 HydrophobicContact CE3-CG 4.09Å; W680-P682 HydrophobicContact CH2-CB 3.61Å; W680-P682 HydrophobicContact CH2-CG 4.22Å; W680-P682 HydrophobicContact CZ2-CB 4.36Å; W680-P682 HydrophobicContact CZ3-CB 3.56Å; W680-P682 HydrophobicContact CZ3-CG 3.63Å |
| 683 | E | 82.1 | Confident | 73.7 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -77.7 | 132.7 | 171 | -67.3 | -179.6 | 175.2 | 0 | 0 | 109.9 | A634 R685 T703 | A634-E683 HydrophobicContact CB-CG 4.01Å; E683-R685 PolarHBondContact O-N 2.86Å; E683-T703 WeakPolarHBondContact O-CG2 3.3Å |
| 684 | V | 89.5 | Confident | 75 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 125.8 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | K609 T628 L633 A634 V636 | K609-V684 HydrophobicContact CB-CG1 3.82Å; T628-V684 HydrophobicContact CG2-CG1 3.92Å; T628-V684 HydrophobicContact CG2-CG2 3.79Å; L633-V684 HydrophobicContact CB-CG2 3.43Å; L633-V684 VanDerWaalsContact CB-CG2 3.43Å; L633-V684 HydrophobicContact CD1-CG2 3.63Å; L633-V684 HydrophobicContact CG-CG2 4.16Å; A634-V684 PolarHBondContact O-N 2.88Å; V636-V684 HydrophobicContact CG2-CB 4.33Å; V636-V684 HydrophobicContact CG2-CG2 3.39Å |
| 685 | R | 90.5 | Very high | 76.4 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 15% | 0.151 | 23% | 0.226 | C | C | . | . | trans | -152.1 | 159.3 | 174.1 | 61 | -165.7 | -65.8 | -133.5 | -2.2 | 111.6 | E340 Q591 G606 D607 E683 T702 T703 | E340-R685 WeakPolarHBondContact OE1-CD 3.32Å; E340-R685 IonicContact OE1-CZ 2.76Å; E340-R685 VanDerWaalsContact OE1-CZ 3.25Å; E340-R685 IonicContact OE1-NE 3.17Å; E340-R685 PolarHBondContact OE1-NE 2.92Å; E340-R685 IonicContact OE1-NH1 3.86Å; E340-R685 PolarHBondContact OE1-NH1 2.9Å; E340-R685 IonicContact OE2-NH1 3.78Å; E340-R685 PolarHBondContact OE2-NH1 3.06Å; Q591-R685 VanDerWaalsContact NE2-NH2 3.19Å; G606-R685 WeakPolarHBondContact O-CA 3.48Å; D607-R685 IonicContact OD1-CZ 3.4Å; D607-R685 IonicContact OD1-NE 3.41Å; D607-R685 PolarHBondContact OD1-NE 2.91Å; D607-R685 IonicContact OD1-NH2 3.13Å; E683-R685 PolarHBondContact O-N 2.86Å; R685-T702 WeakPolarHBondContact O-CA 3.45Å; R685-T703 HydrophobicContact CG-CG2 3.81Å; R685-T703 PolarHBondContact O-N 2.77Å | ||
| 686 | V | 94.7 | Very high | 77.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 105.2 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | G606 I611 V627 V689 V701 T702 | G606-V686 WeakPolarHBondContact CA-O 3.32Å; G606-V686 PolarHBondContact N-O 3.3Å; G606-V686 PolarHBondContact O-N 2.75Å; I611-V686 HydrophobicContact CD1-CG2 4.43Å; I611-V686 HydrophobicContact CG1-CG1 4.42Å; I611-V686 HydrophobicContact CG1-CG2 3.9Å; V627-V686 HydrophobicContact CG2-CG2 3.8Å; V686-V689 HydrophobicContact CG1-CG1 3.43Å; V686-V689 VanDerWaalsContact CG1-CG1 3.43Å; V686-V701 CarbonylContact C-O 3.57Å; V686-V701 WeakPolarHBondContact CA-O 3.33Å; V686-T702 HydrophobicContact CG2-CG2 4.21Å |
| 687 | S | 93.9 | Very high | 79.6 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -35.6 | -174.5 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | E340 M341 V701 | E340-S687 PolarHBondContact OE1-OG 2.84Å; M341-S687 VanDerWaalsContact O-CB 3.23Å; M341-S687 WeakPolarHBondContact O-CB 3.46Å; M341-S687 PolarHBondContact O-OG 2.85Å; S687-V701 PolarHBondContact N-O 2.79Å |
| 688 | A | 95.7 | Very high | 81.9 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L344 T700 V701 | L344-A688 HydrophobicContact CB-CB 3.83Å; A688-T700 CarbonylContact O-C 3.48Å; A688-T700 WeakPolarHBondContact O-CA 3.39Å; A688-V701 HydrophobicContact CB-CB 4.25Å; A688-V701 PolarHBondContact O-N 2.73Å |
| 689 | V | 95.8 | Very high | 84.1 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.4 | 173.4 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | T592 A594 I603 V686 T700 | T592-V689 HydrophobicContact CG2-CB 4.35Å; T592-V689 HydrophobicContact CG2-CG1 3.97Å; T592-V689 HydrophobicContact CG2-CG2 3.86Å; T592-V689 PolarHBondContact OG1-N 3.41Å; A594-V689 HydrophobicContact CB-CG2 4.32Å; I603-V689 HydrophobicContact CG2-CB 4.15Å; I603-V689 HydrophobicContact CG2-CG2 3.81Å; V686-V689 HydrophobicContact CG1-CG1 3.43Å; V686-V689 VanDerWaalsContact CG1-CG1 3.43Å; V689-T700 HydrophobicContact CB-CG2 4.15Å; V689-T700 HydrophobicContact CG1-CG2 3.57Å |
| 690 | E | 94.7 | Very high | 86.2 | Confident | 53 Ų | 53 | 25.7 Ų | 25.7 | 25% | 0.248 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 143.1 | 175.5 | -161.8 | -173.9 | 173.8 | 0 | 0 | 111.4 | L344 A345 Y346 F698 A699 | L344-E690 HydrophobicContact CD2-CB 3.48Å; L344-E690 VanDerWaalsContact CD2-CB 3.48Å; L344-E690 WeakPolarHBondContact CD2-OE2 3.3Å; A345-E690 WeakPolarHBondContact CA-OE2 3.44Å; Y346-E690 HydrophobicContact CD2-CB 4.02Å; Y346-E690 HydrophobicContact CD2-CG 4.06Å; Y346-E690 HydrophobicContact CE2-CB 4.42Å; Y346-E690 VanDerWaalsContact N-CD 3.31Å; Y346-E690 PolarHBondContact N-OE1 2.86Å; Y346-E690 PolarHBondContact N-OE2 2.67Å; E690-F698 CarbonylContact O-C 3.59Å; E690-F698 VanDerWaalsContact O-CA 3.3Å; E690-F698 WeakPolarHBondContact O-CA 3.25Å; E690-F698 WeakPolarHBondContact O-CB 2.97Å; E690-A699 PolarHBondContact N-O 2.91Å; E690-A699 PolarHBondContact O-N 2.84Å |
| 691 | F | 92.4 | Very high | 88 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 4% | 0.044 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.3 | 169.8 | -78.4 | -85 | 0 | 0 | 0 | 111.1 | M1 F5 A594 Y595 I603 L613 F698 | M1-F691 HydrophobicContact CE-CD1 4.25Å; M1-F691 HydrophobicContact CE-CE1 4.31Å; F5-F691 HydrophobicContact CE2-CE1 4.24Å; F5-F691 AromaticContact CZ-CE1 3.96Å; F5-F691 HydrophobicContact CZ-CE1 3.96Å; A594-F691 HydrophobicContact CB-CD2 4.45Å; Y595-F691 WeakPolarHBondContact O-CD2 3.5Å; I603-F691 HydrophobicContact CB-CE2 3.59Å; I603-F691 HydrophobicContact CB-CZ 3.9Å; I603-F691 HydrophobicContact CG2-CD2 3.83Å; I603-F691 HydrophobicContact CG2-CE2 3.35Å; I603-F691 HydrophobicContact CG2-CZ 4.09Å; L613-F691 HydrophobicContact CD1-CZ 3.89Å; F691-F698 HydrophobicContact CD1-CB 3.79Å; F691-F698 HydrophobicContact CE1-CB 4.13Å; F691-F698 HydrophobicContact CE1-CD1 4.23Å; F691-F698 HydrophobicContact CG-CB 4.22Å |
| 692 | S | 88.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | trans | -62 | 136.5 | 166.4 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | V597 T694 G695 S697 | V597-S692 VanDerWaalsContact CG2-O 3.23Å; V597-S692 WeakPolarHBondContact CG2-O 3.36Å; S692-T694 PolarHBondContact O-N 3.39Å; S692-T694 PolarHBondContact OG-N 2.79Å; S692-T694 PolarHBondContact OG-OG1 3.41Å; S692-G695 PolarHBondContact O-N 2.84Å; S692-S697 WeakPolarHBondContact CB-O 3.21Å; S692-S697 VanDerWaalsContact CB-OG 3.3Å; S692-S697 WeakPolarHBondContact CB-OG 3.36Å; S692-S697 PolarHBondContact N-O 2.8Å | ||
| 693 | P | 84.3 | Confident | 89.7 | Confident | 34 Ų | 34 | 17.7 Ų | 17.7 | 22% | 0.221 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.3 | 172.1 | -28 | 36.8 | 0 | 0 | 0 | 113.9 | S347 | S347-P693 WeakPolarHBondContact O-CG 3.04Š|
| 694 | T | 77.5 | Confident | 90 | Very high | 16 Ų | 16 | 14 Ų | 14 | 10% | 0.098 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.2 | 176.2 | 75.1 | 0 | 0 | 0 | 0 | 114 | S692 D696 A886 R890 | S692-T694 PolarHBondContact O-N 3.39Å; S692-T694 PolarHBondContact OG-N 2.79Å; S692-T694 PolarHBondContact OG-OG1 3.41Å; T694-D696 PolarHBondContact O-N 2.75Å; T694-A886 VanDerWaalsContact C-CB 3.45Å; T694-A886 VanDerWaalsContact O-CB 3.27Å; T694-A886 WeakPolarHBondContact O-CB 3.14Å; T694-R890 HydrophobicContact CG2-CB 4.18Å; T694-R890 PolarHBondContact O-NH2 2.86Å; T694-R890 PolarHBondContact OG1-NH2 3.24Å |
| 695 | G | 77.6 | Confident | 90 | Very high | 9 Ų | 9 | 13.6 Ų | 13.6 | 9% | 0.093 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 70.7 | 5.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | M1 S692 | M1-G695 WeakPolarHBondContact CE-O 3.47Å; S692-G695 PolarHBondContact O-N 2.84Å |
| 696 | D | 77.4 | Confident | 90.2 | Very high | 25 Ų | 25 | 11.7 Ų | 11.7 | 13% | 0.134 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -97.2 | -11.8 | 179 | -78.3 | 33.4 | 0 | 0 | 0 | 113.4 | T694 S710 L711 A714 R809 R890 | T694-D696 PolarHBondContact O-N 2.75Å; D696-S710 CarbonylContact O-C 3.56Å; D696-S710 VanDerWaalsContact O-CA 3.25Å; D696-S710 WeakPolarHBondContact O-CA 3.32Å; D696-S710 WeakPolarHBondContact O-CB 3.16Å; D696-L711 PolarHBondContact O-N 3Å; D696-A714 HydrophobicContact CB-CB 3.78Å; D696-A714 WeakPolarHBondContact OD2-CA 3.4Å; D696-A714 WeakPolarHBondContact OD2-CB 3.31Å; D696-R809 IonicContact OD2-CZ 3.21Å; D696-R809 IonicContact OD2-NE 2.76Å; D696-R809 IonicContact OD2-NH2 3.71Å; D696-R809 PolarHBondContact OD2-NH2 3.32Å; D696-R890 IonicContact OD1-CZ 2.84Å; D696-R890 IonicContact OD1-NH1 3.76Å; D696-R890 PolarHBondContact OD1-NH1 2.87Å; D696-R890 IonicContact OD1-NH2 2.87Å; D696-R890 PolarHBondContact OD1-NH2 3.43Å; D696-R890 IonicContact OD2-CZ 3.67Å; D696-R890 IonicContact OD2-NH1 2.79Å; D696-R890 PolarHBondContact OD2-NH1 3.35Å; D696-R890 IonicContact OD2-NH2 3.02Å; D696-R890 PolarHBondContact OD2-NH2 3.39Å; D696-R890 VanDerWaalsContact OD2-NH2 3.13Å |
| 697 | S | 87.4 | Confident | 90.1 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 9% | 0.091 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.3 | -177.1 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | S692 Y709 | S692-S697 WeakPolarHBondContact CB-O 3.21Å; S692-S697 VanDerWaalsContact CB-OG 3.3Å; S692-S697 WeakPolarHBondContact CB-OG 3.36Å; S692-S697 PolarHBondContact N-O 2.8Å; S697-Y709 CarbonylContact C-O 3.59Å; S697-Y709 WeakPolarHBondContact CA-O 3.5Å; S697-Y709 WeakPolarHBondContact CB-O 3.21Å |
| 698 | F | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.7 | 163 | 66.6 | -96.6 | 0 | 0 | 0 | 109 | F5 I603 F625 E690 F691 T700 Y709 | F5-F698 HydrophobicContact CB-CD1 4.37Å; F5-F698 HydrophobicContact CB-CE1 3.63Å; F5-F698 HydrophobicContact CB-CZ 4.48Å; F5-F698 AromaticContact CD1-CD1 3.74Å; F5-F698 HydrophobicContact CD1-CD1 3.74Å; F5-F698 AromaticContact CD1-CE1 3.88Å; F5-F698 HydrophobicContact CD1-CE1 3.88Å; F5-F698 HydrophobicContact CD2-CD1 4.06Å; F5-F698 AromaticContact CD2-CE1 3.74Å; F5-F698 HydrophobicContact CD2-CE1 3.74Å; F5-F698 AromaticContact CE1-CD1 3.94Å; F5-F698 HydrophobicContact CE1-CD1 3.94Å; F5-F698 HydrophobicContact CE1-CE1 4.46Å; F5-F698 HydrophobicContact CE2-CD1 4.23Å; F5-F698 HydrophobicContact CE2-CE1 4.33Å; F5-F698 AromaticContact CG-CD1 3.8Å; F5-F698 HydrophobicContact CG-CD1 3.8Å; F5-F698 AromaticContact CG-CE1 3.48Å; F5-F698 HydrophobicContact CG-CE1 3.48Å; F5-F698 VanDerWaalsContact CG-CE1 3.48Å; F5-F698 HydrophobicContact CZ-CD1 4.16Å; I603-F698 HydrophobicContact CD1-CB 4.48Å; I603-F698 HydrophobicContact CD1-CD1 4.09Å; I603-F698 HydrophobicContact CD1-CD2 3.43Å; I603-F698 VanDerWaalsContact CD1-CD2 3.43Å; I603-F698 HydrophobicContact CD1-CE1 4.09Å; I603-F698 HydrophobicContact CD1-CE2 3.45Å; I603-F698 VanDerWaalsContact CD1-CE2 3.45Å; I603-F698 HydrophobicContact CD1-CG 3.76Å; I603-F698 HydrophobicContact CD1-CZ 3.79Å; F625-F698 HydrophobicContact CD1-CZ 4.43Å; F625-F698 HydrophobicContact CD2-CZ 4.13Å; F625-F698 HydrophobicContact CE1-CE1 4.47Å; F625-F698 HydrophobicContact CE1-CZ 4.25Å; F625-F698 HydrophobicContact CE2-CE1 4.23Å; F625-F698 AromaticContact CE2-CZ 3.96Å; F625-F698 HydrophobicContact CE2-CZ 3.96Å; F625-F698 HydrophobicContact CG-CZ 4.37Å; F625-F698 HydrophobicContact CZ-CE1 4.03Å; F625-F698 HydrophobicContact CZ-CZ 4.02Å; E690-F698 CarbonylContact O-C 3.59Å; E690-F698 VanDerWaalsContact O-CA 3.3Å; E690-F698 WeakPolarHBondContact O-CA 3.25Å; E690-F698 WeakPolarHBondContact O-CB 2.97Å; F691-F698 HydrophobicContact CD1-CB 3.79Å; F691-F698 HydrophobicContact CE1-CB 4.13Å; F691-F698 HydrophobicContact CE1-CD1 4.23Å; F691-F698 HydrophobicContact CG-CB 4.22Å; F698-T700 HydrophobicContact CD2-CG2 3.84Å; F698-T700 HydrophobicContact CE2-CG2 3.89Å; F698-Y709 HydrophobicContact CD2-CD2 4.05Å; F698-Y709 HydrophobicContact CE1-CG 4.11Å; F698-Y709 AromaticContact CE2-CD2 3.25Å; F698-Y709 HydrophobicContact CE2-CD2 3.25Å; F698-Y709 AromaticContact CE2-CE2 4Å; F698-Y709 HydrophobicContact CE2-CE2 4Å; F698-Y709 AromaticContact CE2-CG 3.68Å; F698-Y709 HydrophobicContact CE2-CG 3.68Å; F698-Y709 HydrophobicContact CZ-CD1 4.2Å; F698-Y709 AromaticContact CZ-CD2 3.54Å; F698-Y709 HydrophobicContact CZ-CD2 3.54Å; F698-Y709 HydrophobicContact CZ-CE2 4.34Å; F698-Y709 AromaticContact CZ-CG 3.45Å; F698-Y709 HydrophobicContact CZ-CG 3.45Å; F698-Y709 VanDerWaalsContact CZ-CG 3.45Å; F698-Y709 PolarHBondContact N-O 3.16Å; F698-Y709 PolarHBondContact O-N 2.95Å |
| 699 | A | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L344 Y346 L353 E690 I706 L707 V708 | L344-A699 HydrophobicContact CD1-CB 3.86Å; L344-A699 HydrophobicContact CD2-CB 4.26Å; Y346-A699 HydrophobicContact CE2-CB 3.61Å; Y346-A699 VanDerWaalsContact OH-CB 3.27Å; Y346-A699 WeakPolarHBondContact OH-CB 3.3Å; Y346-A699 PolarHBondContact OH-N 2.86Å; L353-A699 HydrophobicContact CD1-CB 3.52Å; E690-A699 PolarHBondContact N-O 2.91Å; E690-A699 PolarHBondContact O-N 2.84Å; A699-I706 HydrophobicContact CB-CG2 4.24Å; A699-L707 CarbonylContact C-O 3.59Å; A699-L707 VanDerWaalsContact CA-O 3.29Å; A699-L707 WeakPolarHBondContact CA-O 3.37Å; A699-V708 HydrophobicContact CB-CG2 4.03Å |
| 700 | T | 95.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.5 | 178.2 | 63.4 | 0 | 0 | 0 | 0 | 110 | I611 A688 V689 F698 I706 L707 | I611-T700 HydrophobicContact CD1-CG2 3.59Å; I611-T700 HydrophobicContact CG1-CG2 4.41Å; A688-T700 CarbonylContact O-C 3.48Å; A688-T700 WeakPolarHBondContact O-CA 3.39Å; V689-T700 HydrophobicContact CB-CG2 4.15Å; V689-T700 HydrophobicContact CG1-CG2 3.57Å; F698-T700 HydrophobicContact CD2-CG2 3.84Å; F698-T700 HydrophobicContact CE2-CG2 3.89Å; T700-I706 WeakPolarHBondContact O-CA 3.4Å; T700-L707 PolarHBondContact N-O 3.31Å; T700-L707 PolarHBondContact O-N 2.83Å |
| 701 | V | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123 | 167.9 | 163.1 | 0 | 0 | 0 | 0 | 108.6 | M341 L344 T355 V686 S687 A688 I706 | M341-V701 HydrophobicContact CB-CB 4.49Å; M341-V701 HydrophobicContact CB-CG1 3.31Å; M341-V701 HydrophobicContact CB-CG2 4.34Å; M341-V701 HydrophobicContact CE-CG1 4.14Å; M341-V701 HydrophobicContact CG-CG1 4.48Å; M341-V701 WeakPolarHBondContact O-CG1 3.25Å; M341-V701 HydrophobicContact SD-CG2 4.47Å; L344-V701 HydrophobicContact CB-CG2 3.75Å; L344-V701 HydrophobicContact CD1-CG2 3.62Å; L344-V701 HydrophobicContact CG-CG2 4.31Å; T355-V701 HydrophobicContact CG2-CG2 4.09Å; V686-V701 CarbonylContact C-O 3.57Å; V686-V701 WeakPolarHBondContact CA-O 3.33Å; S687-V701 PolarHBondContact N-O 2.79Å; A688-V701 HydrophobicContact CB-CB 4.25Å; A688-V701 PolarHBondContact O-N 2.73Å; V701-I706 HydrophobicContact CG2-CG1 4.37Å |
| 702 | T | 93.8 | Very high | 87 | Confident | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 174.5 | 178.9 | 70.9 | 0 | 0 | 0 | 0 | 109.9 | V627 R685 V686 E704 G705 L707 | V627-T702 HydrophobicContact CG1-CG2 3.65Å; V627-T702 HydrophobicContact CG2-CG2 4.25Å; R685-T702 WeakPolarHBondContact O-CA 3.45Å; V686-T702 HydrophobicContact CG2-CG2 4.21Å; T702-E704 PolarHBondContact O-N 2.62Å; T702-E704 PolarHBondContact OG1-N 2.89Å; T702-G705 PolarHBondContact N-O 2.77Å; T702-G705 PolarHBondContact O-N 3.33Å; T702-G705 PolarHBondContact OG1-N 2.81Å; T702-G705 PolarHBondContact OG1-O 3.33Å; T702-L707 HydrophobicContact CG2-CD1 3.91Å; T702-L707 HydrophobicContact CG2-CG 4.33Å |
| 703 | T | 89.4 | Confident | 85.4 | Confident | 36 Ų | 36 | 12.7 Ų | 12.7 | 22% | 0.221 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -63.5 | -28.5 | 174.4 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | E683 R685 | E683-T703 WeakPolarHBondContact O-CG2 3.3Å; R685-T703 HydrophobicContact CG-CG2 3.81Å; R685-T703 PolarHBondContact O-N 2.77Å |
| 704 | E | 87.5 | Confident | 83.8 | Confident | 12 Ų | 12 | 11.2 Ų | 11.2 | 6% | 0.056 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -82.4 | -28.7 | 179 | -67.9 | -170.9 | 140.6 | 0 | 0 | 112.2 | T13 T628 N630 L633 T702 | T13-E704 WeakPolarHBondContact CB-O 3.43Å; T13-E704 WeakPolarHBondContact CG2-O 3.24Å; T13-E704 PolarHBondContact OG1-O 3.01Å; T628-E704 WeakPolarHBondContact CB-OE2 3.31Å; T628-E704 VanDerWaalsContact OG1-CD 3.32Å; T628-E704 PolarHBondContact OG1-OE1 3.02Å; T628-E704 PolarHBondContact OG1-OE2 2.75Å; N630-E704 WeakPolarHBondContact CB-OE1 3.36Å; N630-E704 PolarHBondContact ND2-OE1 3.14Å; L633-E704 HydrophobicContact CD1-CG 3.52Å; L633-E704 WeakPolarHBondContact CD1-OE1 3.21Å; T702-E704 PolarHBondContact O-N 2.62Å; T702-E704 PolarHBondContact OG1-N 2.89Å |
| 705 | G | 91.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | 157 | -161.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M341 T702 | M341-G705 VanDerWaalsContact CE-C 3.42Å; M341-G705 VanDerWaalsContact CE-CA 3.46Å; T702-G705 PolarHBondContact N-O 2.77Å; T702-G705 PolarHBondContact O-N 3.33Å; T702-G705 PolarHBondContact OG1-N 2.81Å; T702-G705 PolarHBondContact OG1-O 3.33Å | ||
| 706 | I | 93.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 108.2 | 175.4 | -53.6 | 163.2 | 0 | 0 | 0 | 107.1 | L10 F11 M341 L344 L353 T355 W365 A699 T700 V701 V708 | L10-I706 WeakPolarHBondContact CA-O 3.4Å; F11-I706 HydrophobicContact CD2-CB 4.11Å; F11-I706 HydrophobicContact CD2-CD1 3.81Å; F11-I706 HydrophobicContact CD2-CG2 4.4Å; F11-I706 HydrophobicContact CE2-CB 4.07Å; F11-I706 HydrophobicContact CE2-CD1 3.78Å; F11-I706 HydrophobicContact CE2-CG2 3.86Å; F11-I706 HydrophobicContact CZ-CG2 4.09Å; F11-I706 PolarHBondContact N-O 3.46Å; F11-I706 WeakPolarHBondContact O-CA 3.33Å; F11-I706 WeakPolarHBondContact O-CB 3.41Å; F11-I706 PolarHBondContact O-N 3.39Å; M341-I706 HydrophobicContact CE-CG1 3.99Å; M341-I706 HydrophobicContact SD-CD1 4.29Å; M341-I706 HydrophobicContact SD-CG1 3.86Å; L344-I706 HydrophobicContact CD1-CG2 4Å; L353-I706 HydrophobicContact CD1-CG2 4.23Å; L353-I706 HydrophobicContact CD2-CD1 4.07Å; L353-I706 HydrophobicContact CD2-CG2 4.33Å; T355-I706 HydrophobicContact CG2-CD1 3.36Å; T355-I706 HydrophobicContact CG2-CG1 3.91Å; W365-I706 HydrophobicContact CD2-CD1 4.29Å; W365-I706 HydrophobicContact CG-CD1 4.21Å; A699-I706 HydrophobicContact CB-CG2 4.24Å; T700-I706 WeakPolarHBondContact O-CA 3.4Å; V701-I706 HydrophobicContact CG2-CG1 4.37Å; I706-V708 HydrophobicContact CG2-CG2 4.36Å |
| 707 | L | 92.5 | Very high | 78.6 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.1 | 172.8 | -63.1 | 173.2 | 0 | 0 | 0 | 109.1 | F7 L10 V627 A699 T700 T702 Y709 | F7-L707 HydrophobicContact CD2-CD2 4.12Å; F7-L707 HydrophobicContact CE2-CD2 3.49Å; F7-L707 VanDerWaalsContact CE2-CD2 3.49Å; F7-L707 HydrophobicContact CZ-CD2 4.34Å; L10-L707 HydrophobicContact CB-CD2 4.11Å; L10-L707 HydrophobicContact CD1-CD2 3.58Å; L10-L707 HydrophobicContact CD1-CG 4.26Å; L10-L707 HydrophobicContact CG-CD2 4.33Å; V627-L707 HydrophobicContact CB-CD1 4.25Å; V627-L707 HydrophobicContact CG1-CD1 3.67Å; V627-L707 HydrophobicContact CG2-CD1 4.46Å; A699-L707 CarbonylContact C-O 3.59Å; A699-L707 VanDerWaalsContact CA-O 3.29Å; A699-L707 WeakPolarHBondContact CA-O 3.37Å; T700-L707 PolarHBondContact N-O 3.31Å; T700-L707 PolarHBondContact O-N 2.83Å; T702-L707 HydrophobicContact CG2-CD1 3.91Å; T702-L707 HydrophobicContact CG2-CG 4.33Å; L707-Y709 HydrophobicContact CB-CD2 4.43Å; L707-Y709 HydrophobicContact CB-CE2 3.84Å; L707-Y709 HydrophobicContact CD1-CE2 4.33Å |
| 708 | V | 91.2 | Very high | 76.5 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.8 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | K8 N9 F11 A699 I706 | K8-V708 PolarHBondContact N-O 2.81Å; N9-V708 PolarHBondContact N-O 2.73Å; N9-V708 PolarHBondContact O-N 3.45Å; F11-V708 HydrophobicContact CD1-CG2 4.33Å; F11-V708 HydrophobicContact CE1-CB 4.35Å; F11-V708 HydrophobicContact CE1-CG2 3.33Å; F11-V708 HydrophobicContact CZ-CG2 3.57Å; A699-V708 HydrophobicContact CB-CG2 4.03Å; I706-V708 HydrophobicContact CG2-CG2 4.36Å |
| 709 | Y | 89.5 | Confident | 74.3 | Confident | 13 Ų | 13 | 18 Ų | 18 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.4 | 173.2 | -66.1 | -96.2 | 0 | 0 | 0 | 108.8 | K6 F7 I611 F625 S697 F698 L707 | K6-Y709 CarbonylContact O-C 3.56Å; K6-Y709 VanDerWaalsContact O-CA 3.25Å; K6-Y709 WeakPolarHBondContact O-CA 3.16Å; F7-Y709 HydrophobicContact CB-CD1 4.17Å; F7-Y709 HydrophobicContact CB-CE1 3.97Å; I611-Y709 HydrophobicContact CD1-CE2 4.32Å; F625-Y709 HydrophobicContact CD1-CD1 4.16Å; F625-Y709 HydrophobicContact CD1-CE1 4.1Å; S697-Y709 CarbonylContact C-O 3.59Å; S697-Y709 WeakPolarHBondContact CA-O 3.5Å; S697-Y709 WeakPolarHBondContact CB-O 3.21Å; F698-Y709 HydrophobicContact CD2-CD2 4.05Å; F698-Y709 HydrophobicContact CE1-CG 4.11Å; F698-Y709 AromaticContact CE2-CD2 3.25Å; F698-Y709 HydrophobicContact CE2-CD2 3.25Å; F698-Y709 AromaticContact CE2-CE2 4Å; F698-Y709 HydrophobicContact CE2-CE2 4Å; F698-Y709 AromaticContact CE2-CG 3.68Å; F698-Y709 HydrophobicContact CE2-CG 3.68Å; F698-Y709 HydrophobicContact CZ-CD1 4.2Å; F698-Y709 AromaticContact CZ-CD2 3.54Å; F698-Y709 HydrophobicContact CZ-CD2 3.54Å; F698-Y709 HydrophobicContact CZ-CE2 4.34Å; F698-Y709 AromaticContact CZ-CG 3.45Å; F698-Y709 HydrophobicContact CZ-CG 3.45Å; F698-Y709 VanDerWaalsContact CZ-CG 3.45Å; F698-Y709 PolarHBondContact N-O 3.16Å; F698-Y709 PolarHBondContact O-N 2.95Å; L707-Y709 HydrophobicContact CB-CD2 4.43Å; L707-Y709 HydrophobicContact CB-CE2 3.84Å; L707-Y709 HydrophobicContact CD1-CE2 4.33Å |
| 710 | S | 84.6 | Confident | 72.2 | Confident | 9 Ų | 9 | 18.8 Ų | 18.8 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 162 | 177 | 76 | 0 | 0 | 0 | 0 | 112.7 | K6 K8 D696 | K6-S710 PolarHBondContact N-O 3.44Å; K6-S710 PolarHBondContact O-N 2.94Å; K8-S710 WeakPolarHBondContact CD-OG 3.36Å; K8-S710 PolarHBondContact NZ-OG 3.15Å; D696-S710 CarbonylContact O-C 3.56Å; D696-S710 VanDerWaalsContact O-CA 3.25Å; D696-S710 WeakPolarHBondContact O-CA 3.32Å; D696-S710 WeakPolarHBondContact O-CB 3.16Å |
| 711 | L | 78.9 | Confident | 70 | Confident | 11 Ų | 11 | 18.9 Ų | 18.9 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | trans | -70.8 | 137.2 | 170.5 | -63.3 | 172.2 | 0 | 0 | 0 | 110.5 | R2 F5 D696 S713 A714 | R2-L711 HydrophobicContact CB-CD1 3.77Å; R2-L711 HydrophobicContact CB-CD2 3.97Å; R2-L711 WeakPolarHBondContact O-CD2 3.48Å; F5-L711 HydrophobicContact CD1-CD2 4.01Å; F5-L711 HydrophobicContact CD1-CG 4.03Å; F5-L711 HydrophobicContact CE1-CD2 4.11Å; F5-L711 HydrophobicContact CE1-CG 3.9Å; F5-L711 HydrophobicContact CG-CD2 4.22Å; F5-L711 HydrophobicContact CZ-CD2 4.43Å; F5-L711 HydrophobicContact CZ-CG 4.5Å; D696-L711 PolarHBondContact O-N 3Å; L711-S713 VanDerWaalsContact C-N 3.25Å; L711-S713 PolarHBondContact O-N 3.44Å; L711-A714 WeakPolarHBondContact O-CB 3.31Å; L711-A714 PolarHBondContact O-N 3.24Å | ||
| 712 | P | 64.6 | Low | 67.7 | Low | 37 Ų | 37 | 20.8 Ų | 20.8 | 24% | 0.24 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -57 | -38.4 | 175.8 | -26.3 | 33.3 | 0 | 0 | 0 | 113 | N4 K6 A714 G715 G733 | N4-P712 WeakPolarHBondContact O-CD 3.34Å; K6-P712 HydrophobicContact CG-CG 3.92Å; P712-A714 PolarHBondContact O-N 3.03Å; P712-A714 VanDerWaalsContact O-N 3.11Å; P712-G715 PolarHBondContact O-N 2.89Å; P712-G733 WeakPolarHBondContact CB-O 3.36Å |
| 713 | S | 53.7 | Low | 65.8 | Low | 45 Ų | 45 | 21.5 Ų | 21.5 | 32% | 0.315 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -65.4 | -11.9 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 113.7 | R2 L711 G715 R809 | R2-S713 PolarHBondContact NH1-OG 2.92Å; L711-S713 VanDerWaalsContact C-N 3.25Å; L711-S713 PolarHBondContact O-N 3.44Å; S713-G715 PolarHBondContact O-N 3.42Å; S713-G715 VanDerWaalsContact O-N 3.07Å; S713-R809 PolarHBondContact O-NE 3.42Å; S713-R809 PolarHBondContact O-NH1 2.86Å; S713-R809 PolarHBondContact O-NH2 3.2Å |
| 714 | A | 50.6 | Low | 64.1 | Low | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -62 | -16.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D696 L711 P712 T716 R809 | D696-A714 HydrophobicContact CB-CB 3.78Å; D696-A714 WeakPolarHBondContact OD2-CA 3.4Å; D696-A714 WeakPolarHBondContact OD2-CB 3.31Å; L711-A714 WeakPolarHBondContact O-CB 3.31Å; L711-A714 PolarHBondContact O-N 3.24Å; P712-A714 PolarHBondContact O-N 3.03Å; P712-A714 VanDerWaalsContact O-N 3.11Å; A714-T716 HydrophobicContact CB-CG2 4.33Å; A714-T716 PolarHBondContact O-N 3.48Å; A714-R809 WeakPolarHBondContact O-CD 3.43Å; A714-R809 PolarHBondContact O-NE 3.25Å |
| 715 | G | 46.6 | Very low | 61.8 | Low | 25 Ų | 25 | 24.5 Ų | 24.5 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | trans | 52.3 | 23.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P712 S713 G717 | P712-G715 PolarHBondContact O-N 2.89Å; S713-G715 PolarHBondContact O-N 3.42Å; S713-G715 VanDerWaalsContact O-N 3.07Å; G715-G717 PolarHBondContact O-N 3.37Å | ||
| 716 | T | 39.2 | Very low | 59.2 | Low | 56 Ų | 56 | 25.8 Ų | 25.8 | 34% | 0.344 | 18% | 0.182 | S | C | . | . | trans | -65.3 | 120.2 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 104.2 | K8 A714 Y718 | K8-T716 WeakPolarHBondContact CE-OG1 3.28Å; K8-T716 PolarHBondContact NZ-OG1 3.37Å; A714-T716 HydrophobicContact CB-CG2 4.33Å; A714-T716 PolarHBondContact O-N 3.48Å; T716-Y718 PolarHBondContact O-N 3.25Å | ||
| 717 | G | 39.1 | Very low | 56.4 | Low | 41 Ų | 41 | 29.6 Ų | 29.6 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -66.3 | 33.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G715 | G715-G717 PolarHBondContact O-N 3.37Š|
| 718 | Y | 42 | Very low | 53.9 | Low | 71 Ų | 71 | 33.6 Ų | 33.6 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | trans | -114.1 | 94.3 | -175.1 | -52 | -61.3 | 0 | 0 | 0 | 108.2 | E46 S368 T716 | E46-Y718 WeakPolarHBondContact OE1-CE1 3.47Å; E46-Y718 VanDerWaalsContact OE2-CD1 3.32Å; E46-Y718 WeakPolarHBondContact OE2-CD1 3.3Å; S368-Y718 VanDerWaalsContact O-CD2 3.3Å; S368-Y718 WeakPolarHBondContact O-CD2 3.33Å; S368-Y718 WeakPolarHBondContact O-CE2 3.46Å; T716-Y718 PolarHBondContact O-N 3.25Å | ||
| 719 | G | 46.9 | Very low | 51.3 | Low | 11 Ų | 11 | 35.4 Ų | 35.4 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | trans | -132.1 | 144.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | G721 S722 D731 | G719-G721 PolarHBondContact O-N 3.03Å; G719-S722 PolarHBondContact O-N 3.18Å; G719-S722 PolarHBondContact O-OG 2.92Å; G719-S722 VanDerWaalsContact O-OG 3.06Å; G719-D731 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 720 | I | 50.4 | Low | 48.8 | Very low | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -49.6 | -27.5 | 168.5 | 49.9 | 169.2 | 0 | 0 | 0 | 112 | A48 I50 S722 I723 F724 | A48-I720 HydrophobicContact CB-CG2 3.97Å; I50-I720 HydrophobicContact CG1-CG2 4.13Å; I720-S722 PolarHBondContact O-N 2.79Å; I720-I723 WeakPolarHBondContact O-CB 3.45Å; I720-I723 PolarHBondContact O-N 3.48Å; I720-F724 HydrophobicContact CB-CD2 4.2Å; I720-F724 HydrophobicContact CB-CE2 4.26Å; I720-F724 VanDerWaalsContact O-CD2 3.23Å; I720-F724 WeakPolarHBondContact O-CD2 3.11Å; I720-F724 PolarHBondContact O-N 3.45Å; I720-F724 VanDerWaalsContact O-N 3.08Å |
| 721 | G | 49.2 | Very low | 46.8 | Very low | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.9 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | G719 I723 F724 G725 A726 | G719-G721 PolarHBondContact O-N 3.03Å; G721-I723 VanDerWaalsContact C-N 3.29Å; G721-I723 PolarHBondContact O-N 3.04Å; G721-F724 PolarHBondContact O-N 2.95Å; G721-G725 CarbonylContact O-C 3.58Å; G721-G725 PolarHBondContact O-N 3.41Å; G721-A726 CarbonylContact C-O 3.59Å; G721-A726 VanDerWaalsContact C-O 3.23Å; G721-A726 WeakPolarHBondContact O-CA 2.98Å; G721-A726 PolarHBondContact O-N 3.29Å |
| 722 | S | 48.8 | Very low | 45.1 | Very low | 40 Ų | 40 | 43.1 Ų | 43.1 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.8 | -23.4 | 179 | 84.3 | 0 | 0 | 0 | 0 | 114.1 | K44 G719 I720 | K44-S722 VanDerWaalsContact NZ-CB 3.35Å; K44-S722 PolarHBondContact NZ-OG 3.05Å; G719-S722 PolarHBondContact O-N 3.18Å; G719-S722 PolarHBondContact O-OG 2.92Å; G719-S722 VanDerWaalsContact O-OG 3.06Å; I720-S722 PolarHBondContact O-N 2.79Å |
| 723 | I | 53.8 | Low | 44.2 | Very low | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -82.1 | -37.6 | 178.9 | -55.8 | 175.9 | 0 | 0 | 0 | 109.9 | V39 D41 A48 I720 G721 | V39-I723 HydrophobicContact CB-CD1 4.35Å; V39-I723 HydrophobicContact CG1-CD1 3.88Å; V39-I723 HydrophobicContact CG1-CG2 4.12Å; D41-I723 HydrophobicContact CB-CD1 4.04Å; D41-I723 HydrophobicContact CB-CG1 4.07Å; D41-I723 HydrophobicContact CB-CG2 4.48Å; A48-I723 HydrophobicContact CB-CD1 4.09Å; I720-I723 WeakPolarHBondContact O-CB 3.45Å; I720-I723 PolarHBondContact O-N 3.48Å; G721-I723 VanDerWaalsContact C-N 3.29Å; G721-I723 PolarHBondContact O-N 3.04Å |
| 724 | F | 52.5 | Low | 43.9 | Very low | 37 Ų | 37 | 49.5 Ų | 49.5 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -100.8 | 10.9 | -176.7 | -59.5 | -70 | 0 | 0 | 0 | 114.3 | T23 L30 V39 L84 I720 G721 | T23-F724 HydrophobicContact CG2-CE1 3.61Å; T23-F724 HydrophobicContact CG2-CZ 4.07Å; L30-F724 HydrophobicContact CD2-CZ 4.35Å; V39-F724 HydrophobicContact CG1-CE2 4.32Å; V39-F724 HydrophobicContact CG1-CZ 4.03Å; L84-F724 HydrophobicContact CB-CD1 4.02Å; L84-F724 HydrophobicContact CB-CD2 4.17Å; L84-F724 HydrophobicContact CB-CE1 4.17Å; L84-F724 HydrophobicContact CB-CE2 4.34Å; L84-F724 HydrophobicContact CB-CG 4.02Å; L84-F724 HydrophobicContact CB-CZ 4.35Å; L84-F724 HydrophobicContact CD1-CE1 4.26Å; L84-F724 HydrophobicContact CD2-CE1 4.11Å; L84-F724 HydrophobicContact CD2-CE2 4.22Å; L84-F724 HydrophobicContact CD2-CZ 3.81Å; L84-F724 HydrophobicContact CG-CE1 4.41Å; L84-F724 WeakPolarHBondContact O-CD2 3.34Å; I720-F724 HydrophobicContact CB-CD2 4.2Å; I720-F724 HydrophobicContact CB-CE2 4.26Å; I720-F724 VanDerWaalsContact O-CD2 3.23Å; I720-F724 WeakPolarHBondContact O-CD2 3.11Å; I720-F724 PolarHBondContact O-N 3.45Å; I720-F724 VanDerWaalsContact O-N 3.08Å; G721-F724 PolarHBondContact O-N 2.95Å |
| 725 | G | 38.8 | Very low | 43.9 | Very low | 73 Ų | 73 | 53.9 Ų | 53.9 | 75% | 0.753 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 14.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G721 | G721-G725 CarbonylContact O-C 3.58Å; G721-G725 PolarHBondContact O-N 3.41Å |
| 726 | A | 37.3 | Very low | 44.4 | Very low | 28 Ų | 28 | 58.8 Ų | 58.8 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | trans | -82.8 | 140.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G721 | G721-A726 CarbonylContact C-O 3.59Å; G721-A726 VanDerWaalsContact C-O 3.23Å; G721-A726 WeakPolarHBondContact O-CA 2.98Å; G721-A726 PolarHBondContact O-N 3.29Å | ||
| 727 | S | 33.7 | Very low | 45.2 | Very low | 79 Ų | 79 | 58.9 Ų | 58.9 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | trans | -56.9 | 143.6 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | S729 S730 | S727-S729 PolarHBondContact O-N 3.11Å; S727-S729 PolarHBondContact OG-OG 3.08Å; S727-S730 PolarHBondContact O-N 3.29Å | ||
| 728 | S | 41.1 | Very low | 46.5 | Very low | 85 Ų | 85 | 58.4 Ų | 58.4 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 2.8 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 729 | S | 35.2 | Very low | 47.6 | Very low | 43 Ų | 43 | 59 Ų | 59 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -24 | -179.6 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | S727 D731 S732 E773 | S727-S729 PolarHBondContact O-N 3.11Å; S727-S729 PolarHBondContact OG-OG 3.08Å; S729-D731 PolarHBondContact O-N 2.65Å; S729-S732 PolarHBondContact O-OG 2.92Å; S729-E773 WeakPolarHBondContact CB-OE1 3.21Å |
| 730 | S | 37.9 | Very low | 48.7 | Very low | 65 Ų | 65 | 61.2 Ų | 61.2 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -19 | -170.3 | 57 | 0 | 0 | 0 | 0 | 115.9 | S727 S732 | S727-S730 PolarHBondContact O-N 3.29Å; S730-S732 PolarHBondContact O-N 3.4Å |
| 731 | D | 43.1 | Very low | 50.1 | Low | 88 Ų | 88 | 64.1 Ų | 64.1 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 6.9 | 177.8 | -85 | -4 | 0 | 0 | 0 | 113.9 | G719 S729 G733 | G719-D731 WeakPolarHBondContact CA-OD2 3.26Å; S729-D731 PolarHBondContact O-N 2.65Å; D731-G733 PolarHBondContact O-N 3.15Å |
| 732 | S | 42.6 | Very low | 51.7 | Low | 42 Ų | 42 | 67.4 Ų | 67.4 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | trans | -74.7 | 77.6 | 167.5 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | S729 S730 W734 | S729-S732 PolarHBondContact O-OG 2.92Å; S730-S732 PolarHBondContact O-N 3.4Å; S732-W734 PolarHBondContact O-N 2.78Å; S732-W734 PolarHBondContact O-NE1 3.38Å; S732-W734 PolarHBondContact OG-NE1 2.74Å | ||
| 733 | G | 45.5 | Very low | 53.5 | Low | 47 Ų | 47 | 74 Ų | 74 | 49% | 0.485 | 44% | 0.44 | S | S | . | . | trans | -59.8 | 88.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P712 D731 L735 | P712-G733 WeakPolarHBondContact CB-O 3.36Å; D731-G733 PolarHBondContact O-N 3.15Å; G733-L735 PolarHBondContact O-N 3.45Å | ||
| 734 | W | 48.3 | Very low | 55 | Low | 169 Ų | 169 | 79 Ų | 79 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | trans | -57.7 | 106.4 | -172 | -61.6 | 92.7 | 0 | 0 | 0 | 109.9 | S732 L771 | S732-W734 PolarHBondContact O-N 2.78Å; S732-W734 PolarHBondContact O-NE1 3.38Å; S732-W734 PolarHBondContact OG-NE1 2.74Å; W734-L771 HydrophobicContact CE3-CD2 3.96Å; W734-L771 HydrophobicContact CZ3-CD2 3.51Å | ||
| 735 | L | 49.7 | Very low | 56.7 | Low | 95 Ų | 95 | 77.5 Ų | 77.5 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | trans | -99 | 106.1 | 153.6 | -167 | 76.4 | 0 | 0 | 0 | 105.1 | N4 G733 D737 | N4-L735 HydrophobicContact CB-CD2 4.33Å; G733-L735 PolarHBondContact O-N 3.45Å; L735-D737 VanDerWaalsContact C-N 3.25Å; L735-D737 HydrophobicContact CD2-CB 4.38Å; L735-D737 HydrophobicContact CG-CB 4.48Å; L735-D737 PolarHBondContact O-N 3.34Å | ||
| 736 | F | 56.8 | Low | 59.2 | Low | 129 Ų | 129 | 76 Ų | 76 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | trans | -71.6 | 88.3 | 173.4 | -170 | -102.1 | 0 | 0 | 0 | 107.6 | T738 I741 L769 L771 | F736-T738 HydrophobicContact CD1-CG2 3.92Å; F736-T738 HydrophobicContact CD2-CG2 4.13Å; F736-T738 HydrophobicContact CE1-CG2 3.65Å; F736-T738 HydrophobicContact CE2-CG2 3.86Å; F736-T738 HydrophobicContact CG-CG2 4.16Å; F736-T738 HydrophobicContact CZ-CG2 3.62Å; F736-I741 HydrophobicContact CE1-CD1 3.41Å; F736-I741 VanDerWaalsContact CE1-CD1 3.41Å; F736-I741 HydrophobicContact CZ-CD1 3.54Å; F736-L769 HydrophobicContact CE2-CD2 4.37Å; F736-L769 HydrophobicContact CZ-CD2 4.26Å; F736-L771 HydrophobicContact CD2-CD2 4.45Å | ||
| 737 | D | 56.7 | Low | 61.7 | Low | 57 Ų | 57 | 77.1 Ų | 77.1 | 31% | 0.305 | 44% | 0.438 | S | S | . | . | trans | -115.5 | 110.2 | -179.8 | -174.6 | 25.6 | 0 | 0 | 0 | 107.4 | R2 L735 Q770 | R2-D737 IonicContact CZ-OD2 3.7Å; R2-D737 IonicContact NE-OD2 3.76Å; R2-D737 PolarHBondContact NE-OD2 3.28Å; R2-D737 IonicContact NH2-OD2 2.77Å; R2-D737 PolarHBondContact NH2-OD2 3.01Å; L735-D737 VanDerWaalsContact C-N 3.25Å; L735-D737 HydrophobicContact CD2-CB 4.38Å; L735-D737 HydrophobicContact CG-CB 4.48Å; L735-D737 PolarHBondContact O-N 3.34Å; D737-Q770 PolarHBondContact O-OE1 3.24Å | ||
| 738 | T | 65.3 | Low | 64.6 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | trans | -133.8 | 138.3 | -165.1 | 57 | 0 | 0 | 0 | 0 | 109.6 | F736 I741 R768 L769 | F736-T738 HydrophobicContact CD1-CG2 3.92Å; F736-T738 HydrophobicContact CD2-CG2 4.13Å; F736-T738 HydrophobicContact CE1-CG2 3.65Å; F736-T738 HydrophobicContact CE2-CG2 3.86Å; F736-T738 HydrophobicContact CG-CG2 4.16Å; F736-T738 HydrophobicContact CZ-CG2 3.62Å; T738-I741 VanDerWaalsContact CB-CG1 3.44Å; T738-I741 HydrophobicContact CG2-CD1 3.63Å; T738-I741 HydrophobicContact CG2-CG1 4.15Å; T738-I741 WeakPolarHBondContact OG1-CD1 3.4Å; T738-I741 VanDerWaalsContact OG1-CG1 3.27Å; T738-I741 WeakPolarHBondContact OG1-CG1 3.44Å; T738-R768 WeakPolarHBondContact CA-O 3.23Å; T738-R768 WeakPolarHBondContact CB-O 3.36Å; T738-L769 WeakPolarHBondContact CG2-O 3.3Å | ||
| 739 | L | 65.6 | Low | 67.1 | Low | 83 Ų | 83 | 74.6 Ų | 74.6 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -105.3 | 117 | -178.5 | -68.9 | 168.7 | 0 | 0 | 0 | 109.1 | R768 | L739-R768 PolarHBondContact N-O 3.45Š|
| 740 | G | 70 | Confident | 69.9 | Low | 58 Ų | 58 | 72.6 Ų | 72.6 | 60% | 0.598 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 63.9 | 48.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 741 | I | 79.2 | Confident | 72.7 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | trans | -63.1 | 134 | 169.7 | -68.8 | -175.3 | 0 | 0 | 0 | 109.7 | F736 T738 T745 | F736-I741 HydrophobicContact CE1-CD1 3.41Å; F736-I741 VanDerWaalsContact CE1-CD1 3.41Å; F736-I741 HydrophobicContact CZ-CD1 3.54Å; T738-I741 VanDerWaalsContact CB-CG1 3.44Å; T738-I741 HydrophobicContact CG2-CD1 3.63Å; T738-I741 HydrophobicContact CG2-CG1 4.15Å; T738-I741 WeakPolarHBondContact OG1-CD1 3.4Å; T738-I741 VanDerWaalsContact OG1-CG1 3.27Å; T738-I741 WeakPolarHBondContact OG1-CG1 3.44Å; I741-T745 WeakPolarHBondContact CA-OG1 3.43Å; I741-T745 VanDerWaalsContact CG2-OG1 3.29Å; I741-T745 WeakPolarHBondContact CG2-OG1 3.22Å | ||
| 742 | D | 83.9 | Confident | 75.1 | Confident | 72 Ų | 72 | 75 Ų | 75 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | trans | -116 | 174.4 | 160.9 | 61 | 35.2 | 0 | 0 | 0 | 110.4 | Q744 T745 R768 | D742-Q744 PolarHBondContact O-N 2.72Å; D742-Q744 VanDerWaalsContact O-N 3.14Å; D742-Q744 VanDerWaalsContact OD1-CA 3.28Å; D742-Q744 WeakPolarHBondContact OD1-CA 3.45Å; D742-Q744 WeakPolarHBondContact OD1-CB 2.95Å; D742-Q744 PolarHBondContact OD1-N 3.39Å; D742-T745 PolarHBondContact N-OG1 2.87Å; D742-T745 PolarHBondContact O-N 3.27Å; D742-T745 PolarHBondContact O-OG1 2.78Å; D742-T745 VanDerWaalsContact OD1-CG2 3.3Å; D742-T745 WeakPolarHBondContact OD1-CG2 3.01Å; D742-T745 PolarHBondContact OD1-N 3.31Å; D742-T745 PolarHBondContact OD1-OG1 3.42Å; D742-R768 IonicContact OD2-NH1 3.86Å | ||
| 743 | E | 86.6 | Confident | 77.6 | Confident | 178 Ų | 178 | 73.1 Ų | 73.1 | 83% | 0.832 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.5 | 177 | -169.7 | 180 | 175.5 | 0 | 0 | 112.9 | ||
| 744 | Q | 85.9 | Confident | 79.9 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -23.4 | -179.2 | -58.5 | -61.1 | -29.1 | 0 | 0 | 112.6 | D742 T746 N749 | D742-Q744 PolarHBondContact O-N 2.72Å; D742-Q744 VanDerWaalsContact O-N 3.14Å; D742-Q744 VanDerWaalsContact OD1-CA 3.28Å; D742-Q744 WeakPolarHBondContact OD1-CA 3.45Å; D742-Q744 WeakPolarHBondContact OD1-CB 2.95Å; D742-Q744 PolarHBondContact OD1-N 3.39Å; Q744-T746 VanDerWaalsContact C-N 3.31Å; Q744-T746 PolarHBondContact O-N 2.92Å; Q744-N749 VanDerWaalsContact O-CB 3.25Å; Q744-N749 WeakPolarHBondContact O-CB 3.43Å; Q744-N749 PolarHBondContact O-ND2 3.39Å |
| 745 | T | 87.4 | Confident | 82.1 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.043 | 38% | 0.377 | C | S | . | . | trans | -74.4 | 80.6 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | I741 D742 M765 R768 L769 | I741-T745 WeakPolarHBondContact CA-OG1 3.43Å; I741-T745 VanDerWaalsContact CG2-OG1 3.29Å; I741-T745 WeakPolarHBondContact CG2-OG1 3.22Å; D742-T745 PolarHBondContact N-OG1 2.87Å; D742-T745 PolarHBondContact O-N 3.27Å; D742-T745 PolarHBondContact O-OG1 2.78Å; D742-T745 VanDerWaalsContact OD1-CG2 3.3Å; D742-T745 WeakPolarHBondContact OD1-CG2 3.01Å; D742-T745 PolarHBondContact OD1-N 3.31Å; D742-T745 PolarHBondContact OD1-OG1 3.42Å; T745-M765 HydrophobicContact CG2-CG 4.24Å; T745-R768 HydrophobicContact CG2-CB 4.47Å; T745-L769 WeakPolarHBondContact O-CD2 3.42Å | ||
| 746 | T | 90.4 | Very high | 84.3 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | trans | -125.6 | 151.6 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 111 | Q744 S748 N749 A750 | Q744-T746 VanDerWaalsContact C-N 3.31Å; Q744-T746 PolarHBondContact O-N 2.92Å; T746-S748 PolarHBondContact O-N 3.37Å; T746-S748 PolarHBondContact OG1-OG 3.2Å; T746-N749 PolarHBondContact O-N 3.15Å; T746-N749 VanDerWaalsContact OG1-CB 3.29Å; T746-N749 WeakPolarHBondContact OG1-CB 3.36Å; T746-N749 PolarHBondContact OG1-N 3.22Å; T746-N749 VanDerWaalsContact OG1-N 3.16Å; T746-N749 PolarHBondContact OG1-ND2 3.14Å; T746-N749 VanDerWaalsContact OG1-ND2 3.15Å; T746-A750 PolarHBondContact O-N 3.28Å | ||
| 747 | P | 91.4 | Very high | 86 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.2 | -35.5 | 175.5 | -24.8 | 33.7 | 0 | 0 | 0 | 112.8 | R751 L769 L771 L774 | P747-R751 WeakPolarHBondContact O-CG 3.27Å; P747-R751 PolarHBondContact O-N 3.27Å; P747-L769 HydrophobicContact CG-CD1 4.15Å; P747-L771 HydrophobicContact CG-CD1 3.76Å; P747-L774 HydrophobicContact CB-CD1 4.48Å; P747-L774 HydrophobicContact CB-CD2 4.1Å |
| 748 | S | 93.8 | Very high | 87.7 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.5 | 41.9 | 0 | 0 | 0 | 0 | 112.2 | T746 R751 N752 | T746-S748 PolarHBondContact O-N 3.37Å; T746-S748 PolarHBondContact OG1-OG 3.2Å; S748-R751 PolarHBondContact O-N 3.04Å; S748-N752 WeakPolarHBondContact O-CB 3.32Å; S748-N752 PolarHBondContact O-N 3.06Å; S748-N752 PolarHBondContact O-ND2 2.93Å |
| 749 | N | 94.7 | Very high | 89.1 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 24% | 0.235 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.6 | -37.3 | 179.2 | -71.1 | -11.3 | 0 | 0 | 0 | 111.9 | Q744 T746 R751 N752 A753 M765 | Q744-N749 VanDerWaalsContact O-CB 3.25Å; Q744-N749 WeakPolarHBondContact O-CB 3.43Å; Q744-N749 PolarHBondContact O-ND2 3.39Å; T746-N749 PolarHBondContact O-N 3.15Å; T746-N749 VanDerWaalsContact OG1-CB 3.29Å; T746-N749 WeakPolarHBondContact OG1-CB 3.36Å; T746-N749 PolarHBondContact OG1-N 3.22Å; T746-N749 VanDerWaalsContact OG1-N 3.16Å; T746-N749 PolarHBondContact OG1-ND2 3.14Å; T746-N749 VanDerWaalsContact OG1-ND2 3.15Å; N749-R751 VanDerWaalsContact C-N 3.35Å; N749-R751 PolarHBondContact O-N 3.05Å; N749-N752 PolarHBondContact O-N 3.24Å; N749-A753 WeakPolarHBondContact O-CB 3.32Å; N749-A753 PolarHBondContact O-N 3.29Å; N749-M765 HydrophobicContact CB-SD 3.84Å |
| 750 | A | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T746 A753 L754 M765 L774 | T746-A750 PolarHBondContact O-N 3.28Å; A750-A753 PolarHBondContact O-N 2.79Å; A750-L754 WeakPolarHBondContact O-CB 3.35Å; A750-L754 PolarHBondContact O-N 3.39Å; A750-M765 HydrophobicContact CB-CB 4.03Å; A750-L774 HydrophobicContact CB-CD1 4.35Å; A750-L774 HydrophobicContact CB-CD2 4.09Å |
| 751 | R | 95.8 | Very high | 91.5 | Very high | 123 Ų | 123 | 69.9 Ų | 69.9 | 46% | 0.464 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 174.4 | -73.5 | 177.6 | 172.8 | 159.4 | 4.5 | 112.6 | P747 S748 N749 L754 I755 L774 E777 | P747-R751 WeakPolarHBondContact O-CG 3.27Å; P747-R751 PolarHBondContact O-N 3.27Å; S748-R751 PolarHBondContact O-N 3.04Å; N749-R751 VanDerWaalsContact C-N 3.35Å; N749-R751 PolarHBondContact O-N 3.05Å; R751-L754 WeakPolarHBondContact O-CB 3.45Å; R751-L754 PolarHBondContact O-N 3Å; R751-I755 VanDerWaalsContact O-CG1 3.3Å; R751-I755 WeakPolarHBondContact O-CG1 3.35Å; R751-I755 PolarHBondContact O-N 2.73Å; R751-L774 HydrophobicContact CG-CD1 4.23Å; R751-E777 IonicContact CZ-OE2 3.71Å; R751-E777 IonicContact NE-OE1 2.71Å; R751-E777 PolarHBondContact NE-OE1 3.42Å; R751-E777 IonicContact NE-OE2 3.37Å; R751-E777 PolarHBondContact NE-OE2 3.02Å; R751-E777 VanDerWaalsContact NE-OE2 3.08Å; R751-E777 IonicContact NH2-OE2 3.46Å; R751-E777 PolarHBondContact NH2-OE2 2.85Å |
| 752 | N | 95.3 | Very high | 92.2 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.9 | -71.8 | -22.5 | 0 | 0 | 0 | 112.1 | S748 N749 L754 I755 Q756 | S748-N752 WeakPolarHBondContact O-CB 3.32Å; S748-N752 PolarHBondContact O-N 3.06Å; S748-N752 PolarHBondContact O-ND2 2.93Å; N749-N752 PolarHBondContact O-N 3.24Å; N752-L754 VanDerWaalsContact C-N 3.34Å; N752-I755 PolarHBondContact O-N 2.81Å; N752-Q756 VanDerWaalsContact O-CG 3.29Å; N752-Q756 WeakPolarHBondContact O-CG 3.3Å; N752-Q756 PolarHBondContact O-N 3.44Å; N752-Q756 VanDerWaalsContact O-N 3.08Å |
| 753 | A | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N749 A750 Q756 G757 R758 E761 A762 M765 | N749-A753 WeakPolarHBondContact O-CB 3.32Å; N749-A753 PolarHBondContact O-N 3.29Å; A750-A753 PolarHBondContact O-N 2.79Å; A753-Q756 PolarHBondContact O-N 2.89Å; A753-G757 PolarHBondContact O-N 2.82Å; A753-R758 HydrophobicContact CB-CB 4.34Å; A753-R758 PolarHBondContact O-N 2.75Å; A753-E761 HydrophobicContact CB-CB 4.4Å; A753-A762 HydrophobicContact CB-CB 3.98Å; A753-M765 HydrophobicContact CB-CE 3.56Å |
| 754 | L | 94.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 173.9 | -171.4 | 160.6 | 0 | 0 | 0 | 111.5 | A750 R751 N752 Q756 G757 A762 V778 S781 | A750-L754 WeakPolarHBondContact O-CB 3.35Å; A750-L754 PolarHBondContact O-N 3.39Å; R751-L754 WeakPolarHBondContact O-CB 3.45Å; R751-L754 PolarHBondContact O-N 3Å; N752-L754 VanDerWaalsContact C-N 3.34Å; L754-Q756 PolarHBondContact O-N 3.48Å; L754-G757 PolarHBondContact O-N 3.42Å; L754-A762 HydrophobicContact CB-CB 4.27Å; L754-V778 HydrophobicContact CD1-CB 4.42Å; L754-V778 HydrophobicContact CD1-CG2 3.99Å; L754-S781 WeakPolarHBondContact CD1-OG 3.48Å; L754-S781 WeakPolarHBondContact CG-OG 3.36Å |
| 755 | I | 94.5 | Very high | 93 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 70% | 0.697 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.2 | -35.3 | 176.3 | -67.9 | 163.6 | 0 | 0 | 0 | 111.6 | R751 N752 G757 | R751-I755 VanDerWaalsContact O-CG1 3.3Å; R751-I755 WeakPolarHBondContact O-CG1 3.35Å; R751-I755 PolarHBondContact O-N 2.73Å; N752-I755 PolarHBondContact O-N 2.81Å; I755-G757 PolarHBondContact O-N 3.03Å |
| 756 | Q | 94.7 | Very high | 93.1 | Very high | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.1 | 177.7 | -68.2 | 171.5 | 4.9 | 0 | 0 | 113.7 | N752 A753 L754 R758 | N752-Q756 VanDerWaalsContact O-CG 3.29Å; N752-Q756 WeakPolarHBondContact O-CG 3.3Å; N752-Q756 PolarHBondContact O-N 3.44Å; N752-Q756 VanDerWaalsContact O-N 3.08Å; A753-Q756 PolarHBondContact O-N 2.89Å; L754-Q756 PolarHBondContact O-N 3.48Å; Q756-R758 HydrophobicContact CB-CG 4.35Å; Q756-R758 PolarHBondContact O-N 2.6Å |
| 757 | G | 91.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 12.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A753 L754 I755 H759 | A753-G757 PolarHBondContact O-N 2.82Å; L754-G757 PolarHBondContact O-N 3.42Å; I755-G757 PolarHBondContact O-N 3.03Å; G757-H759 VanDerWaalsContact C-N 3.31Å; G757-H759 PolarHBondContact O-CD2 3Å; G757-H759 PolarHBondContact O-N 2.57Å; G757-H759 VanDerWaalsContact O-N 3.11Å |
| 758 | R | 94.4 | Very high | 92.7 | Very high | 111 Ų | 111 | 50 Ų | 50 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | trans | -86.8 | 69.3 | 178 | -64.7 | -165.6 | -74.1 | 158.4 | -0.6 | 110.5 | A753 Q756 A760 E761 A762 | A753-R758 HydrophobicContact CB-CB 4.34Å; A753-R758 PolarHBondContact O-N 2.75Å; Q756-R758 HydrophobicContact CB-CG 4.35Å; Q756-R758 PolarHBondContact O-N 2.6Å; R758-A760 PolarHBondContact O-N 3.18Å; R758-E761 HydrophobicContact CB-CB 4.47Å; R758-E761 IonicContact CZ-OE1 3.38Å; R758-E761 IonicContact CZ-OE2 3.28Å; R758-E761 IonicContact NE-OE2 3.74Å; R758-E761 PolarHBondContact NE-OE2 3.44Å; R758-E761 IonicContact NH1-OE1 3.42Å; R758-E761 PolarHBondContact NH1-OE1 2.78Å; R758-E761 IonicContact NH1-OE2 2.72Å; R758-E761 PolarHBondContact NH1-OE2 3.47Å; R758-E761 IonicContact NH2-OE2 2.92Å; R758-E761 PolarHBondContact O-N 2.93Å; R758-A762 PolarHBondContact O-N 2.92Å; R758-A762 VanDerWaalsContact O-N 3.11Å | ||
| 759 | H | 94.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -36.8 | -173.2 | -62.1 | -69 | 0 | 0 | 0 | 114.4 | G757 A762 L763 I782 Q786 L790 | G757-H759 VanDerWaalsContact C-N 3.31Å; G757-H759 PolarHBondContact O-CD2 3Å; G757-H759 PolarHBondContact O-N 2.57Å; G757-H759 VanDerWaalsContact O-N 3.11Å; H759-A762 PolarHBondContact O-N 3.44Å; H759-L763 VanDerWaalsContact O-CB 3.24Å; H759-L763 WeakPolarHBondContact O-CB 3.42Å; H759-L763 PolarHBondContact O-N 2.76Å; H759-I782 HydrophobicContact CB-CG1 4.17Å; H759-Q786 PolarHBondContact CD2-OE1 3.25Å; H759-L790 HydrophobicContact CB-CD1 4.01Å |
| 760 | A | 93 | Very high | 91.5 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R758 L763 D764 L790 | R758-A760 PolarHBondContact O-N 3.18Å; A760-L763 PolarHBondContact O-N 2.82Å; A760-D764 WeakPolarHBondContact O-CB 3.46Å; A760-D764 PolarHBondContact O-N 2.93Å; A760-L790 HydrophobicContact CB-CD2 3.62Å |
| 761 | E | 92.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 177.2 | -64.2 | 178.7 | -165.3 | 0 | 0 | 111.5 | A753 R758 L763 D764 M765 | A753-E761 HydrophobicContact CB-CB 4.4Å; R758-E761 HydrophobicContact CB-CB 4.47Å; R758-E761 IonicContact CZ-OE1 3.38Å; R758-E761 IonicContact CZ-OE2 3.28Å; R758-E761 IonicContact NE-OE2 3.74Å; R758-E761 PolarHBondContact NE-OE2 3.44Å; R758-E761 IonicContact NH1-OE1 3.42Å; R758-E761 PolarHBondContact NH1-OE1 2.78Å; R758-E761 IonicContact NH1-OE2 2.72Å; R758-E761 PolarHBondContact NH1-OE2 3.47Å; R758-E761 IonicContact NH2-OE2 2.92Å; R758-E761 PolarHBondContact O-N 2.93Å; E761-L763 VanDerWaalsContact C-N 3.31Å; E761-L763 PolarHBondContact O-N 3.07Å; E761-D764 PolarHBondContact O-N 3.47Å; E761-M765 HydrophobicContact CB-CE 4.2Å; E761-M765 WeakPolarHBondContact O-CB 3.2Å; E761-M765 WeakPolarHBondContact O-CE 3.32Å; E761-M765 WeakPolarHBondContact O-CG 3.46Å; E761-M765 PolarHBondContact O-N 3.09Å |
| 762 | A | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A753 L754 R758 H759 A766 V778 | A753-A762 HydrophobicContact CB-CB 3.98Å; L754-A762 HydrophobicContact CB-CB 4.27Å; R758-A762 PolarHBondContact O-N 2.92Å; R758-A762 VanDerWaalsContact O-N 3.11Å; H759-A762 PolarHBondContact O-N 3.44Å; A762-A766 VanDerWaalsContact O-CB 3.28Å; A762-A766 WeakPolarHBondContact O-CB 3.39Å; A762-A766 PolarHBondContact O-N 3.02Å; A762-V778 HydrophobicContact CB-CG1 4.03Å |
| 763 | L | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68 | -43.8 | 179.7 | -173.1 | 63.6 | 0 | 0 | 0 | 112.1 | H759 A760 E761 A766 I767 V778 I779 I782 L790 L794 W824 | H759-L763 VanDerWaalsContact O-CB 3.24Å; H759-L763 WeakPolarHBondContact O-CB 3.42Å; H759-L763 PolarHBondContact O-N 2.76Å; A760-L763 PolarHBondContact O-N 2.82Å; E761-L763 VanDerWaalsContact C-N 3.31Å; E761-L763 PolarHBondContact O-N 3.07Å; L763-A766 PolarHBondContact O-N 3.49Å; L763-I767 HydrophobicContact CD1-CD1 3.95Å; L763-I767 HydrophobicContact CD1-CG1 4.34Å; L763-I767 HydrophobicContact CG-CD1 3.83Å; L763-I767 WeakPolarHBondContact O-CB 3.48Å; L763-I767 VanDerWaalsContact O-CG1 3.26Å; L763-I767 WeakPolarHBondContact O-CG1 2.89Å; L763-I767 PolarHBondContact O-N 2.84Å; L763-V778 HydrophobicContact CB-CG1 4.27Å; L763-V778 HydrophobicContact CD1-CG1 4.25Å; L763-I779 HydrophobicContact CD1-CD1 4.23Å; L763-I779 HydrophobicContact CD1-CG1 3.69Å; L763-I782 HydrophobicContact CD1-CD1 4.29Å; L763-I782 HydrophobicContact CD2-CD1 4.24Å; L763-L790 HydrophobicContact CD2-CB 4.31Å; L763-L794 HydrophobicContact CD2-CD1 3.95Å; L763-L794 HydrophobicContact CD2-CD2 4.15Å; L763-L794 HydrophobicContact CD2-CG 4.37Å; L763-L794 HydrophobicContact CG-CD2 4.35Å; L763-W824 HydrophobicContact CD2-CH2 4.04Å; L763-W824 HydrophobicContact CD2-CZ3 4.5Å |
| 764 | D | 90.2 | Very high | 89.1 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -48.7 | 175.7 | -179.9 | 45 | 0 | 0 | 0 | 111.4 | A760 E761 A766 I767 R768 Q798 | A760-D764 WeakPolarHBondContact O-CB 3.46Å; A760-D764 PolarHBondContact O-N 2.93Å; E761-D764 PolarHBondContact O-N 3.47Å; D764-A766 VanDerWaalsContact C-N 3.34Å; D764-A766 PolarHBondContact O-N 3.31Å; D764-I767 PolarHBondContact O-N 2.89Å; D764-R768 VanDerWaalsContact O-CG 3.31Å; D764-R768 WeakPolarHBondContact O-CG 3.5Å; D764-R768 PolarHBondContact O-N 2.89Å; D764-R768 IonicContact OD1-CZ 3.6Å; D764-R768 IonicContact OD1-NE 3.76Å; D764-R768 PolarHBondContact OD1-NE 3.43Å; D764-R768 IonicContact OD1-NH2 3.41Å; D764-R768 PolarHBondContact OD1-NH2 2.81Å; D764-R768 IonicContact OD2-CZ 3.18Å; D764-R768 IonicContact OD2-NE 2.9Å; D764-R768 PolarHBondContact OD2-NE 3.13Å; D764-R768 VanDerWaalsContact OD2-NE 3.16Å; D764-R768 IonicContact OD2-NH2 2.72Å; D764-R768 PolarHBondContact OD2-NH2 2.87Å; D764-Q798 PolarHBondContact OD1-NE2 3.03Å; D764-Q798 PolarHBondContact OD1-OE1 2.9Å |
| 765 | M | 90 | Very high | 88.8 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 11% | 0.108 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.2 | -74.8 | -173.2 | -83.3 | 0 | 0 | 112.1 | T745 N749 A750 A753 E761 R768 L769 | T745-M765 HydrophobicContact CG2-CG 4.24Å; N749-M765 HydrophobicContact CB-SD 3.84Å; A750-M765 HydrophobicContact CB-CB 4.03Å; A753-M765 HydrophobicContact CB-CE 3.56Å; E761-M765 HydrophobicContact CB-CE 4.2Å; E761-M765 WeakPolarHBondContact O-CB 3.2Å; E761-M765 WeakPolarHBondContact O-CE 3.32Å; E761-M765 WeakPolarHBondContact O-CG 3.46Å; E761-M765 PolarHBondContact O-N 3.09Å; M765-R768 PolarHBondContact O-N 3.27Å; M765-L769 WeakPolarHBondContact O-CB 3.32Å; M765-L769 WeakPolarHBondContact O-CG 3.4Å; M765-L769 PolarHBondContact O-N 2.54Å |
| 766 | A | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | A762 L763 D764 L769 Q770 L774 V775 V778 | A762-A766 VanDerWaalsContact O-CB 3.28Å; A762-A766 WeakPolarHBondContact O-CB 3.39Å; A762-A766 PolarHBondContact O-N 3.02Å; L763-A766 PolarHBondContact O-N 3.49Å; D764-A766 VanDerWaalsContact C-N 3.34Å; D764-A766 PolarHBondContact O-N 3.31Å; A766-L769 PolarHBondContact O-N 3.36Å; A766-Q770 PolarHBondContact O-N 2.91Å; A766-L774 HydrophobicContact CB-CD2 4.29Å; A766-L774 HydrophobicContact CB-CG 4.22Å; A766-V775 HydrophobicContact CB-CG2 3.87Å; A766-V775 VanDerWaalsContact O-CG2 3.25Å; A766-V775 WeakPolarHBondContact O-CG2 3.31Å; A766-V778 HydrophobicContact CB-CB 4.32Å; A766-V778 HydrophobicContact CB-CG2 4.03Å |
| 767 | I | 86.7 | Confident | 88.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -35.2 | 178.5 | -66.7 | 168.3 | 0 | 0 | 0 | 111.5 | L763 D764 Q770 L794 Q798 Y802 L803 | L763-I767 HydrophobicContact CD1-CD1 3.95Å; L763-I767 HydrophobicContact CD1-CG1 4.34Å; L763-I767 HydrophobicContact CG-CD1 3.83Å; L763-I767 WeakPolarHBondContact O-CB 3.48Å; L763-I767 VanDerWaalsContact O-CG1 3.26Å; L763-I767 WeakPolarHBondContact O-CG1 2.89Å; L763-I767 PolarHBondContact O-N 2.84Å; D764-I767 PolarHBondContact O-N 2.89Å; I767-Q770 WeakPolarHBondContact O-CG 3.47Å; I767-Q770 PolarHBondContact O-N 3.03Å; I767-L794 HydrophobicContact CD1-CD1 4.25Å; I767-L794 HydrophobicContact CD1-CD2 3.92Å; I767-Q798 HydrophobicContact CG2-CB 3.91Å; I767-Q798 HydrophobicContact CG2-CG 4.18Å; I767-Y802 HydrophobicContact CG2-CD1 4.15Å; I767-L803 HydrophobicContact CD1-CD1 4.45Å |
| 768 | R | 86.3 | Confident | 88.5 | Confident | 68 Ų | 68 | 33.3 Ų | 33.3 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 175 | -70.7 | -179.6 | -166.4 | -164.3 | 10.9 | 113 | T738 L739 D742 T745 D764 M765 Q770 | T738-R768 WeakPolarHBondContact CA-O 3.23Å; T738-R768 WeakPolarHBondContact CB-O 3.36Å; L739-R768 PolarHBondContact N-O 3.45Å; D742-R768 IonicContact OD2-NH1 3.86Å; T745-R768 HydrophobicContact CG2-CB 4.47Å; D764-R768 VanDerWaalsContact O-CG 3.31Å; D764-R768 WeakPolarHBondContact O-CG 3.5Å; D764-R768 PolarHBondContact O-N 2.89Å; D764-R768 IonicContact OD1-CZ 3.6Å; D764-R768 IonicContact OD1-NE 3.76Å; D764-R768 PolarHBondContact OD1-NE 3.43Å; D764-R768 IonicContact OD1-NH2 3.41Å; D764-R768 PolarHBondContact OD1-NH2 2.81Å; D764-R768 IonicContact OD2-CZ 3.18Å; D764-R768 IonicContact OD2-NE 2.9Å; D764-R768 PolarHBondContact OD2-NE 3.13Å; D764-R768 VanDerWaalsContact OD2-NE 3.16Å; D764-R768 IonicContact OD2-NH2 2.72Å; D764-R768 PolarHBondContact OD2-NH2 2.87Å; M765-R768 PolarHBondContact O-N 3.27Å; R768-Q770 VanDerWaalsContact C-N 3.3Å |
| 769 | L | 83.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.6 | -25.2 | 175.9 | -77.2 | 171.8 | 0 | 0 | 0 | 113.2 | F736 T738 T745 P747 M765 A766 L771 L774 | F736-L769 HydrophobicContact CE2-CD2 4.37Å; F736-L769 HydrophobicContact CZ-CD2 4.26Å; T738-L769 WeakPolarHBondContact CG2-O 3.3Å; T745-L769 WeakPolarHBondContact O-CD2 3.42Å; P747-L769 HydrophobicContact CG-CD1 4.15Å; M765-L769 WeakPolarHBondContact O-CB 3.32Å; M765-L769 WeakPolarHBondContact O-CG 3.4Å; M765-L769 PolarHBondContact O-N 2.54Å; A766-L769 PolarHBondContact O-N 3.36Å; L769-L771 HydrophobicContact CB-CD1 4.31Å; L769-L771 HydrophobicContact CB-CG 4.16Å; L769-L771 PolarHBondContact O-N 3.3Å; L769-L771 VanDerWaalsContact O-N 3.08Å; L769-L774 HydrophobicContact CD1-CD2 3.78Å |
| 770 | Q | 79.9 | Confident | 88.4 | Confident | 20 Ų | 20 | 30.2 Ų | 30.2 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.7 | 178.5 | -60.4 | -172.2 | -3.7 | 0 | 0 | 114.5 | D737 A766 I767 R768 H772 Y802 | D737-Q770 PolarHBondContact O-OE1 3.24Å; A766-Q770 PolarHBondContact O-N 2.91Å; I767-Q770 WeakPolarHBondContact O-CG 3.47Å; I767-Q770 PolarHBondContact O-N 3.03Å; R768-Q770 VanDerWaalsContact C-N 3.3Å; Q770-H772 PolarHBondContact O-N 2.53Å; Q770-Y802 HydrophobicContact CB-CD2 4.14Å; Q770-Y802 HydrophobicContact CB-CE2 3.79Å; Q770-Y802 HydrophobicContact CG-CD2 3.83Å; Q770-Y802 HydrophobicContact CG-CE2 4Å; Q770-Y802 HydrophobicContact CG-CG 4.18Å |
| 771 | L | 80.4 | Confident | 88.5 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 15% | 0.152 | 15% | 0.146 | C | C | . | . | trans | -85.5 | 111.3 | 173.3 | -56.1 | 172.8 | 0 | 0 | 0 | 108.4 | W734 F736 P747 L769 E773 L774 V775 | W734-L771 HydrophobicContact CE3-CD2 3.96Å; W734-L771 HydrophobicContact CZ3-CD2 3.51Å; F736-L771 HydrophobicContact CD2-CD2 4.45Å; P747-L771 HydrophobicContact CG-CD1 3.76Å; L769-L771 HydrophobicContact CB-CD1 4.31Å; L769-L771 HydrophobicContact CB-CG 4.16Å; L769-L771 PolarHBondContact O-N 3.3Å; L769-L771 VanDerWaalsContact O-N 3.08Å; L771-E773 PolarHBondContact O-N 3.23Å; L771-L774 HydrophobicContact CB-CB 3.94Å; L771-L774 HydrophobicContact CD1-CD2 4.29Å; L771-L774 PolarHBondContact O-N 2.55Å; L771-V775 WeakPolarHBondContact O-CG2 3.31Å; L771-V775 PolarHBondContact O-N 3.37Å | ||
| 772 | H | 78.5 | Confident | 88.6 | Confident | 35 Ų | 35 | 26.5 Ų | 26.5 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.9 | -47.6 | -173.9 | -178.9 | 88.4 | 0 | 0 | 0 | 113.1 | Q770 L774 V775 E776 F806 Q810 R814 | Q770-H772 PolarHBondContact O-N 2.53Å; H772-L774 PolarHBondContact O-N 2.86Å; H772-V775 PolarHBondContact O-N 3.1Å; H772-E776 IonicContact CD2-OE2 3.88Å; H772-E776 PolarHBondContact CD2-OE2 3.35Å; H772-E776 IonicContact CE1-OE2 2.77Å; H772-E776 IonicContact NE2-OE2 3.91Å; H772-E776 PolarHBondContact NE2-OE2 3.49Å; H772-E776 WeakPolarHBondContact O-CB 3.17Å; H772-E776 PolarHBondContact O-N 3.36Å; H772-F806 AromaticContact CE1-CD2 3.76Å; H772-F806 AromaticContact CE1-CE2 3.36Å; H772-F806 WeakPolarHBondContact CE1-CE2 3.41Å; H772-F806 AromaticContact ND1-CD2 3.61Å; H772-F806 AromaticContact ND1-CE2 3.49Å; H772-F806 WeakPolarHBondContact ND1-CE2 3.09Å; H772-F806 AromaticContact NE2-CE2 4Å; H772-Q810 PolarHBondContact CE1-NE2 2.82Å; H772-Q810 PolarHBondContact NE2-NE2 3.15Å; H772-Q810 VanDerWaalsContact NE2-NE2 3.13Å; H772-R814 PolarHBondContact NE2-NE 3.16Å |
| 773 | E | 81.9 | Confident | 88.6 | Confident | 90 Ų | 90 | 28.9 Ų | 28.9 | 42% | 0.421 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64 | -40.1 | -179.2 | -63.1 | -176.1 | 167.3 | 0 | 0 | 112.4 | S729 L771 E776 E777 | S729-E773 WeakPolarHBondContact CB-OE1 3.21Å; L771-E773 PolarHBondContact O-N 3.23Å; E773-E776 PolarHBondContact O-N 2.87Å; E773-E777 WeakPolarHBondContact O-CB 3.04Å; E773-E777 PolarHBondContact O-N 2.86Å |
| 774 | L | 88.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 176.8 | -175.9 | 68.9 | 0 | 0 | 0 | 111.1 | P747 A750 R751 A766 L769 L771 H772 E777 V778 | P747-L774 HydrophobicContact CB-CD1 4.48Å; P747-L774 HydrophobicContact CB-CD2 4.1Å; A750-L774 HydrophobicContact CB-CD1 4.35Å; A750-L774 HydrophobicContact CB-CD2 4.09Å; R751-L774 HydrophobicContact CG-CD1 4.23Å; A766-L774 HydrophobicContact CB-CD2 4.29Å; A766-L774 HydrophobicContact CB-CG 4.22Å; L769-L774 HydrophobicContact CD1-CD2 3.78Å; L771-L774 HydrophobicContact CB-CB 3.94Å; L771-L774 HydrophobicContact CD1-CD2 4.29Å; L771-L774 PolarHBondContact O-N 2.55Å; H772-L774 PolarHBondContact O-N 2.86Å; L774-E777 PolarHBondContact O-N 2.82Å; L774-V778 WeakPolarHBondContact O-CB 3.46Å; L774-V778 VanDerWaalsContact O-CG2 3.26Å; L774-V778 WeakPolarHBondContact O-CG2 3.19Å; L774-V778 PolarHBondContact O-N 3.42Å |
| 775 | V | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | A766 L771 H772 V778 I779 Y802 F806 | A766-V775 HydrophobicContact CB-CG2 3.87Å; A766-V775 VanDerWaalsContact O-CG2 3.25Å; A766-V775 WeakPolarHBondContact O-CG2 3.31Å; L771-V775 WeakPolarHBondContact O-CG2 3.31Å; L771-V775 PolarHBondContact O-N 3.37Å; H772-V775 PolarHBondContact O-N 3.1Å; V775-V778 PolarHBondContact O-N 3.48Å; V775-I779 HydrophobicContact CG1-CD1 3.57Å; V775-I779 HydrophobicContact CG1-CG1 4.24Å; V775-I779 VanDerWaalsContact O-CB 3.25Å; V775-I779 WeakPolarHBondContact O-CB 3.32Å; V775-I779 WeakPolarHBondContact O-CG1 3.32Å; V775-I779 PolarHBondContact O-N 2.9Å; V775-Y802 HydrophobicContact CB-CE1 4.44Å; V775-Y802 HydrophobicContact CG1-CE1 4.17Å; V775-Y802 HydrophobicContact CG2-CE1 3.91Å; V775-F806 HydrophobicContact CB-CD2 4.37Å; V775-F806 HydrophobicContact CB-CE2 3.96Å; V775-F806 HydrophobicContact CB-CZ 4.32Å; V775-F806 HydrophobicContact CG1-CD1 4.15Å; V775-F806 HydrophobicContact CG1-CD2 3.85Å; V775-F806 HydrophobicContact CG1-CE1 3.98Å; V775-F806 HydrophobicContact CG1-CE2 3.63Å; V775-F806 HydrophobicContact CG1-CG 4.1Å; V775-F806 HydrophobicContact CG1-CZ 3.71Å |
| 776 | E | 89.5 | Confident | 88.9 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 173.5 | -170.6 | 171 | 153.4 | 0 | 0 | 111.2 | H772 E773 V778 I779 E780 F806 Q810 R814 | H772-E776 IonicContact CD2-OE2 3.88Å; H772-E776 PolarHBondContact CD2-OE2 3.35Å; H772-E776 IonicContact CE1-OE2 2.77Å; H772-E776 IonicContact NE2-OE2 3.91Å; H772-E776 PolarHBondContact NE2-OE2 3.49Å; H772-E776 WeakPolarHBondContact O-CB 3.17Å; H772-E776 PolarHBondContact O-N 3.36Å; E773-E776 PolarHBondContact O-N 2.87Å; E776-V778 PolarHBondContact O-N 3.14Å; E776-I779 PolarHBondContact O-N 3.36Å; E776-E780 WeakPolarHBondContact O-CB 3.44Å; E776-E780 WeakPolarHBondContact O-CG 3.09Å; E776-E780 PolarHBondContact O-N 2.77Å; E776-F806 HydrophobicContact CB-CE2 4.45Å; E776-F806 HydrophobicContact CB-CZ 4.09Å; E776-Q810 PolarHBondContact OE2-NE2 3.5Å; E776-R814 IonicContact OE2-NE 2.85Å; E776-R814 PolarHBondContact OE2-NE 2.84Å |
| 777 | E | 91.6 | Very high | 89.1 | Confident | 77 Ų | 77 | 40 Ų | 40 | 36% | 0.36 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.5 | -48.5 | 175 | -174.9 | -175.2 | 164.6 | 0 | 0 | 111.7 | R751 E773 L774 S781 | R751-E777 IonicContact CZ-OE2 3.71Å; R751-E777 IonicContact NE-OE1 2.71Å; R751-E777 PolarHBondContact NE-OE1 3.42Å; R751-E777 IonicContact NE-OE2 3.37Å; R751-E777 PolarHBondContact NE-OE2 3.02Å; R751-E777 VanDerWaalsContact NE-OE2 3.08Å; R751-E777 IonicContact NH2-OE2 3.46Å; R751-E777 PolarHBondContact NH2-OE2 2.85Å; E773-E777 WeakPolarHBondContact O-CB 3.04Å; E773-E777 PolarHBondContact O-N 2.86Å; L774-E777 PolarHBondContact O-N 2.82Å; E777-S781 WeakPolarHBondContact O-CB 3.39Å; E777-S781 PolarHBondContact O-N 2.9Å |
| 778 | V | 93.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -46.3 | -179.5 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | L754 A762 L763 A766 L774 V775 E776 S781 I782 | L754-V778 HydrophobicContact CD1-CB 4.42Å; L754-V778 HydrophobicContact CD1-CG2 3.99Å; A762-V778 HydrophobicContact CB-CG1 4.03Å; L763-V778 HydrophobicContact CB-CG1 4.27Å; L763-V778 HydrophobicContact CD1-CG1 4.25Å; A766-V778 HydrophobicContact CB-CB 4.32Å; A766-V778 HydrophobicContact CB-CG2 4.03Å; L774-V778 WeakPolarHBondContact O-CB 3.46Å; L774-V778 VanDerWaalsContact O-CG2 3.26Å; L774-V778 WeakPolarHBondContact O-CG2 3.19Å; L774-V778 PolarHBondContact O-N 3.42Å; V775-V778 PolarHBondContact O-N 3.48Å; E776-V778 PolarHBondContact O-N 3.14Å; V778-S781 PolarHBondContact O-N 3.32Å; V778-S781 PolarHBondContact O-OG 3.22Å; V778-I782 HydrophobicContact CG1-CD1 4.47Å; V778-I782 WeakPolarHBondContact O-CG1 3.42Å; V778-I782 PolarHBondContact O-N 3.46Å |
| 779 | I | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | -178.1 | -75.6 | 175.4 | 0 | 0 | 0 | 111.5 | L763 V775 E776 S781 I782 L803 F806 F820 Y821 | L763-I779 HydrophobicContact CD1-CD1 4.23Å; L763-I779 HydrophobicContact CD1-CG1 3.69Å; V775-I779 HydrophobicContact CG1-CD1 3.57Å; V775-I779 HydrophobicContact CG1-CG1 4.24Å; V775-I779 VanDerWaalsContact O-CB 3.25Å; V775-I779 WeakPolarHBondContact O-CB 3.32Å; V775-I779 WeakPolarHBondContact O-CG1 3.32Å; V775-I779 PolarHBondContact O-N 2.9Å; E776-I779 PolarHBondContact O-N 3.36Å; I779-S781 VanDerWaalsContact C-N 3.26Å; I779-S781 PolarHBondContact O-N 3.33Å; I779-I782 PolarHBondContact O-N 3.16Å; I779-L803 HydrophobicContact CD1-CD1 4.06Å; I779-F806 HydrophobicContact CD1-CD1 3.8Å; I779-F806 HydrophobicContact CD1-CE1 3.45Å; I779-F806 VanDerWaalsContact CD1-CE1 3.45Å; I779-F806 HydrophobicContact CD1-CZ 4.22Å; I779-F820 HydrophobicContact CG2-CE1 3.83Å; I779-F820 HydrophobicContact CG2-CZ 4.5Å; I779-F820 WeakPolarHBondContact O-CE1 3.46Å; I779-F820 WeakPolarHBondContact O-CZ 3.45Å; I779-Y821 HydrophobicContact CG2-CE1 4.14Å |
| 780 | E | 93.4 | Very high | 90.3 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 35% | 0.346 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.5 | -18.5 | 179 | -65.5 | -169.3 | 167.9 | 0 | 0 | 113.1 | E776 S815 H817 F820 Y821 | E776-E780 WeakPolarHBondContact O-CB 3.44Å; E776-E780 WeakPolarHBondContact O-CG 3.09Å; E776-E780 PolarHBondContact O-N 2.77Å; E780-S815 PolarHBondContact OE1-OG 3.3Å; E780-H817 IonicContact OE1-CD2 3.96Å; E780-F820 HydrophobicContact CG-CE1 4.47Å; E780-Y821 WeakPolarHBondContact CG-OH 3.28Å; E780-Y821 PolarHBondContact OE1-OH 3.49Å |
| 781 | S | 93.6 | Very high | 90.9 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -78 | -16.7 | 172.8 | 78.7 | 0 | 0 | 0 | 0 | 114.6 | L754 E777 V778 I779 | L754-S781 WeakPolarHBondContact CD1-OG 3.48Å; L754-S781 WeakPolarHBondContact CG-OG 3.36Å; E777-S781 WeakPolarHBondContact O-CB 3.39Å; E777-S781 PolarHBondContact O-N 2.9Å; V778-S781 PolarHBondContact O-N 3.32Å; V778-S781 PolarHBondContact O-OG 3.22Å; I779-S781 VanDerWaalsContact C-N 3.26Å; I779-S781 PolarHBondContact O-N 3.33Å |
| 782 | I | 94.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -77.6 | 128.4 | -174.9 | -70.2 | 165 | 0 | 0 | 0 | 110 | H759 L763 V778 I779 Q786 I787 L790 W824 | H759-I782 HydrophobicContact CB-CG1 4.17Å; L763-I782 HydrophobicContact CD1-CD1 4.29Å; L763-I782 HydrophobicContact CD2-CD1 4.24Å; V778-I782 HydrophobicContact CG1-CD1 4.47Å; V778-I782 WeakPolarHBondContact O-CG1 3.42Å; V778-I782 PolarHBondContact O-N 3.46Å; I779-I782 PolarHBondContact O-N 3.16Å; I782-Q786 HydrophobicContact CG2-CB 4.33Å; I782-I787 HydrophobicContact CG2-CG1 4.43Å; I782-L790 HydrophobicContact CD1-CD1 3.77Å; I782-L790 HydrophobicContact CG1-CD1 4.16Å; I782-L790 HydrophobicContact CG2-CD1 3.67Å; I782-W824 HydrophobicContact CB-CZ2 4.23Å; I782-W824 HydrophobicContact CD1-CH2 4.03Å; I782-W824 HydrophobicContact CD1-CZ2 3.76Å; I782-W824 HydrophobicContact CG2-CZ2 3.96Å |
| 783 | P | 94 | Very high | 92 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | trans | -67.1 | 144 | 175.5 | 28.2 | -34.2 | 0 | 0 | 0 | 111.3 | D785 Q786 | P783-D785 PolarHBondContact O-N 2.88Å; P783-D785 VanDerWaalsContact O-N 3.1Å; P783-Q786 HydrophobicContact CG-CB 4.22Å; P783-Q786 HydrophobicContact CG-CG 3.84Å; P783-Q786 PolarHBondContact O-N 3.21Å | ||
| 784 | V | 92.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -54.5 | -36 | -175.4 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | Q786 I787 F820 | V784-Q786 PolarHBondContact O-N 2.94Å; V784-I787 HydrophobicContact CB-CD1 4.39Å; V784-I787 HydrophobicContact CG1-CD1 4.26Å; V784-I787 WeakPolarHBondContact O-CB 3.11Å; V784-I787 WeakPolarHBondContact O-CG1 3.36Å; V784-I787 PolarHBondContact O-N 3.41Å; V784-F820 HydrophobicContact CG2-CD2 4.27Å; V784-F820 HydrophobicContact CG2-CE2 4.28Å |
| 785 | D | 93.3 | Very high | 92.3 | Very high | 154 Ų | 154 | 54 Ų | 54 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.2 | -176.7 | -54.9 | -30.7 | 0 | 0 | 0 | 113.2 | P783 | P783-D785 PolarHBondContact O-N 2.88Å; P783-D785 VanDerWaalsContact O-N 3.1Å |
| 786 | Q | 93.1 | Very high | 92.1 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -94.8 | -10.9 | -177.9 | -65.9 | -178.1 | 11.6 | 0 | 0 | 113.8 | H759 I782 P783 V784 D788 F789 L790 | H759-Q786 PolarHBondContact CD2-OE1 3.25Å; I782-Q786 HydrophobicContact CG2-CB 4.33Å; P783-Q786 HydrophobicContact CG-CB 4.22Å; P783-Q786 HydrophobicContact CG-CG 3.84Å; P783-Q786 PolarHBondContact O-N 3.21Å; V784-Q786 PolarHBondContact O-N 2.94Å; Q786-D788 VanDerWaalsContact C-N 3.29Å; Q786-D788 PolarHBondContact O-N 3.07Å; Q786-F789 PolarHBondContact O-N 3.1Å; Q786-F789 VanDerWaalsContact O-N 3.1Å; Q786-L790 HydrophobicContact CB-CD1 4.35Å; Q786-L790 WeakPolarHBondContact O-CG 3.09Å; Q786-L790 PolarHBondContact O-N 3.35Å |
| 787 | I | 94.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.6 | -46.7 | -176.2 | -64.9 | 175.6 | 0 | 0 | 0 | 110.9 | I782 V784 F789 L790 A791 F820 W824 | I782-I787 HydrophobicContact CG2-CG1 4.43Å; V784-I787 HydrophobicContact CB-CD1 4.39Å; V784-I787 HydrophobicContact CG1-CD1 4.26Å; V784-I787 WeakPolarHBondContact O-CB 3.11Å; V784-I787 WeakPolarHBondContact O-CG1 3.36Å; V784-I787 PolarHBondContact O-N 3.41Å; I787-F789 VanDerWaalsContact C-N 3.27Å; I787-F789 PolarHBondContact O-N 2.86Å; I787-L790 PolarHBondContact O-N 3.02Å; I787-A791 VanDerWaalsContact O-CB 3.27Å; I787-A791 WeakPolarHBondContact O-CB 3.22Å; I787-A791 PolarHBondContact O-N 2.88Å; I787-F820 HydrophobicContact CD1-CD2 4.26Å; I787-F820 HydrophobicContact CD1-CE2 3.83Å; I787-F820 HydrophobicContact CD1-CZ 4.45Å; I787-W824 HydrophobicContact CB-CZ2 4.48Å; I787-W824 HydrophobicContact CD1-CG 4.44Å; I787-W824 HydrophobicContact CG1-CD2 4.36Å; I787-W824 HydrophobicContact CG1-CZ2 3.96Å; I787-W824 HydrophobicContact CG2-CD2 3.65Å; I787-W824 HydrophobicContact CG2-CE3 3.82Å; I787-W824 HydrophobicContact CG2-CG 4.02Å; I787-W824 HydrophobicContact CG2-CH2 4.49Å; I787-W824 HydrophobicContact CG2-CZ2 4.34Å; I787-W824 HydrophobicContact CG2-CZ3 4.24Å |
| 788 | D | 93.6 | Very high | 91.1 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -28.8 | -177.7 | -86.1 | -0.8 | 0 | 0 | 0 | 114.4 | Q786 R792 S827 | Q786-D788 VanDerWaalsContact C-N 3.29Å; Q786-D788 PolarHBondContact O-N 3.07Å; D788-R792 WeakPolarHBondContact O-CG 3.46Å; D788-R792 PolarHBondContact O-NE 2.75Å; D788-S827 VanDerWaalsContact CA-OG 3.31Å; D788-S827 WeakPolarHBondContact CA-OG 3.38Å; D788-S827 VanDerWaalsContact OD1-CB 3.29Å; D788-S827 WeakPolarHBondContact OD1-CB 3.32Å; D788-S827 PolarHBondContact OD1-OG 2.95Å |
| 789 | F | 93.6 | Very high | 90.6 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -78.3 | -49 | 176.7 | 176.8 | -101.1 | 0 | 0 | 0 | 110.6 | Q786 I787 A791 R792 Q793 | Q786-F789 PolarHBondContact O-N 3.1Å; Q786-F789 VanDerWaalsContact O-N 3.1Å; I787-F789 VanDerWaalsContact C-N 3.27Å; I787-F789 PolarHBondContact O-N 2.86Å; F789-A791 PolarHBondContact O-N 3.17Å; F789-R792 PolarHBondContact O-N 2.89Å; F789-Q793 HydrophobicContact CE1-CG 4.34Å; F789-Q793 VanDerWaalsContact CZ-CD 3.41Å; F789-Q793 HydrophobicContact CZ-CG 4.35Å; F789-Q793 PolarHBondContact O-N 2.73Å |
| 790 | L | 94 | Very high | 89.9 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | -178.8 | -66.1 | 175.1 | 0 | 0 | 0 | 111.9 | H759 A760 L763 I782 Q786 I787 R792 Q793 L794 W824 | H759-L790 HydrophobicContact CB-CD1 4.01Å; A760-L790 HydrophobicContact CB-CD2 3.62Å; L763-L790 HydrophobicContact CD2-CB 4.31Å; I782-L790 HydrophobicContact CD1-CD1 3.77Å; I782-L790 HydrophobicContact CG1-CD1 4.16Å; I782-L790 HydrophobicContact CG2-CD1 3.67Å; Q786-L790 HydrophobicContact CB-CD1 4.35Å; Q786-L790 WeakPolarHBondContact O-CG 3.09Å; Q786-L790 PolarHBondContact O-N 3.35Å; I787-L790 PolarHBondContact O-N 3.02Å; L790-R792 PolarHBondContact O-N 3.43Å; L790-Q793 PolarHBondContact O-N 3.31Å; L790-Q793 VanDerWaalsContact O-N 3.11Å; L790-L794 WeakPolarHBondContact O-CG 3.19Å; L790-L794 PolarHBondContact O-N 3.05Å; L790-W824 HydrophobicContact CB-CH2 4.17Å; L790-W824 HydrophobicContact CD1-CH2 4.43Å |
| 791 | A | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I787 F789 S827 V828 H832 | I787-A791 VanDerWaalsContact O-CB 3.27Å; I787-A791 WeakPolarHBondContact O-CB 3.22Å; I787-A791 PolarHBondContact O-N 2.88Å; F789-A791 PolarHBondContact O-N 3.17Å; A791-S827 WeakPolarHBondContact CB-OG 3.33Å; A791-V828 HydrophobicContact CB-CG2 4.05Å; A791-H832 PolarHBondContact O-NE2 2.71Å |
| 792 | R | 91.9 | Very high | 88.3 | Confident | 170 Ų | 170 | 51.2 Ų | 51.2 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -74.7 | -31.7 | 177.1 | -72.2 | 179.4 | -126.9 | 177.2 | -2.2 | 113.6 | D788 F789 L790 | D788-R792 WeakPolarHBondContact O-CG 3.46Å; D788-R792 PolarHBondContact O-NE 2.75Å; F789-R792 PolarHBondContact O-N 2.89Å; L790-R792 PolarHBondContact O-N 3.43Å |
| 793 | Q | 90.8 | Very high | 87.9 | Confident | 109 Ų | 109 | 51 Ų | 51 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.2 | -22.3 | -176.9 | -72.7 | -168.3 | -35 | 0 | 0 | 113.6 | F789 L790 | F789-Q793 HydrophobicContact CE1-CG 4.34Å; F789-Q793 VanDerWaalsContact CZ-CD 3.41Å; F789-Q793 HydrophobicContact CZ-CG 4.35Å; F789-Q793 PolarHBondContact O-N 2.73Å; L790-Q793 PolarHBondContact O-N 3.31Å; L790-Q793 VanDerWaalsContact O-N 3.11Å |
| 794 | L | 88.4 | Confident | 87.6 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -65.8 | 134.6 | -176.9 | -73.6 | 170 | 0 | 0 | 0 | 112.4 | L763 I767 L790 V799 L803 H832 | L763-L794 HydrophobicContact CD2-CD1 3.95Å; L763-L794 HydrophobicContact CD2-CD2 4.15Å; L763-L794 HydrophobicContact CD2-CG 4.37Å; L763-L794 HydrophobicContact CG-CD2 4.35Å; I767-L794 HydrophobicContact CD1-CD1 4.25Å; I767-L794 HydrophobicContact CD1-CD2 3.92Å; L790-L794 WeakPolarHBondContact O-CG 3.19Å; L790-L794 PolarHBondContact O-N 3.05Å; L794-V799 HydrophobicContact CB-CG2 3.78Å; L794-L803 HydrophobicContact CD1-CD2 3.7Å; L794-H832 PolarHBondContact O-CE1 2.95Å |
| 795 | P | 86.9 | Confident | 86.9 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | trans | -59.5 | 138.5 | 172.8 | -22.7 | 32.5 | 0 | 0 | 0 | 112.2 | N797 Q798 V799 | P795-N797 PolarHBondContact O-N 3.45Å; P795-N797 VanDerWaalsContact O-N 3.16Å; P795-Q798 HydrophobicContact CB-CG 4.45Å; P795-Q798 PolarHBondContact O-N 3Å; P795-Q798 VanDerWaalsContact O-N 3.09Å; P795-V799 PolarHBondContact O-N 2.86Å; P795-V799 VanDerWaalsContact O-N 3.16Å | ||
| 796 | I | 84.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -33.3 | -177.2 | -166.2 | 159.6 | 0 | 0 | 0 | 113.2 | Q798 V799 A800 N835 L836 I839 | I796-Q798 PolarHBondContact O-N 2.88Å; I796-V799 PolarHBondContact O-N 3.17Å; I796-A800 VanDerWaalsContact O-CB 3.32Å; I796-A800 WeakPolarHBondContact O-CB 3.21Å; I796-A800 PolarHBondContact O-N 2.87Å; I796-N835 HydrophobicContact CD1-CB 3.35Å; I796-L836 HydrophobicContact CD1-CD2 4.2Å; I796-L836 HydrophobicContact CD1-CG 4.49Å; I796-L836 HydrophobicContact CG1-CD2 4.22Å; I796-I839 HydrophobicContact CD1-CD1 3.72Å; I796-I839 HydrophobicContact CG1-CD1 4.5Å |
| 797 | N | 78.5 | Confident | 86.3 | Confident | 51 Ų | 51 | 35.2 Ų | 35.2 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 178.3 | -66.4 | -2.4 | 0 | 0 | 0 | 111.5 | P795 V799 H801 | P795-N797 PolarHBondContact O-N 3.45Å; P795-N797 VanDerWaalsContact O-N 3.16Å; N797-V799 VanDerWaalsContact C-N 3.35Å; N797-H801 WeakPolarHBondContact O-CB 3.42Å; N797-H801 PolarHBondContact O-N 3.26Å |
| 798 | Q | 81.7 | Confident | 85.8 | Confident | 28 Ų | 28 | 35 Ų | 35 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 177.2 | -70.1 | -177.8 | 0.4 | 0 | 0 | 111.7 | D764 I767 P795 I796 Y802 L803 | D764-Q798 PolarHBondContact OD1-NE2 3.03Å; D764-Q798 PolarHBondContact OD1-OE1 2.9Å; I767-Q798 HydrophobicContact CG2-CB 3.91Å; I767-Q798 HydrophobicContact CG2-CG 4.18Å; P795-Q798 HydrophobicContact CB-CG 4.45Å; P795-Q798 PolarHBondContact O-N 3Å; P795-Q798 VanDerWaalsContact O-N 3.09Å; I796-Q798 PolarHBondContact O-N 2.88Å; Q798-Y802 PolarHBondContact O-N 2.81Å; Q798-Y802 VanDerWaalsContact O-N 3.14Å; Q798-L803 PolarHBondContact O-N 2.9Å |
| 799 | V | 83.5 | Confident | 85 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -63.3 | -51.1 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L794 P795 I796 N797 L803 I804 V828 | L794-V799 HydrophobicContact CB-CG2 3.78Å; P795-V799 PolarHBondContact O-N 2.86Å; P795-V799 VanDerWaalsContact O-N 3.16Å; I796-V799 PolarHBondContact O-N 3.17Å; N797-V799 VanDerWaalsContact C-N 3.35Å; V799-L803 HydrophobicContact CG2-CD2 4.28Å; V799-L803 PolarHBondContact O-N 2.82Å; V799-I804 HydrophobicContact CG1-CD1 4.22Å; V799-I804 HydrophobicContact CG1-CG1 4.19Å; V799-I804 WeakPolarHBondContact O-CG1 3.43Å; V799-I804 PolarHBondContact O-N 2.84Å; V799-I804 VanDerWaalsContact O-N 3.14Å; V799-V828 HydrophobicContact CG1-CG1 3.5Å |
| 800 | A | 78.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -67.5 | -42.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I796 L836 L875 C884 | I796-A800 VanDerWaalsContact O-CB 3.32Å; I796-A800 WeakPolarHBondContact O-CB 3.21Å; I796-A800 PolarHBondContact O-N 2.87Å; A800-L836 HydrophobicContact CB-CD2 4.16Å; A800-L875 HydrophobicContact CB-CD1 3.8Å; A800-L875 HydrophobicContact CB-CD2 4.11Å; A800-C884 HydrophobicContact CB-CB 4.18Å |
| 801 | H | 73.9 | Confident | 84 | Confident | 64 Ų | 64 | 27.5 Ų | 27.5 | 30% | 0.296 | 13% | 0.13 | S | C | . | . | I | π-helix | trans | -76.6 | -39.7 | -173.6 | -166.5 | 109.4 | 0 | 0 | 0 | 112.9 | N797 | N797-H801 WeakPolarHBondContact O-CB 3.42Å; N797-H801 PolarHBondContact O-N 3.26Å |
| 802 | Y | 79.7 | Confident | 83 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -129.1 | -47.6 | -168.9 | -170.7 | -97.7 | 0 | 0 | 0 | 114.4 | I767 Q770 V775 Q798 I804 A805 F806 | I767-Y802 HydrophobicContact CG2-CD1 4.15Å; Q770-Y802 HydrophobicContact CB-CD2 4.14Å; Q770-Y802 HydrophobicContact CB-CE2 3.79Å; Q770-Y802 HydrophobicContact CG-CD2 3.83Å; Q770-Y802 HydrophobicContact CG-CE2 4Å; Q770-Y802 HydrophobicContact CG-CG 4.18Å; V775-Y802 HydrophobicContact CB-CE1 4.44Å; V775-Y802 HydrophobicContact CG1-CE1 4.17Å; V775-Y802 HydrophobicContact CG2-CE1 3.91Å; Q798-Y802 PolarHBondContact O-N 2.81Å; Q798-Y802 VanDerWaalsContact O-N 3.14Å; Y802-I804 PolarHBondContact O-N 2.87Å; Y802-A805 PolarHBondContact O-N 3.04Å; Y802-F806 HydrophobicContact CD1-CB 4.43Å; Y802-F806 HydrophobicContact CE1-CB 4.15Å; Y802-F806 HydrophobicContact CE1-CD2 4.29Å; Y802-F806 HydrophobicContact CE1-CG 4.45Å; Y802-F806 WeakPolarHBondContact O-CB 3.28Å; Y802-F806 PolarHBondContact O-N 2.78Å |
| 803 | L | 86.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -63.5 | -44.3 | -170.4 | -172.7 | 64.7 | 0 | 0 | 0 | 112.9 | I767 I779 L794 Q798 V799 A805 F806 L807 V828 | I767-L803 HydrophobicContact CD1-CD1 4.45Å; I779-L803 HydrophobicContact CD1-CD1 4.06Å; L794-L803 HydrophobicContact CD1-CD2 3.7Å; Q798-L803 PolarHBondContact O-N 2.9Å; V799-L803 HydrophobicContact CG2-CD2 4.28Å; V799-L803 PolarHBondContact O-N 2.82Å; L803-A805 VanDerWaalsContact C-N 3.32Å; L803-A805 PolarHBondContact O-N 2.93Å; L803-F806 PolarHBondContact O-N 3.24Å; L803-L807 HydrophobicContact CD1-CG 4.38Å; L803-L807 HydrophobicContact CG-CD1 4.12Å; L803-L807 HydrophobicContact CG-CG 4.38Å; L803-L807 WeakPolarHBondContact O-CG 3.05Å; L803-L807 PolarHBondContact O-N 3.06Å; L803-V828 HydrophobicContact CD2-CG1 4.3Å; L803-V828 HydrophobicContact CD2-CG2 3.65Å |
| 804 | I | 87 | Confident | 80.9 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 178.1 | -68 | 171.9 | 0 | 0 | 0 | 110.5 | V799 Y802 F806 L807 A808 L836 S887 L888 L891 | V799-I804 HydrophobicContact CG1-CD1 4.22Å; V799-I804 HydrophobicContact CG1-CG1 4.19Å; V799-I804 WeakPolarHBondContact O-CG1 3.43Å; V799-I804 PolarHBondContact O-N 2.84Å; V799-I804 VanDerWaalsContact O-N 3.14Å; Y802-I804 PolarHBondContact O-N 2.87Å; I804-F806 VanDerWaalsContact C-N 3.35Å; I804-F806 PolarHBondContact O-N 3.34Å; I804-L807 PolarHBondContact O-N 3.08Å; I804-A808 WeakPolarHBondContact O-CB 3.44Å; I804-A808 PolarHBondContact O-N 2.92Å; I804-L836 HydrophobicContact CD1-CD1 4.03Å; I804-S887 WeakPolarHBondContact CG2-OG 3.36Å; I804-L888 HydrophobicContact CD1-CD2 4.16Å; I804-L888 HydrophobicContact CG2-CD2 4.13Å; I804-L888 HydrophobicContact CG2-CG 4.43Å; I804-L891 HydrophobicContact CG2-CB 4.43Å; I804-L891 HydrophobicContact CG2-CD1 3.98Å |
| 805 | A | 79.3 | Confident | 80.4 | Confident | 8 Ų | 8 | 23.4 Ų | 23.4 | 7% | 0.066 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y802 L803 R809 | Y802-A805 PolarHBondContact O-N 3.04Å; L803-A805 VanDerWaalsContact C-N 3.32Å; L803-A805 PolarHBondContact O-N 2.93Å; A805-R809 VanDerWaalsContact O-CG 3.31Å; A805-R809 WeakPolarHBondContact O-CG 3.49Å; A805-R809 PolarHBondContact O-N 2.83Å; A805-R809 VanDerWaalsContact O-N 3.1Å |
| 806 | F | 83.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 175.6 | 177.3 | -90.9 | 0 | 0 | 0 | 111.7 | H772 V775 E776 I779 Y802 L803 I804 A808 R809 Q810 Y821 | H772-F806 AromaticContact CE1-CD2 3.76Å; H772-F806 AromaticContact CE1-CE2 3.36Å; H772-F806 WeakPolarHBondContact CE1-CE2 3.41Å; H772-F806 AromaticContact ND1-CD2 3.61Å; H772-F806 AromaticContact ND1-CE2 3.49Å; H772-F806 WeakPolarHBondContact ND1-CE2 3.09Å; H772-F806 AromaticContact NE2-CE2 4Å; V775-F806 HydrophobicContact CB-CD2 4.37Å; V775-F806 HydrophobicContact CB-CE2 3.96Å; V775-F806 HydrophobicContact CB-CZ 4.32Å; V775-F806 HydrophobicContact CG1-CD1 4.15Å; V775-F806 HydrophobicContact CG1-CD2 3.85Å; V775-F806 HydrophobicContact CG1-CE1 3.98Å; V775-F806 HydrophobicContact CG1-CE2 3.63Å; V775-F806 HydrophobicContact CG1-CG 4.1Å; V775-F806 HydrophobicContact CG1-CZ 3.71Å; E776-F806 HydrophobicContact CB-CE2 4.45Å; E776-F806 HydrophobicContact CB-CZ 4.09Å; I779-F806 HydrophobicContact CD1-CD1 3.8Å; I779-F806 HydrophobicContact CD1-CE1 3.45Å; I779-F806 VanDerWaalsContact CD1-CE1 3.45Å; I779-F806 HydrophobicContact CD1-CZ 4.22Å; Y802-F806 HydrophobicContact CD1-CB 4.43Å; Y802-F806 HydrophobicContact CE1-CB 4.15Å; Y802-F806 HydrophobicContact CE1-CD2 4.29Å; Y802-F806 HydrophobicContact CE1-CG 4.45Å; Y802-F806 WeakPolarHBondContact O-CB 3.28Å; Y802-F806 PolarHBondContact O-N 2.78Å; L803-F806 PolarHBondContact O-N 3.24Å; I804-F806 VanDerWaalsContact C-N 3.35Å; I804-F806 PolarHBondContact O-N 3.34Å; F806-A808 VanDerWaalsContact C-N 3.32Å; F806-A808 PolarHBondContact O-N 2.91Å; F806-R809 PolarHBondContact O-N 3.28Å; F806-R809 VanDerWaalsContact O-N 3.15Å; F806-Q810 HydrophobicContact CD1-CG 4.24Å; F806-Q810 HydrophobicContact CE1-CG 3.74Å; F806-Q810 HydrophobicContact CE2-CG 4.4Å; F806-Q810 HydrophobicContact CZ-CG 3.84Å; F806-Q810 WeakPolarHBondContact O-CG 3.26Å; F806-Q810 PolarHBondContact O-N 3.21Å; F806-Y821 HydrophobicContact CE1-CE1 4.11Å |
| 807 | L | 89 | Confident | 80.6 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 178.9 | -68 | 174.7 | 0 | 0 | 0 | 111.9 | L803 I804 R809 Q810 L811 Y821 W824 T825 V828 | L803-L807 HydrophobicContact CD1-CG 4.38Å; L803-L807 HydrophobicContact CG-CD1 4.12Å; L803-L807 HydrophobicContact CG-CG 4.38Å; L803-L807 WeakPolarHBondContact O-CG 3.05Å; L803-L807 PolarHBondContact O-N 3.06Å; I804-L807 PolarHBondContact O-N 3.08Å; L807-R809 VanDerWaalsContact C-N 3.32Å; L807-R809 PolarHBondContact O-N 3.12Å; L807-Q810 PolarHBondContact O-N 2.87Å; L807-L811 WeakPolarHBondContact O-CG 3.24Å; L807-L811 PolarHBondContact O-N 2.92Å; L807-Y821 HydrophobicContact CD2-CD1 3.84Å; L807-W824 HydrophobicContact CD1-CB 4.34Å; L807-W824 HydrophobicContact CD2-CB 3.75Å; L807-W824 HydrophobicContact CD2-CG 4.39Å; L807-T825 HydrophobicContact CB-CG2 3.71Å; L807-T825 HydrophobicContact CD1-CG2 3.8Å; L807-T825 HydrophobicContact CG-CG2 4.23Å; L807-V828 HydrophobicContact CD1-CG2 4.2Å |
| 808 | A | 83.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I804 F806 S812 R890 L891 | I804-A808 WeakPolarHBondContact O-CB 3.44Å; I804-A808 PolarHBondContact O-N 2.92Å; F806-A808 VanDerWaalsContact C-N 3.32Å; F806-A808 PolarHBondContact O-N 2.91Å; A808-S812 WeakPolarHBondContact O-CB 3.45Å; A808-S812 PolarHBondContact O-N 2.78Å; A808-S812 VanDerWaalsContact O-N 3.15Å; A808-R890 HydrophobicContact CB-CB 4.19Å; A808-R890 HydrophobicContact CB-CG 3.87Å; A808-L891 HydrophobicContact CB-CB 3.95Å |
| 809 | R | 77.5 | Confident | 81.5 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.6 | -73.6 | 174.9 | -170.9 | 126.7 | 4.3 | 112.1 | D696 S713 A714 A805 F806 L807 S812 | D696-R809 IonicContact OD2-CZ 3.21Å; D696-R809 IonicContact OD2-NE 2.76Å; D696-R809 IonicContact OD2-NH2 3.71Å; D696-R809 PolarHBondContact OD2-NH2 3.32Å; S713-R809 PolarHBondContact O-NE 3.42Å; S713-R809 PolarHBondContact O-NH1 2.86Å; S713-R809 PolarHBondContact O-NH2 3.2Å; A714-R809 WeakPolarHBondContact O-CD 3.43Å; A714-R809 PolarHBondContact O-NE 3.25Å; A805-R809 VanDerWaalsContact O-CG 3.31Å; A805-R809 WeakPolarHBondContact O-CG 3.49Å; A805-R809 PolarHBondContact O-N 2.83Å; A805-R809 VanDerWaalsContact O-N 3.1Å; F806-R809 PolarHBondContact O-N 3.28Å; F806-R809 VanDerWaalsContact O-N 3.15Å; L807-R809 VanDerWaalsContact C-N 3.32Å; L807-R809 PolarHBondContact O-N 3.12Å; R809-S812 WeakPolarHBondContact O-CB 3.4Å; R809-S812 PolarHBondContact O-N 2.85Å |
| 810 | Q | 83.3 | Confident | 82 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -66.4 | -42.4 | 178.8 | -66.5 | -65 | 1.1 | 0 | 0 | 112 | H772 E776 F806 L807 S812 G813 R814 S815 Y821 | H772-Q810 PolarHBondContact CE1-NE2 2.82Å; H772-Q810 PolarHBondContact NE2-NE2 3.15Å; H772-Q810 VanDerWaalsContact NE2-NE2 3.13Å; E776-Q810 PolarHBondContact OE2-NE2 3.5Å; F806-Q810 HydrophobicContact CD1-CG 4.24Å; F806-Q810 HydrophobicContact CE1-CG 3.74Å; F806-Q810 HydrophobicContact CE2-CG 4.4Å; F806-Q810 HydrophobicContact CZ-CG 3.84Å; F806-Q810 WeakPolarHBondContact O-CG 3.26Å; F806-Q810 PolarHBondContact O-N 3.21Å; L807-Q810 PolarHBondContact O-N 2.87Å; Q810-S812 PolarHBondContact O-N 3.43Å; Q810-G813 PolarHBondContact O-N 2.88Å; Q810-R814 PolarHBondContact O-N 3.07Å; Q810-S815 PolarHBondContact O-N 2.83Å; Q810-Y821 HydrophobicContact CB-CD1 3.68Å; Q810-Y821 HydrophobicContact CB-CD2 4.06Å; Q810-Y821 HydrophobicContact CB-CE1 3.61Å; Q810-Y821 HydrophobicContact CB-CE2 4.05Å; Q810-Y821 HydrophobicContact CB-CG 3.9Å; Q810-Y821 HydrophobicContact CG-CD1 4.09Å; Q810-Y821 HydrophobicContact CG-CE1 3.54Å; Q810-Y821 HydrophobicContact CG-CE2 4.42Å |
| 811 | L | 84.1 | Confident | 82.7 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -68 | -19.7 | 175.7 | -71.4 | 171.2 | 0 | 0 | 0 | 113.8 | L807 G813 V822 T825 L895 | L807-L811 WeakPolarHBondContact O-CG 3.24Å; L807-L811 PolarHBondContact O-N 2.92Å; L811-G813 PolarHBondContact O-N 3.22Å; L811-V822 HydrophobicContact CD2-CG2 3.81Å; L811-T825 HydrophobicContact CD1-CG2 3.64Å; L811-L895 HydrophobicContact CD1-CD2 3.83Å; L811-L895 HydrophobicContact CD1-CG 4.36Å |
| 812 | S | 69.6 | Low | 83.6 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -73.6 | 4.4 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 114.2 | A808 R809 Q810 | A808-S812 WeakPolarHBondContact O-CB 3.45Å; A808-S812 PolarHBondContact O-N 2.78Å; A808-S812 VanDerWaalsContact O-N 3.15Å; R809-S812 WeakPolarHBondContact O-CB 3.4Å; R809-S812 PolarHBondContact O-N 2.85Å; Q810-S812 PolarHBondContact O-N 3.43Å |
| 813 | G | 68.4 | Low | 84.3 | Confident | 65 Ų | 65 | 43.6 Ų | 43.6 | 67% | 0.67 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | 111.5 | 8.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q810 L811 | Q810-G813 PolarHBondContact O-N 2.88Å; L811-G813 PolarHBondContact O-N 3.22Å |
| 814 | R | 70 | Confident | 84.7 | Confident | 72 Ų | 72 | 43.6 Ų | 43.6 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -74 | -43.7 | 173.8 | -174.1 | 178.8 | -178.9 | 103.1 | 0.6 | 111.6 | H772 E776 Q810 | H772-R814 PolarHBondContact NE2-NE 3.16Å; E776-R814 IonicContact OE2-NE 2.85Å; E776-R814 PolarHBondContact OE2-NE 2.84Å; Q810-R814 PolarHBondContact O-N 3.07Å |
| 815 | S | 79.5 | Confident | 85 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | trans | -103.3 | 145.6 | 179.2 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | E780 Q810 H817 Y821 | E780-S815 PolarHBondContact OE1-OG 3.3Å; Q810-S815 PolarHBondContact O-N 2.83Å; S815-H817 VanDerWaalsContact C-N 3.28Å; S815-H817 PolarHBondContact OG-CD2 3Å; S815-H817 PolarHBondContact OG-N 2.71Å; S815-H817 VanDerWaalsContact OG-N 3.16Å; S815-Y821 VanDerWaalsContact OG-CE2 3.3Å; S815-Y821 WeakPolarHBondContact OG-CE2 3.06Å | ||
| 816 | R | 86.1 | Confident | 85.7 | Confident | 211 Ų | 211 | 48.8 Ų | 48.8 | 80% | 0.796 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -75.3 | -15.8 | 169.8 | 63 | -177.1 | 178.1 | 165 | -2.5 | 112.9 | V818 | R816-V818 VanDerWaalsContact C-N 3.25Å; R816-V818 PolarHBondContact O-N 2.84Å |
| 817 | H | 89.2 | Confident | 86.2 | Confident | 69 Ų | 69 | 49 Ų | 49 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | trans | -85.1 | 53.8 | -171.4 | -61.5 | -65.1 | 0 | 0 | 0 | 112.8 | E780 S815 E819 F820 Y821 | E780-H817 IonicContact OE1-CD2 3.96Å; S815-H817 VanDerWaalsContact C-N 3.28Å; S815-H817 PolarHBondContact OG-CD2 3Å; S815-H817 PolarHBondContact OG-N 2.71Å; S815-H817 VanDerWaalsContact OG-N 3.16Å; H817-E819 PolarHBondContact O-N 3.47Å; H817-F820 HydrophobicContact CB-CB 3.99Å; H817-F820 WeakPolarHBondContact O-CB 3.34Å; H817-F820 PolarHBondContact O-N 3.06Å; H817-F820 VanDerWaalsContact O-N 3.1Å; H817-Y821 HydrophobicContact CB-CD2 4.21Å; H817-Y821 HydrophobicContact CB-CE2 4.06Å; H817-Y821 VanDerWaalsContact O-CD2 3.25Å; H817-Y821 WeakPolarHBondContact O-CD2 3.42Å; H817-Y821 PolarHBondContact O-N 2.62Å | ||
| 818 | V | 88.3 | Confident | 86.4 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.4 | -48.7 | -172 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | R816 F820 Y821 V822 V898 | R816-V818 VanDerWaalsContact C-N 3.25Å; R816-V818 PolarHBondContact O-N 2.84Å; V818-F820 VanDerWaalsContact C-N 3.31Å; V818-F820 PolarHBondContact O-N 3.44Å; V818-Y821 PolarHBondContact O-N 3.19Å; V818-V822 HydrophobicContact CG1-CG2 4.3Å; V818-V822 VanDerWaalsContact O-CG2 3.27Å; V818-V822 WeakPolarHBondContact O-CG2 3.41Å; V818-V822 PolarHBondContact O-N 3.37Å; V818-V898 HydrophobicContact CG1-CG1 3.6Å; V818-V898 HydrophobicContact CG1-CG2 4.18Å |
| 819 | E | 91.4 | Very high | 86.7 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 59% | 0.593 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 179.9 | -175.3 | -177.5 | -176.9 | 0 | 0 | 112.4 | H817 V822 R823 | H817-E819 PolarHBondContact O-N 3.47Å; E819-V822 PolarHBondContact O-N 3.46Å; E819-R823 WeakPolarHBondContact O-CG 3.4Å; E819-R823 PolarHBondContact O-N 2.66Å; E819-R823 IonicContact OE1-CZ 3.2Å; E819-R823 VanDerWaalsContact OE1-CZ 3.23Å; E819-R823 IonicContact OE1-NE 3.97Å; E819-R823 IonicContact OE1-NH2 3.08Å; E819-R823 PolarHBondContact OE1-NH2 2.97Å |
| 820 | F | 93.8 | Very high | 87.5 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | -178.8 | -177.6 | -106.9 | 0 | 0 | 0 | 111.5 | I779 E780 V784 I787 H817 V818 R823 W824 | I779-F820 HydrophobicContact CG2-CE1 3.83Å; I779-F820 HydrophobicContact CG2-CZ 4.5Å; I779-F820 WeakPolarHBondContact O-CE1 3.46Å; I779-F820 WeakPolarHBondContact O-CZ 3.45Å; E780-F820 HydrophobicContact CG-CE1 4.47Å; V784-F820 HydrophobicContact CG2-CD2 4.27Å; V784-F820 HydrophobicContact CG2-CE2 4.28Å; I787-F820 HydrophobicContact CD1-CD2 4.26Å; I787-F820 HydrophobicContact CD1-CE2 3.83Å; I787-F820 HydrophobicContact CD1-CZ 4.45Å; H817-F820 HydrophobicContact CB-CB 3.99Å; H817-F820 WeakPolarHBondContact O-CB 3.34Å; H817-F820 PolarHBondContact O-N 3.06Å; H817-F820 VanDerWaalsContact O-N 3.1Å; V818-F820 VanDerWaalsContact C-N 3.31Å; V818-F820 PolarHBondContact O-N 3.44Å; F820-R823 PolarHBondContact O-N 2.93Å; F820-W824 AromaticContact CD1-CD1 3.96Å; F820-W824 AromaticContact CE1-CD1 3.65Å; F820-W824 AromaticContact CE1-NE1 3.46Å; F820-W824 AromaticContact CE2-NE1 3.92Å; F820-W824 AromaticContact CZ-CD1 3.82Å; F820-W824 AromaticContact CZ-NE1 3.28Å; F820-W824 VanDerWaalsContact CZ-NE1 3.28Å; F820-W824 PolarHBondContact O-N 3.43Å; F820-W824 VanDerWaalsContact O-N 3.07Å |
| 821 | Y | 93.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 177.1 | -71.8 | -72 | 0 | 0 | 0 | 112.4 | I779 E780 F806 L807 Q810 S815 H817 V818 R823 W824 T825 | I779-Y821 HydrophobicContact CG2-CE1 4.14Å; E780-Y821 WeakPolarHBondContact CG-OH 3.28Å; E780-Y821 PolarHBondContact OE1-OH 3.49Å; F806-Y821 HydrophobicContact CE1-CE1 4.11Å; L807-Y821 HydrophobicContact CD2-CD1 3.84Å; Q810-Y821 HydrophobicContact CB-CD1 3.68Å; Q810-Y821 HydrophobicContact CB-CD2 4.06Å; Q810-Y821 HydrophobicContact CB-CE1 3.61Å; Q810-Y821 HydrophobicContact CB-CE2 4.05Å; Q810-Y821 HydrophobicContact CB-CG 3.9Å; Q810-Y821 HydrophobicContact CG-CD1 4.09Å; Q810-Y821 HydrophobicContact CG-CE1 3.54Å; Q810-Y821 HydrophobicContact CG-CE2 4.42Å; S815-Y821 VanDerWaalsContact OG-CE2 3.3Å; S815-Y821 WeakPolarHBondContact OG-CE2 3.06Å; H817-Y821 HydrophobicContact CB-CD2 4.21Å; H817-Y821 HydrophobicContact CB-CE2 4.06Å; H817-Y821 VanDerWaalsContact O-CD2 3.25Å; H817-Y821 WeakPolarHBondContact O-CD2 3.42Å; H817-Y821 PolarHBondContact O-N 2.62Å; V818-Y821 PolarHBondContact O-N 3.19Å; Y821-R823 VanDerWaalsContact C-N 3.34Å; Y821-R823 PolarHBondContact O-N 2.6Å; Y821-W824 PolarHBondContact O-N 3.41Å; Y821-T825 WeakPolarHBondContact O-CG2 3.24Å; Y821-T825 PolarHBondContact O-N 3.15Å; Y821-T825 PolarHBondContact O-OG1 3.42Å |
| 822 | V | 92.6 | Very high | 88.1 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L811 V818 E819 W824 T825 H826 L895 | L811-V822 HydrophobicContact CD2-CG2 3.81Å; V818-V822 HydrophobicContact CG1-CG2 4.3Å; V818-V822 VanDerWaalsContact O-CG2 3.27Å; V818-V822 WeakPolarHBondContact O-CG2 3.41Å; V818-V822 PolarHBondContact O-N 3.37Å; E819-V822 PolarHBondContact O-N 3.46Å; V822-W824 PolarHBondContact O-N 3.32Å; V822-T825 WeakPolarHBondContact CA-OG1 3.35Å; V822-T825 PolarHBondContact O-N 3.22Å; V822-T825 PolarHBondContact O-OG1 3Å; V822-H826 WeakPolarHBondContact O-CB 3.33Å; V822-H826 PolarHBondContact O-N 3.33Å; V822-L895 HydrophobicContact CG2-CD2 4.17Å |
| 823 | R | 93.6 | Very high | 89 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.8 | -74.1 | -175.1 | -175.5 | 170.3 | 1 | 112.5 | E819 F820 Y821 H826 S827 | E819-R823 WeakPolarHBondContact O-CG 3.4Å; E819-R823 PolarHBondContact O-N 2.66Å; E819-R823 IonicContact OE1-CZ 3.2Å; E819-R823 VanDerWaalsContact OE1-CZ 3.23Å; E819-R823 IonicContact OE1-NE 3.97Å; E819-R823 IonicContact OE1-NH2 3.08Å; E819-R823 PolarHBondContact OE1-NH2 2.97Å; F820-R823 PolarHBondContact O-N 2.93Å; Y821-R823 VanDerWaalsContact C-N 3.34Å; Y821-R823 PolarHBondContact O-N 2.6Å; R823-H826 PolarHBondContact O-N 2.85Å; R823-S827 WeakPolarHBondContact O-CB 3.29Å; R823-S827 PolarHBondContact O-N 2.83Å |
| 824 | W | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 172.4 | -90.1 | 103.4 | 0 | 0 | 0 | 112.2 | L763 I782 I787 L790 L807 F820 Y821 V822 H826 S827 V828 | L763-W824 HydrophobicContact CD2-CH2 4.04Å; L763-W824 HydrophobicContact CD2-CZ3 4.5Å; I782-W824 HydrophobicContact CB-CZ2 4.23Å; I782-W824 HydrophobicContact CD1-CH2 4.03Å; I782-W824 HydrophobicContact CD1-CZ2 3.76Å; I782-W824 HydrophobicContact CG2-CZ2 3.96Å; I787-W824 HydrophobicContact CB-CZ2 4.48Å; I787-W824 HydrophobicContact CD1-CG 4.44Å; I787-W824 HydrophobicContact CG1-CD2 4.36Å; I787-W824 HydrophobicContact CG1-CZ2 3.96Å; I787-W824 HydrophobicContact CG2-CD2 3.65Å; I787-W824 HydrophobicContact CG2-CE3 3.82Å; I787-W824 HydrophobicContact CG2-CG 4.02Å; I787-W824 HydrophobicContact CG2-CH2 4.49Å; I787-W824 HydrophobicContact CG2-CZ2 4.34Å; I787-W824 HydrophobicContact CG2-CZ3 4.24Å; L790-W824 HydrophobicContact CB-CH2 4.17Å; L790-W824 HydrophobicContact CD1-CH2 4.43Å; L807-W824 HydrophobicContact CD1-CB 4.34Å; L807-W824 HydrophobicContact CD2-CB 3.75Å; L807-W824 HydrophobicContact CD2-CG 4.39Å; F820-W824 AromaticContact CD1-CD1 3.96Å; F820-W824 AromaticContact CE1-CD1 3.65Å; F820-W824 AromaticContact CE1-NE1 3.46Å; F820-W824 AromaticContact CE2-NE1 3.92Å; F820-W824 AromaticContact CZ-CD1 3.82Å; F820-W824 AromaticContact CZ-NE1 3.28Å; F820-W824 VanDerWaalsContact CZ-NE1 3.28Å; F820-W824 PolarHBondContact O-N 3.43Å; F820-W824 VanDerWaalsContact O-N 3.07Å; Y821-W824 PolarHBondContact O-N 3.41Å; V822-W824 PolarHBondContact O-N 3.32Å; W824-H826 VanDerWaalsContact C-N 3.33Å; W824-H826 PolarHBondContact O-N 3.41Å; W824-S827 PolarHBondContact O-N 2.85Å; W824-V828 HydrophobicContact CE3-CG2 4.33Å; W824-V828 WeakPolarHBondContact O-CB 3.29Å; W824-V828 VanDerWaalsContact O-CG2 3.3Å; W824-V828 WeakPolarHBondContact O-CG2 3.45Å; W824-V828 PolarHBondContact O-N 2.91Å |
| 825 | T | 93.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 179 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | L807 L811 Y821 V822 S827 V828 L829 L891 | L807-T825 HydrophobicContact CB-CG2 3.71Å; L807-T825 HydrophobicContact CD1-CG2 3.8Å; L807-T825 HydrophobicContact CG-CG2 4.23Å; L811-T825 HydrophobicContact CD1-CG2 3.64Å; Y821-T825 WeakPolarHBondContact O-CG2 3.24Å; Y821-T825 PolarHBondContact O-N 3.15Å; Y821-T825 PolarHBondContact O-OG1 3.42Å; V822-T825 WeakPolarHBondContact CA-OG1 3.35Å; V822-T825 PolarHBondContact O-N 3.22Å; V822-T825 PolarHBondContact O-OG1 3Å; T825-S827 VanDerWaalsContact C-N 3.34Å; T825-S827 PolarHBondContact O-N 2.86Å; T825-V828 PolarHBondContact O-N 2.93Å; T825-L829 WeakPolarHBondContact O-CB 3.49Å; T825-L829 VanDerWaalsContact O-CG 3.24Å; T825-L829 WeakPolarHBondContact O-CG 3.27Å; T825-L829 PolarHBondContact O-N 3.34Å; T825-L891 HydrophobicContact CG2-CD1 3.86Å |
| 826 | H | 94.2 | Very high | 90.7 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 176.4 | 176.2 | -104.6 | 0 | 0 | 0 | 111.4 | V822 R823 W824 R830 | V822-H826 WeakPolarHBondContact O-CB 3.33Å; V822-H826 PolarHBondContact O-N 3.33Å; R823-H826 PolarHBondContact O-N 2.85Å; W824-H826 VanDerWaalsContact C-N 3.33Å; W824-H826 PolarHBondContact O-N 3.41Å; H826-R830 WeakPolarHBondContact O-CB 3.47Å; H826-R830 PolarHBondContact O-N 3.49Å |
| 827 | S | 94.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | -179.7 | -163.4 | 0 | 0 | 0 | 0 | 113.3 | D788 A791 R823 W824 T825 R830 S831 | D788-S827 VanDerWaalsContact CA-OG 3.31Å; D788-S827 WeakPolarHBondContact CA-OG 3.38Å; D788-S827 VanDerWaalsContact OD1-CB 3.29Å; D788-S827 WeakPolarHBondContact OD1-CB 3.32Å; D788-S827 PolarHBondContact OD1-OG 2.95Å; A791-S827 WeakPolarHBondContact CB-OG 3.33Å; R823-S827 WeakPolarHBondContact O-CB 3.29Å; R823-S827 PolarHBondContact O-N 2.83Å; W824-S827 PolarHBondContact O-N 2.85Å; T825-S827 VanDerWaalsContact C-N 3.34Å; T825-S827 PolarHBondContact O-N 2.86Å; S827-R830 PolarHBondContact O-N 3.17Å; S827-S831 PolarHBondContact O-N 2.96Å; S827-S831 VanDerWaalsContact O-N 3.08Å; S827-S831 PolarHBondContact O-OG 3.01Å |
| 828 | V | 92.8 | Very high | 90 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | A791 V799 L803 L807 W824 T825 S831 H832 | A791-V828 HydrophobicContact CB-CG2 4.05Å; V799-V828 HydrophobicContact CG1-CG1 3.5Å; L803-V828 HydrophobicContact CD2-CG1 4.3Å; L803-V828 HydrophobicContact CD2-CG2 3.65Å; L807-V828 HydrophobicContact CD1-CG2 4.2Å; W824-V828 HydrophobicContact CE3-CG2 4.33Å; W824-V828 WeakPolarHBondContact O-CB 3.29Å; W824-V828 VanDerWaalsContact O-CG2 3.3Å; W824-V828 WeakPolarHBondContact O-CG2 3.45Å; W824-V828 PolarHBondContact O-N 2.91Å; T825-V828 PolarHBondContact O-N 2.93Å; V828-S831 WeakPolarHBondContact CA-OG 3.38Å; V828-S831 PolarHBondContact O-N 2.89Å; V828-S831 PolarHBondContact O-OG 2.85Å; V828-H832 PolarHBondContact O-N 2.6Å |
| 829 | L | 91.4 | Very high | 89.2 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 177.4 | -69.2 | 174.2 | 0 | 0 | 0 | 111.4 | T825 S831 A833 L888 L891 | T825-L829 WeakPolarHBondContact O-CB 3.49Å; T825-L829 VanDerWaalsContact O-CG 3.24Å; T825-L829 WeakPolarHBondContact O-CG 3.27Å; T825-L829 PolarHBondContact O-N 3.34Å; L829-S831 VanDerWaalsContact C-N 3.26Å; L829-S831 PolarHBondContact O-N 2.8Å; L829-A833 WeakPolarHBondContact O-CB 3.32Å; L829-A833 PolarHBondContact O-N 2.8Å; L829-L888 HydrophobicContact CD2-CD2 4.18Å; L829-L891 HydrophobicContact CD1-CD2 4.2Å |
| 830 | R | 93.5 | Very high | 88.1 | Confident | 190 Ų | 190 | 60.9 Ų | 60.9 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 177.8 | -175.5 | 177.8 | -178.6 | 178.2 | 3.3 | 112.6 | H826 S827 | H826-R830 WeakPolarHBondContact O-CB 3.47Å; H826-R830 PolarHBondContact O-N 3.49Å; S827-R830 PolarHBondContact O-N 3.17Å |
| 831 | S | 91.1 | Very high | 86.8 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -82.6 | -41.5 | -179.6 | 47 | 0 | 0 | 0 | 0 | 113.3 | S827 V828 L829 | S827-S831 PolarHBondContact O-N 2.96Å; S827-S831 VanDerWaalsContact O-N 3.08Å; S827-S831 PolarHBondContact O-OG 3.01Å; V828-S831 WeakPolarHBondContact CA-OG 3.38Å; V828-S831 PolarHBondContact O-N 2.89Å; V828-S831 PolarHBondContact O-OG 2.85Å; L829-S831 VanDerWaalsContact C-N 3.26Å; L829-S831 PolarHBondContact O-N 2.8Å |
| 832 | H | 89.9 | Confident | 85.5 | Confident | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.06 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -110.4 | -10.8 | -168.8 | -64.9 | -74.3 | 0 | 0 | 0 | 116 | A791 L794 V828 L834 N835 L836 | A791-H832 PolarHBondContact O-NE2 2.71Å; L794-H832 PolarHBondContact O-CE1 2.95Å; V828-H832 PolarHBondContact O-N 2.6Å; H832-L834 PolarHBondContact O-N 2.93Å; H832-N835 PolarHBondContact O-N 2.87Å; H832-N835 VanDerWaalsContact O-N 3.09Å; H832-L836 PolarHBondContact O-N 2.88Å |
| 833 | A | 86.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 65 Ų | 65 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L829 N835 L836 R837 | L829-A833 WeakPolarHBondContact O-CB 3.32Å; L829-A833 PolarHBondContact O-N 2.8Å; A833-N835 VanDerWaalsContact C-N 3.32Å; A833-N835 PolarHBondContact O-N 2.82Å; A833-L836 PolarHBondContact O-N 3.05Å; A833-R837 WeakPolarHBondContact O-CB 3.46Å; A833-R837 PolarHBondContact O-N 2.53Å |
| 834 | L | 87.8 | Confident | 82.2 | Confident | 126 Ų | 126 | 62.6 Ų | 62.6 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 176.8 | -77 | 167.7 | 0 | 0 | 0 | 111.7 | H832 R837 R838 | H832-L834 PolarHBondContact O-N 2.93Å; L834-R837 PolarHBondContact O-N 2.66Å; L834-R838 WeakPolarHBondContact O-CG 3.43Å; L834-R838 PolarHBondContact O-N 3.12Å |
| 835 | N | 84.5 | Confident | 80.3 | Confident | 70 Ų | 70 | 68 Ų | 68 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | 177.7 | -66.5 | -22.2 | 0 | 0 | 0 | 110.6 | I796 H832 A833 R837 R838 I839 | I796-N835 HydrophobicContact CD1-CB 3.35Å; H832-N835 PolarHBondContact O-N 2.87Å; H832-N835 VanDerWaalsContact O-N 3.09Å; A833-N835 VanDerWaalsContact C-N 3.32Å; A833-N835 PolarHBondContact O-N 2.82Å; N835-R837 VanDerWaalsContact C-N 3.3Å; N835-R837 PolarHBondContact O-N 3.09Å; N835-R838 PolarHBondContact O-N 2.81Å; N835-I839 VanDerWaalsContact O-CG1 3.27Å; N835-I839 WeakPolarHBondContact O-CG1 3.48Å; N835-I839 PolarHBondContact O-N 2.89Å |
| 836 | L | 81.8 | Confident | 78.2 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58 | -41 | 175.3 | -68.5 | 175.1 | 0 | 0 | 0 | 112.2 | I796 A800 I804 H832 A833 I839 A840 L875 | I796-L836 HydrophobicContact CD1-CD2 4.2Å; I796-L836 HydrophobicContact CD1-CG 4.49Å; I796-L836 HydrophobicContact CG1-CD2 4.22Å; A800-L836 HydrophobicContact CB-CD2 4.16Å; I804-L836 HydrophobicContact CD1-CD1 4.03Å; H832-L836 PolarHBondContact O-N 2.88Å; A833-L836 PolarHBondContact O-N 3.05Å; L836-I839 PolarHBondContact O-N 2.86Å; L836-A840 WeakPolarHBondContact O-CB 3.46Å; L836-A840 PolarHBondContact O-N 2.58Å; L836-L875 HydrophobicContact CD2-CD1 4.36Å |
| 837 | R | 81.1 | Confident | 75.8 | Confident | 195 Ų | 195 | 69 Ų | 69 | 74% | 0.736 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.8 | -36.9 | 177.1 | -171.3 | 177.6 | 179.7 | 178.6 | 0.6 | 112.9 | A833 L834 N835 A840 A841 | A833-R837 WeakPolarHBondContact O-CB 3.46Å; A833-R837 PolarHBondContact O-N 2.53Å; L834-R837 PolarHBondContact O-N 2.66Å; N835-R837 VanDerWaalsContact C-N 3.3Å; N835-R837 PolarHBondContact O-N 3.09Å; R837-A840 WeakPolarHBondContact O-CB 3.37Å; R837-A840 PolarHBondContact O-N 2.75Å; R837-A841 PolarHBondContact O-N 2.7Å |
| 838 | R | 80.1 | Confident | 72.8 | Confident | 169 Ų | 169 | 72.4 Ų | 72.4 | 64% | 0.638 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 174.4 | -76.5 | 176.8 | 178.9 | 176.2 | -0.9 | 111.4 | L834 N835 A840 A841 N842 | L834-R838 WeakPolarHBondContact O-CG 3.43Å; L834-R838 PolarHBondContact O-N 3.12Å; N835-R838 PolarHBondContact O-N 2.81Å; R838-A840 VanDerWaalsContact C-N 3.32Å; R838-A840 PolarHBondContact O-N 2.7Å; R838-A841 PolarHBondContact O-N 3.34Å; R838-N842 VanDerWaalsContact O-CG 3.31Å; R838-N842 PolarHBondContact O-N 2.63Å |
| 839 | I | 71.4 | Confident | 69.9 | Low | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.7 | -67.2 | 170.1 | 0 | 0 | 0 | 110.2 | I796 N835 L836 A841 N842 S843 L875 | I796-I839 HydrophobicContact CD1-CD1 3.72Å; I796-I839 HydrophobicContact CG1-CD1 4.5Å; N835-I839 VanDerWaalsContact O-CG1 3.27Å; N835-I839 WeakPolarHBondContact O-CG1 3.48Å; N835-I839 PolarHBondContact O-N 2.89Å; L836-I839 PolarHBondContact O-N 2.86Å; I839-A841 VanDerWaalsContact C-N 3.33Å; I839-A841 PolarHBondContact O-N 3.21Å; I839-N842 PolarHBondContact O-N 3.17Å; I839-S843 PolarHBondContact O-N 3.44Å; I839-S843 PolarHBondContact O-OG 2.87Å; I839-L875 HydrophobicContact CD1-CD1 3.99Å; I839-L875 HydrophobicContact CD1-CG 4.48Å; I839-L875 HydrophobicContact CG2-CB 3.82Å; I839-L875 HydrophobicContact CG2-CD1 4.07Å |
| 840 | A | 67.6 | Low | 67.1 | Low | 21 Ų | 21 | 79 Ų | 79 | 17% | 0.174 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.2 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L836 R837 R838 S843 A844 W881 | L836-A840 WeakPolarHBondContact O-CB 3.46Å; L836-A840 PolarHBondContact O-N 2.58Å; R837-A840 WeakPolarHBondContact O-CB 3.37Å; R837-A840 PolarHBondContact O-N 2.75Å; R838-A840 VanDerWaalsContact C-N 3.32Å; R838-A840 PolarHBondContact O-N 2.7Å; A840-S843 PolarHBondContact O-OG 3.25Å; A840-A844 WeakPolarHBondContact O-CB 3.24Å; A840-A844 PolarHBondContact O-N 2.85Å; A840-W881 VanDerWaalsContact CA-CE2 3.5Å; A840-W881 HydrophobicContact CB-CD2 4.43Å; A840-W881 HydrophobicContact CB-CH2 3.78Å; A840-W881 HydrophobicContact CB-CZ2 3.02Å |
| 841 | A | 67.9 | Low | 64.3 | Low | 47 Ų | 47 | 72.6 Ų | 72.6 | 39% | 0.388 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | R837 R838 I839 A844 L845 | R837-A841 PolarHBondContact O-N 2.7Å; R838-A841 PolarHBondContact O-N 3.34Å; I839-A841 VanDerWaalsContact C-N 3.33Å; I839-A841 PolarHBondContact O-N 3.21Å; A841-A844 PolarHBondContact O-N 2.9Å; A841-L845 WeakPolarHBondContact O-CB 3.38Å; A841-L845 WeakPolarHBondContact O-CD1 3.38Å; A841-L845 VanDerWaalsContact O-CG 3.27Å; A841-L845 WeakPolarHBondContact O-CG 3.29Å; A841-L845 PolarHBondContact O-N 2.68Å; A841-L845 VanDerWaalsContact O-N 3.15Å |
| 842 | N | 65.4 | Low | 61.5 | Low | 93 Ų | 93 | 79.3 Ų | 79.3 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 178.9 | -71.1 | -5.7 | 0 | 0 | 0 | 112.2 | R838 I839 A844 L845 S846 | R838-N842 VanDerWaalsContact O-CG 3.31Å; R838-N842 PolarHBondContact O-N 2.63Å; I839-N842 PolarHBondContact O-N 3.17Å; N842-A844 VanDerWaalsContact C-N 3.33Å; N842-L845 PolarHBondContact O-N 3.23Å; N842-S846 WeakPolarHBondContact O-CB 3.46Å; N842-S846 PolarHBondContact O-N 2.89Å |
| 843 | S | 59.6 | Low | 58.8 | Low | 33 Ų | 33 | 85.7 Ų | 85.7 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.4 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | I839 A840 L845 | I839-S843 PolarHBondContact O-N 3.44Å; I839-S843 PolarHBondContact O-OG 2.87Å; A840-S843 PolarHBondContact O-OG 3.25Å; S843-L845 VanDerWaalsContact C-N 3.3Å; S843-L845 PolarHBondContact O-N 3.43Å |
| 844 | A | 57.3 | Low | 56.3 | Low | 64 Ų | 64 | 88 Ų | 88 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A840 A841 N842 | A840-A844 WeakPolarHBondContact O-CB 3.24Å; A840-A844 PolarHBondContact O-N 2.85Å; A841-A844 PolarHBondContact O-N 2.9Å; N842-A844 VanDerWaalsContact C-N 3.33Å |
| 845 | L | 55.7 | Low | 53.7 | Low | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -89.7 | -36.7 | -174.8 | -71.8 | 166.4 | 0 | 0 | 0 | 114.8 | A841 N842 S843 E847 C848 | A841-L845 WeakPolarHBondContact O-CB 3.38Å; A841-L845 WeakPolarHBondContact O-CD1 3.38Å; A841-L845 VanDerWaalsContact O-CG 3.27Å; A841-L845 WeakPolarHBondContact O-CG 3.29Å; A841-L845 PolarHBondContact O-N 2.68Å; A841-L845 VanDerWaalsContact O-N 3.15Å; N842-L845 PolarHBondContact O-N 3.23Å; S843-L845 VanDerWaalsContact C-N 3.3Å; S843-L845 PolarHBondContact O-N 3.43Å; L845-E847 VanDerWaalsContact C-N 3.26Å; L845-E847 PolarHBondContact O-N 3.19Å; L845-E847 VanDerWaalsContact O-N 3.14Å; L845-C848 WeakPolarHBondContact O-CB 3.15Å; L845-C848 PolarHBondContact O-N 2.92Å |
| 846 | S | 47.8 | Very low | 51.2 | Low | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -17.7 | -163.8 | 75 | 0 | 0 | 0 | 0 | 115.7 | N842 T849 | N842-S846 WeakPolarHBondContact O-CB 3.46Å; N842-S846 PolarHBondContact O-N 2.89Å; S846-T849 PolarHBondContact O-OG1 3.16Å |
| 847 | E | 43.8 | Very low | 48.8 | Very low | 75 Ų | 75 | 102.5 Ų | 102.5 | 35% | 0.35 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79.2 | -23.4 | 173.9 | -70.9 | -175 | 143.5 | 0 | 0 | 113.1 | K537 L845 T849 Q878 | K537-E847 IonicContact NZ-OE2 3.31Å; K537-E847 PolarHBondContact NZ-OE2 3.32Å; L845-E847 VanDerWaalsContact C-N 3.26Å; L845-E847 PolarHBondContact O-N 3.19Å; L845-E847 VanDerWaalsContact O-N 3.14Å; E847-T849 VanDerWaalsContact C-N 3.25Å; E847-T849 PolarHBondContact O-N 2.91Å; E847-Q878 PolarHBondContact OE1-NE2 3.17Å; E847-Q878 PolarHBondContact OE2-NE2 3.3Å |
| 848 | C | 32.3 | Very low | 46.6 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 51% | 0.507 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.1 | -19.5 | -176.7 | -71.9 | 0 | 0 | 0 | 0 | 113.4 | L845 | L845-C848 WeakPolarHBondContact O-CB 3.15Å; L845-C848 PolarHBondContact O-N 2.92Å |
| 849 | T | 31 | Very low | 44.2 | Very low | 77 Ų | 77 | 98.1 Ų | 98.1 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -96.4 | -31.8 | -177.6 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | S846 E847 S851 K852 E853 | S846-T849 PolarHBondContact O-OG1 3.16Å; E847-T849 VanDerWaalsContact C-N 3.25Å; E847-T849 PolarHBondContact O-N 2.91Å; T849-S851 PolarHBondContact O-N 3.1Å; T849-K852 PolarHBondContact O-N 3.49Å; T849-E853 PolarHBondContact O-N 2.9Å |
| 850 | N | 33.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 104.4 Ų | 104.4 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.6 | -22.9 | -175.1 | -76.8 | -20.5 | 0 | 0 | 0 | 114.3 | S854 | N850-S854 WeakPolarHBondContact O-CB 3.41Å; N850-S854 PolarHBondContact O-OG 3.05Å |
| 851 | S | 33.6 | Very low | 40.6 | Very low | 57 Ų | 57 | 112.6 Ų | 112.6 | 40% | 0.399 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -83.4 | -21.5 | 176.4 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | T849 | T849-S851 PolarHBondContact O-N 3.1Å |
| 852 | K | 33.2 | Very low | 38.8 | Very low | 178 Ų | 178 | 114.9 Ų | 114.9 | 77% | 0.774 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -94.5 | -28 | -178.1 | -72.6 | -174.8 | 178.2 | 178 | 0 | 114.6 | T849 | T849-K852 PolarHBondContact O-N 3.49Å |
| 853 | E | 33.4 | Very low | 37.5 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -97.2 | -15.1 | -176.7 | -70.2 | -174.2 | 162.2 | 0 | 0 | 114.6 | T849 R855 | T849-E853 PolarHBondContact O-N 2.9Å; E853-R855 VanDerWaalsContact C-N 3.32Å; E853-R855 PolarHBondContact O-N 3.44Å |
| 854 | S | 32.8 | Very low | 36.3 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -2.2 | -176.3 | 56 | 0 | 0 | 0 | 0 | 115.4 | N850 | N850-S854 WeakPolarHBondContact O-CB 3.41Å; N850-S854 PolarHBondContact O-OG 3.05Å |
| 855 | R | 33.4 | Very low | 35.2 | Very low | 219 Ų | 219 | 124.5 Ų | 124.5 | 83% | 0.826 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -4 | -177.6 | -78.4 | -173.7 | 176.1 | 173.8 | 2.7 | 116.1 | E853 | E853-R855 VanDerWaalsContact C-N 3.32Å; E853-R855 PolarHBondContact O-N 3.44Å |
| 856 | N | 33.5 | Very low | 34.2 | Very low | 149 Ų | 149 | 127 Ų | 127 | 80% | 0.797 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -141.2 | 32.6 | -171.6 | -76.5 | -36.1 | 0 | 0 | 0 | 116.3 | ||
| 857 | L | 31.5 | Very low | 33.4 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | -119.9 | 121.4 | 172.1 | -81.5 | 150.4 | 0 | 0 | 0 | 110.9 | ||||
| 858 | P | 33.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | trans | -66.3 | 137.6 | 174.7 | 27.2 | -30.9 | 0 | 0 | 0 | 110 | N860 | P858-N860 PolarHBondContact O-N 3.24Š| ||
| 859 | N | 30.6 | Very low | 32.8 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -49.1 | 101.4 | 175.2 | -69.9 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 860 | N | 30.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | trans | 170.6 | 136.3 | 146.8 | -83.3 | -25.3 | 0 | 0 | 0 | 106.7 | P858 | P858-N860 PolarHBondContact O-N 3.24Š| ||
| 861 | E | 31.5 | Very low | 32.5 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | 89.1 | 78 | -177.6 | -51.6 | 178.4 | -177.6 | 0 | 0 | 116.1 | ||||
| 862 | S | 31.3 | Very low | 32.3 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | trans | -175.9 | 71.1 | 148.7 | 43.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 863 | I | 36.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -100.8 | -14 | 168.8 | -68 | 176 | 0 | 0 | 0 | 111.9 | ||
| 864 | D | 35.1 | Very low | 32.8 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 65% | 0.652 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -94.8 | -23.4 | -172.8 | -68.6 | -37.1 | 0 | 0 | 0 | 115.5 | K866 | D864-K866 PolarHBondContact O-N 2.77Š|
| 865 | N | 34.4 | Very low | 33.7 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -11.8 | 179.9 | -70.7 | -8.3 | 0 | 0 | 0 | 114.5 | K867 | N865-K867 VanDerWaalsContact C-N 3.34Š|
| 866 | K | 33.8 | Very low | 34 | Very low | 167 Ų | 167 | 122.1 Ų | 122.1 | 73% | 0.726 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -15.1 | 176.3 | -79.7 | -177.7 | 176.3 | 177 | 0 | 113.6 | D864 | D864-K866 PolarHBondContact O-N 2.77Š|
| 867 | K | 31 | Very low | 35 | Very low | 141 Ų | 141 | 120 Ų | 120 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -80.2 | -24.2 | -179.6 | -78 | 179.6 | 178.1 | 170 | 0 | 113.9 | N865 L869 S870 | N865-K867 VanDerWaalsContact C-N 3.34Å; K867-L869 VanDerWaalsContact C-N 3.35Å; K867-S870 WeakPolarHBondContact CA-OG 3.49Å; K867-S870 PolarHBondContact O-N 3.06Å; K867-S870 PolarHBondContact O-OG 3.21Å |
| 868 | E | 30.5 | Very low | 36 | Very low | 153 Ų | 153 | 115.9 Ų | 115.9 | 72% | 0.715 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -76.3 | -24.2 | 176.4 | -67.8 | -168.3 | 158 | 0 | 0 | 112.9 | S870 | E868-S870 VanDerWaalsContact C-N 3.33Š|
| 869 | L | 33.5 | Very low | 37 | Very low | 129 Ų | 129 | 110.6 Ų | 110.6 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -81.9 | -10.4 | 174.5 | -75.4 | 145.9 | 0 | 0 | 0 | 113.3 | K867 | K867-L869 VanDerWaalsContact C-N 3.35Š|
| 870 | S | 28.6 | Very low | 38.6 | Very low | 83 Ų | 83 | 106.1 Ų | 106.1 | 58% | 0.58 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -92.5 | 13.7 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | K867 E868 | K867-S870 WeakPolarHBondContact CA-OG 3.49Å; K867-S870 PolarHBondContact O-N 3.06Å; K867-S870 PolarHBondContact O-OG 3.21Å; E868-S870 VanDerWaalsContact C-N 3.33Å |
| 871 | N | 30.2 | Very low | 40.4 | Very low | 109 Ų | 109 | 101.8 Ų | 101.8 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -75.2 | 124.1 | 171.3 | -87 | -20.9 | 0 | 0 | 0 | 110.2 | G873 | N871-G873 VanDerWaalsContact C-N 3.32Å; N871-G873 PolarHBondContact O-N 2.85Å |
| 872 | P | 29 | Very low | 41.9 | Very low | 129 Ų | 129 | 93 Ų | 93 | 84% | 0.838 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 88.9 | 177.9 | 29.3 | -33.4 | 0 | 0 | 0 | 109 | ||
| 873 | G | 40.7 | Very low | 43.5 | Very low | 32 Ų | 32 | 90.6 Ų | 90.6 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 177.3 | -6.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | N871 | N871-G873 VanDerWaalsContact C-N 3.32Å; N871-G873 PolarHBondContact O-N 2.85Å |
| 874 | F | 36.9 | Very low | 45.4 | Very low | 123 Ų | 123 | 83.9 Ų | 83.9 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | trans | -106.8 | 127.1 | 172.4 | -81.3 | -89.5 | 0 | 0 | 0 | 110.1 | T876 | F874-T876 HydrophobicContact CB-CG2 3.45Å; F874-T876 VanDerWaalsContact CB-CG2 3.45Å; F874-T876 PolarHBondContact O-N 2.88Å | ||
| 875 | L | 50.2 | Low | 47.4 | Very low | 12 Ų | 12 | 82.4 Ų | 82.4 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | trans | -64.4 | 74.5 | 161.7 | -63.6 | 165.3 | 0 | 0 | 0 | 107.8 | A800 L836 I839 E880 | A800-L875 HydrophobicContact CB-CD1 3.8Å; A800-L875 HydrophobicContact CB-CD2 4.11Å; L836-L875 HydrophobicContact CD2-CD1 4.36Å; I839-L875 HydrophobicContact CD1-CD1 3.99Å; I839-L875 HydrophobicContact CD1-CG 4.48Å; I839-L875 HydrophobicContact CG2-CB 3.82Å; I839-L875 HydrophobicContact CG2-CD1 4.07Å; L875-E880 WeakPolarHBondContact CA-OE2 3.44Å; L875-E880 HydrophobicContact CD2-CB 3.76Å | ||
| 876 | T | 40.5 | Very low | 49.2 | Very low | 89 Ų | 89 | 76.5 Ų | 76.5 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | trans | -86.4 | -23.3 | -175.1 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | F874 | F874-T876 HydrophobicContact CB-CG2 3.45Å; F874-T876 VanDerWaalsContact CB-CG2 3.45Å; F874-T876 PolarHBondContact O-N 2.88Å | ||
| 877 | L | 53.8 | Low | 51.2 | Low | 106 Ų | 106 | 68.9 Ų | 68.9 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -85.5 | 127.8 | -179.2 | -64.5 | 170.2 | 0 | 0 | 0 | 109.6 | G879 E880 | L877-G879 PolarHBondContact O-N 2.83Å; L877-G879 VanDerWaalsContact O-N 3.16Å; L877-E880 HydrophobicContact CB-CG 4.11Å; L877-E880 PolarHBondContact O-N 2.97Å |
| 878 | Q | 52.5 | Low | 53.8 | Low | 59 Ų | 59 | 64.7 Ų | 64.7 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -51.2 | -39.5 | 179.1 | -72.9 | 178.5 | -36.5 | 0 | 0 | 111.9 | E847 E880 W881 A882 | E847-Q878 PolarHBondContact OE1-NE2 3.17Å; E847-Q878 PolarHBondContact OE2-NE2 3.3Å; Q878-E880 VanDerWaalsContact C-N 3.34Å; Q878-E880 PolarHBondContact O-N 2.81Å; Q878-W881 PolarHBondContact O-N 3.37Å; Q878-A882 PolarHBondContact O-N 2.71Å; Q878-A882 VanDerWaalsContact O-N 3.16Å |
| 879 | G | 55.9 | Low | 56.2 | Low | 4 Ų | 4 | 59 Ų | 59 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E600 L877 T883 | E600-G879 VanDerWaalsContact OE1-CA 3.3Å; E600-G879 WeakPolarHBondContact OE1-CA 3.46Å; E600-G879 PolarHBondContact OE1-N 2.88Å; L877-G879 PolarHBondContact O-N 2.83Å; L877-G879 VanDerWaalsContact O-N 3.16Å; G879-T883 VanDerWaalsContact O-CG2 3.26Å; G879-T883 WeakPolarHBondContact O-CG2 3.36Å; G879-T883 PolarHBondContact O-N 2.91Å; G879-T883 VanDerWaalsContact O-N 3.09Å; G879-T883 PolarHBondContact O-OG1 2.91Å |
| 880 | E | 63.6 | Low | 58.4 | Low | 61 Ų | 61 | 54.4 Ų | 54.4 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | -180 | -65.1 | -175.9 | 160.9 | 0 | 0 | 111.4 | L875 L877 Q878 T883 C884 | L875-E880 WeakPolarHBondContact CA-OE2 3.44Å; L875-E880 HydrophobicContact CD2-CB 3.76Å; L877-E880 HydrophobicContact CB-CG 4.11Å; L877-E880 PolarHBondContact O-N 2.97Å; Q878-E880 VanDerWaalsContact C-N 3.34Å; Q878-E880 PolarHBondContact O-N 2.81Å; E880-T883 PolarHBondContact O-OG1 2.92Å; E880-C884 PolarHBondContact O-N 3.14Å; E880-C884 VanDerWaalsContact O-N 3.16Å |
| 881 | W | 68.2 | Low | 61.1 | Low | 61 Ų | 61 | 50.9 Ų | 50.9 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 179.6 | -162.9 | 79.1 | 0 | 0 | 0 | 112.3 | A840 Q878 T883 C884 Q885 | A840-W881 VanDerWaalsContact CA-CE2 3.5Å; A840-W881 HydrophobicContact CB-CD2 4.43Å; A840-W881 HydrophobicContact CB-CH2 3.78Å; A840-W881 HydrophobicContact CB-CZ2 3.02Å; Q878-W881 PolarHBondContact O-N 3.37Å; W881-T883 PolarHBondContact O-N 2.87Å; W881-C884 CarbonylContact O-C 3.6Å; W881-C884 WeakPolarHBondContact O-CA 3.41Å; W881-C884 WeakPolarHBondContact O-CB 3.44Å; W881-C884 PolarHBondContact O-N 2.9Å; W881-C884 VanDerWaalsContact O-N 3.13Å; W881-Q885 HydrophobicContact CH2-CB 4.48Å; W881-Q885 HydrophobicContact CZ3-CB 4.32Å; W881-Q885 PolarHBondContact O-N 3.49Å |
| 882 | A | 62.4 | Low | 63.8 | Low | 8 Ų | 8 | 51.5 Ų | 51.5 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D598 Q878 C884 Q885 A886 | D598-A882 HydrophobicContact CB-CB 3.63Å; Q878-A882 PolarHBondContact O-N 2.71Å; Q878-A882 VanDerWaalsContact O-N 3.16Å; A882-C884 VanDerWaalsContact C-N 3.29Å; A882-C884 PolarHBondContact O-N 3.19Å; A882-Q885 PolarHBondContact O-N 2.89Å; A882-A886 WeakPolarHBondContact O-CB 3.3Å; A882-A886 PolarHBondContact O-N 2.83Å |
| 883 | T | 66.3 | Low | 66.3 | Low | 46 Ų | 46 | 45.7 Ų | 45.7 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.9 | -37 | 170.9 | 59.1 | 0 | 0 | 0 | 0 | 112 | M1 G879 E880 W881 A886 S887 | M1-T883 HydrophobicContact CB-CG2 4.18Å; G879-T883 VanDerWaalsContact O-CG2 3.26Å; G879-T883 WeakPolarHBondContact O-CG2 3.36Å; G879-T883 PolarHBondContact O-N 2.91Å; G879-T883 VanDerWaalsContact O-N 3.09Å; G879-T883 PolarHBondContact O-OG1 2.91Å; E880-T883 PolarHBondContact O-OG1 2.92Å; W881-T883 PolarHBondContact O-N 2.87Å; T883-A886 PolarHBondContact O-N 3.17Å; T883-S887 PolarHBondContact O-N 3.46Å |
| 884 | C | 76 | Confident | 68.2 | Low | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 172.4 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | A800 E880 W881 A882 A886 S887 L888 | A800-C884 HydrophobicContact CB-CB 4.18Å; E880-C884 PolarHBondContact O-N 3.14Å; E880-C884 VanDerWaalsContact O-N 3.16Å; W881-C884 CarbonylContact O-C 3.6Å; W881-C884 WeakPolarHBondContact O-CA 3.41Å; W881-C884 WeakPolarHBondContact O-CB 3.44Å; W881-C884 PolarHBondContact O-N 2.9Å; W881-C884 VanDerWaalsContact O-N 3.13Å; A882-C884 VanDerWaalsContact C-N 3.29Å; A882-C884 PolarHBondContact O-N 3.19Å; C884-A886 VanDerWaalsContact C-N 3.34Å; C884-S887 PolarHBondContact O-N 3.09Å; C884-S887 PolarHBondContact O-OG 2.78Å; C884-L888 VanDerWaalsContact O-CG 3.31Å; C884-L888 WeakPolarHBondContact O-CG 3.37Å; C884-L888 PolarHBondContact O-N 3Å |
| 885 | Q | 76.8 | Confident | 70.7 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.2 | -177.5 | 179.4 | -9.6 | 0 | 0 | 110.9 | W881 A882 S887 L888 V889 | W881-Q885 HydrophobicContact CH2-CB 4.48Å; W881-Q885 HydrophobicContact CZ3-CB 4.32Å; W881-Q885 PolarHBondContact O-N 3.49Å; A882-Q885 PolarHBondContact O-N 2.89Å; Q885-S887 VanDerWaalsContact C-N 3.31Å; Q885-S887 PolarHBondContact O-N 3.38Å; Q885-L888 WeakPolarHBondContact O-CB 3.34Å; Q885-L888 PolarHBondContact O-N 3.42Å; Q885-V889 WeakPolarHBondContact O-CG2 3.47Å; Q885-V889 PolarHBondContact O-N 3.37Å |
| 886 | A | 71.8 | Confident | 72.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V597 T694 A882 T883 C884 V889 R890 | V597-A886 HydrophobicContact CG1-CB 4.08Å; T694-A886 VanDerWaalsContact C-CB 3.45Å; T694-A886 VanDerWaalsContact O-CB 3.27Å; T694-A886 WeakPolarHBondContact O-CB 3.14Å; A882-A886 WeakPolarHBondContact O-CB 3.3Å; A882-A886 PolarHBondContact O-N 2.83Å; T883-A886 PolarHBondContact O-N 3.17Å; C884-A886 VanDerWaalsContact C-N 3.34Å; A886-V889 PolarHBondContact O-N 3.21Å; A886-R890 PolarHBondContact O-N 3.14Å; A886-R890 VanDerWaalsContact O-N 3.08Å |
| 887 | S | 77.7 | Confident | 74.1 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.6 | -34.7 | 174.7 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | I804 T883 C884 Q885 R890 L891 | I804-S887 WeakPolarHBondContact CG2-OG 3.36Å; T883-S887 PolarHBondContact O-N 3.46Å; C884-S887 PolarHBondContact O-N 3.09Å; C884-S887 PolarHBondContact O-OG 2.78Å; Q885-S887 VanDerWaalsContact C-N 3.31Å; Q885-S887 PolarHBondContact O-N 3.38Å; S887-R890 PolarHBondContact O-N 3.4Å; S887-L891 WeakPolarHBondContact O-CB 3.28Å; S887-L891 PolarHBondContact O-N 3.05Å |
| 888 | L | 85.3 | Confident | 75.5 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 172.4 | -74.9 | 170.7 | 0 | 0 | 0 | 112.4 | I804 L829 C884 Q885 R890 L891 Q892 | I804-L888 HydrophobicContact CD1-CD2 4.16Å; I804-L888 HydrophobicContact CG2-CD2 4.13Å; I804-L888 HydrophobicContact CG2-CG 4.43Å; L829-L888 HydrophobicContact CD2-CD2 4.18Å; C884-L888 VanDerWaalsContact O-CG 3.31Å; C884-L888 WeakPolarHBondContact O-CG 3.37Å; C884-L888 PolarHBondContact O-N 3Å; Q885-L888 WeakPolarHBondContact O-CB 3.34Å; Q885-L888 PolarHBondContact O-N 3.42Å; L888-R890 VanDerWaalsContact C-N 3.32Å; L888-R890 PolarHBondContact O-N 3.25Å; L888-L891 PolarHBondContact O-N 2.9Å; L888-Q892 WeakPolarHBondContact O-CB 3.28Å; L888-Q892 PolarHBondContact O-N 3.39Å |
| 889 | V | 80.6 | Confident | 77.2 | Confident | 34 Ų | 34 | 43 Ų | 43 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | P348 Q885 A886 L891 Q892 A893 | P348-V889 WeakPolarHBondContact O-CG1 3.34Å; Q885-V889 WeakPolarHBondContact O-CG2 3.47Å; Q885-V889 PolarHBondContact O-N 3.37Å; A886-V889 PolarHBondContact O-N 3.21Å; V889-L891 VanDerWaalsContact C-N 3.35Å; V889-L891 PolarHBondContact O-N 3.45Å; V889-Q892 PolarHBondContact O-N 2.89Å; V889-A893 WeakPolarHBondContact O-CB 3.09Å; V889-A893 PolarHBondContact O-N 3.26Å |
| 890 | R | 78.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 45 Ų | 45 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.7 | -172.1 | -177.1 | -67.8 | 135.9 | 18 | 112 | T694 D696 A808 A886 S887 L888 A893 S894 | T694-R890 HydrophobicContact CG2-CB 4.18Å; T694-R890 PolarHBondContact O-NH2 2.86Å; T694-R890 PolarHBondContact OG1-NH2 3.24Å; D696-R890 IonicContact OD1-CZ 2.84Å; D696-R890 IonicContact OD1-NH1 3.76Å; D696-R890 PolarHBondContact OD1-NH1 2.87Å; D696-R890 IonicContact OD1-NH2 2.87Å; D696-R890 PolarHBondContact OD1-NH2 3.43Å; D696-R890 IonicContact OD2-CZ 3.67Å; D696-R890 IonicContact OD2-NH1 2.79Å; D696-R890 PolarHBondContact OD2-NH1 3.35Å; D696-R890 IonicContact OD2-NH2 3.02Å; D696-R890 PolarHBondContact OD2-NH2 3.39Å; D696-R890 VanDerWaalsContact OD2-NH2 3.13Å; A808-R890 HydrophobicContact CB-CB 4.19Å; A808-R890 HydrophobicContact CB-CG 3.87Å; A886-R890 PolarHBondContact O-N 3.14Å; A886-R890 VanDerWaalsContact O-N 3.08Å; S887-R890 PolarHBondContact O-N 3.4Å; L888-R890 VanDerWaalsContact C-N 3.32Å; L888-R890 PolarHBondContact O-N 3.25Å; R890-A893 PolarHBondContact O-N 3.42Å; R890-S894 WeakPolarHBondContact O-CB 3.38Å; R890-S894 PolarHBondContact O-N 3.09Å; R890-S894 PolarHBondContact O-OG 2.73Å |
| 891 | L | 86.4 | Confident | 79.2 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.5 | -174.5 | 147.2 | 0 | 0 | 0 | 110.7 | I804 A808 T825 L829 S887 L888 V889 A893 S894 L895 | I804-L891 HydrophobicContact CG2-CB 4.43Å; I804-L891 HydrophobicContact CG2-CD1 3.98Å; A808-L891 HydrophobicContact CB-CB 3.95Å; T825-L891 HydrophobicContact CG2-CD1 3.86Å; L829-L891 HydrophobicContact CD1-CD2 4.2Å; S887-L891 WeakPolarHBondContact O-CB 3.28Å; S887-L891 PolarHBondContact O-N 3.05Å; L888-L891 PolarHBondContact O-N 2.9Å; V889-L891 VanDerWaalsContact C-N 3.35Å; V889-L891 PolarHBondContact O-N 3.45Å; L891-A893 PolarHBondContact O-N 2.98Å; L891-S894 PolarHBondContact O-N 2.77Å; L891-S894 PolarHBondContact O-OG 3.05Å; L891-L895 HydrophobicContact CD2-CD1 3.52Å; L891-L895 HydrophobicContact CD2-CG 4.24Å; L891-L895 HydrophobicContact CG-CD1 4.46Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 2.73Å |
| 892 | Q | 87.5 | Confident | 80 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 57% | 0.565 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 175.8 | -179.6 | 179.3 | -8.7 | 0 | 0 | 111.8 | L888 V889 L895 N896 | L888-Q892 WeakPolarHBondContact O-CB 3.28Å; L888-Q892 PolarHBondContact O-N 3.39Å; V889-Q892 PolarHBondContact O-N 2.89Å; Q892-L895 PolarHBondContact O-N 3.26Å; Q892-N896 WeakPolarHBondContact O-CB 3.24Å; Q892-N896 VanDerWaalsContact O-CG 3.29Å; Q892-N896 PolarHBondContact O-N 3.46Å; Q892-N896 PolarHBondContact O-ND2 2.86Å |
| 893 | A | 80.5 | Confident | 81.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D349 L351 V889 R890 L891 N896 H897 | D349-A893 HydrophobicContact CB-CB 4.2Å; L351-A893 HydrophobicContact CD1-CB 4.23Å; L351-A893 HydrophobicContact CG-CB 4.3Å; V889-A893 WeakPolarHBondContact O-CB 3.09Å; V889-A893 PolarHBondContact O-N 3.26Å; R890-A893 PolarHBondContact O-N 3.42Å; L891-A893 PolarHBondContact O-N 2.98Å; A893-N896 PolarHBondContact O-N 2.7Å; A893-H897 WeakPolarHBondContact O-CB 2.96Å; A893-H897 PolarHBondContact O-N 2.78Å |
| 894 | S | 81.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.8 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | R890 L891 H897 V898 | R890-S894 WeakPolarHBondContact O-CB 3.38Å; R890-S894 PolarHBondContact O-N 3.09Å; R890-S894 PolarHBondContact O-OG 2.73Å; L891-S894 PolarHBondContact O-N 2.77Å; L891-S894 PolarHBondContact O-OG 3.05Å; S894-H897 WeakPolarHBondContact O-CB 3.21Å; S894-H897 PolarHBondContact O-N 3.29Å; S894-V898 WeakPolarHBondContact O-CG2 3.4Å; S894-V898 PolarHBondContact O-N 3.27Å |
| 895 | L | 88 | Confident | 82.2 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 176.4 | -72.7 | 177 | 0 | 0 | 0 | 112 | L811 V822 L891 Q892 H897 V898 K899 | L811-L895 HydrophobicContact CD1-CD2 3.83Å; L811-L895 HydrophobicContact CD1-CG 4.36Å; V822-L895 HydrophobicContact CG2-CD2 4.17Å; L891-L895 HydrophobicContact CD2-CD1 3.52Å; L891-L895 HydrophobicContact CD2-CG 4.24Å; L891-L895 HydrophobicContact CG-CD1 4.46Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 2.73Å; Q892-L895 PolarHBondContact O-N 3.26Å; L895-H897 VanDerWaalsContact C-N 3.29Å; L895-H897 PolarHBondContact O-N 3.3Å; L895-V898 PolarHBondContact O-N 3.48Å; L895-K899 WeakPolarHBondContact O-CB 3.49Å; L895-K899 PolarHBondContact O-N 2.65Å |
| 896 | N | 84.2 | Confident | 82.7 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 173.5 | -77.1 | -26.8 | 0 | 0 | 0 | 111.5 | Q892 A893 K899 S900 | Q892-N896 WeakPolarHBondContact O-CB 3.24Å; Q892-N896 VanDerWaalsContact O-CG 3.29Å; Q892-N896 PolarHBondContact O-N 3.46Å; Q892-N896 PolarHBondContact O-ND2 2.86Å; A893-N896 PolarHBondContact O-N 2.7Å; N896-K899 PolarHBondContact O-N 3.35Å; N896-S900 WeakPolarHBondContact O-CB 3.26Å; N896-S900 PolarHBondContact O-N 3.05Å; N896-S900 PolarHBondContact O-OG 2.98Å |
| 897 | H | 77.9 | Confident | 83.4 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 32% | 0.319 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.7 | -50.9 | 175 | -171.2 | 56.4 | 0 | 0 | 0 | 111.2 | A893 S894 L895 K899 S900 H901 | A893-H897 WeakPolarHBondContact O-CB 2.96Å; A893-H897 PolarHBondContact O-N 2.78Å; S894-H897 WeakPolarHBondContact O-CB 3.21Å; S894-H897 PolarHBondContact O-N 3.29Å; L895-H897 VanDerWaalsContact C-N 3.29Å; L895-H897 PolarHBondContact O-N 3.3Å; H897-K899 VanDerWaalsContact C-N 3.32Å; H897-K899 PolarHBondContact O-N 3.5Å; H897-S900 PolarHBondContact O-N 3.27Å; H897-S900 VanDerWaalsContact O-N 3.14Å; H897-S900 PolarHBondContact O-OG 3.04Å; H897-H901 WeakPolarHBondContact O-CB 3.44Å; H897-H901 PolarHBondContact O-N 2.81Å |
| 898 | V | 84.7 | Confident | 83.7 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 12% | 0.121 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.3 | -47.5 | 174.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | V818 S894 L895 S900 H901 L902 | V818-V898 HydrophobicContact CG1-CG1 3.6Å; V818-V898 HydrophobicContact CG1-CG2 4.18Å; S894-V898 WeakPolarHBondContact O-CG2 3.4Å; S894-V898 PolarHBondContact O-N 3.27Å; L895-V898 PolarHBondContact O-N 3.48Å; V898-S900 PolarHBondContact O-N 2.96Å; V898-H901 PolarHBondContact O-N 3.34Å; V898-L902 HydrophobicContact CG1-CD1 3.9Å; V898-L902 HydrophobicContact CG1-CG 4.4Å; V898-L902 WeakPolarHBondContact O-CG 3.49Å; V898-L902 PolarHBondContact O-N 3.49Å |
| 899 | K | 87.5 | Confident | 83.7 | Confident | 131 Ų | 131 | 70.8 Ų | 70.8 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.8 | -48.6 | 176.2 | -179.9 | -177.9 | 178.5 | 179.2 | 0 | 111.7 | L895 N896 H897 H901 L902 I903 | L895-K899 WeakPolarHBondContact O-CB 3.49Å; L895-K899 PolarHBondContact O-N 2.65Å; N896-K899 PolarHBondContact O-N 3.35Å; H897-K899 VanDerWaalsContact C-N 3.32Å; H897-K899 PolarHBondContact O-N 3.5Å; K899-H901 VanDerWaalsContact C-N 3.31Å; K899-H901 PolarHBondContact O-N 2.94Å; K899-L902 PolarHBondContact O-N 3.27Å; K899-I903 HydrophobicContact CG-CD1 3.94Å; K899-I903 VanDerWaalsContact O-CG1 3.28Å; K899-I903 WeakPolarHBondContact O-CG1 3.5Å; K899-I903 PolarHBondContact O-N 2.9Å |
| 900 | S | 81.3 | Confident | 83.9 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 180 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | N896 H897 V898 K904 | N896-S900 WeakPolarHBondContact O-CB 3.26Å; N896-S900 PolarHBondContact O-N 3.05Å; N896-S900 PolarHBondContact O-OG 2.98Å; H897-S900 PolarHBondContact O-N 3.27Å; H897-S900 VanDerWaalsContact O-N 3.14Å; H897-S900 PolarHBondContact O-OG 3.04Å; V898-S900 PolarHBondContact O-N 2.96Å; S900-K904 WeakPolarHBondContact O-CG 3.22Å; S900-K904 PolarHBondContact O-N 2.86Å |
| 901 | H | 80.9 | Confident | 84.2 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.546 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70 | -41.1 | 178.8 | -166.6 | -78.1 | 0 | 0 | 0 | 111.5 | H897 V898 K899 K904 H905 | H897-H901 WeakPolarHBondContact O-CB 3.44Å; H897-H901 PolarHBondContact O-N 2.81Å; V898-H901 PolarHBondContact O-N 3.34Å; K899-H901 VanDerWaalsContact C-N 3.31Å; K899-H901 PolarHBondContact O-N 2.94Å; H901-K904 PolarHBondContact O-N 3.17Å; H901-H905 WeakPolarHBondContact O-CB 3.23Å; H901-H905 PolarHBondContact O-N 3.38Å |
| 902 | L | 84.7 | Confident | 84.1 | Confident | 101 Ų | 101 | 81 Ų | 81 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.4 | -73.4 | 170.6 | 0 | 0 | 0 | 111.5 | V898 K899 H905 C906 | V898-L902 HydrophobicContact CG1-CD1 3.9Å; V898-L902 HydrophobicContact CG1-CG 4.4Å; V898-L902 WeakPolarHBondContact O-CG 3.49Å; V898-L902 PolarHBondContact O-N 3.49Å; K899-L902 PolarHBondContact O-N 3.27Å; L902-H905 PolarHBondContact O-N 2.87Å; L902-C906 PolarHBondContact O-N 2.89Å; L902-C906 PolarHBondContact O-SG 2.8Å; L902-C906 VanDerWaalsContact O-SG 3.37Å |
| 903 | I | 86.5 | Confident | 83.8 | Confident | 79 Ų | 79 | 83.6 Ų | 83.6 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59 | -50.1 | 176.3 | -68.3 | 165.5 | 0 | 0 | 0 | 110.4 | K899 H905 C906 E907 | K899-I903 HydrophobicContact CG-CD1 3.94Å; K899-I903 VanDerWaalsContact O-CG1 3.28Å; K899-I903 WeakPolarHBondContact O-CG1 3.5Å; K899-I903 PolarHBondContact O-N 2.9Å; I903-H905 VanDerWaalsContact C-N 3.27Å; I903-H905 PolarHBondContact O-N 2.84Å; I903-C906 PolarHBondContact O-N 2.95Å; I903-E907 HydrophobicContact CG2-CG 4.43Å; I903-E907 WeakPolarHBondContact O-CG 3.45Å; I903-E907 PolarHBondContact O-N 2.81Å |
| 904 | K | 81.9 | Confident | 84.1 | Confident | 132 Ų | 132 | 87.7 Ų | 87.7 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.6 | -38.1 | 176.8 | -74.4 | -178.4 | -179.3 | -172.1 | 0 | 112.7 | S900 H901 E907 N908 | S900-K904 WeakPolarHBondContact O-CG 3.22Å; S900-K904 PolarHBondContact O-N 2.86Å; H901-K904 PolarHBondContact O-N 3.17Å; K904-E907 PolarHBondContact O-N 2.92Å; K904-N908 WeakPolarHBondContact O-CB 3.04Å; K904-N908 PolarHBondContact O-N 2.74Å; K904-N908 PolarHBondContact O-ND2 2.96Å |
| 905 | H | 82.7 | Confident | 84.2 | Confident | 111 Ų | 111 | 94.6 Ų | 94.6 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 178.4 | -166.8 | 62.3 | 0 | 0 | 0 | 111.3 | H901 L902 I903 N908 V909 | H901-H905 WeakPolarHBondContact O-CB 3.23Å; H901-H905 PolarHBondContact O-N 3.38Å; L902-H905 PolarHBondContact O-N 2.87Å; I903-H905 VanDerWaalsContact C-N 3.27Å; I903-H905 PolarHBondContact O-N 2.84Å; H905-N908 PolarHBondContact O-N 2.83Å; H905-V909 VanDerWaalsContact O-CG2 3.31Å; H905-V909 WeakPolarHBondContact O-CG2 3.37Å; H905-V909 PolarHBondContact O-N 3.28Å |
| 906 | C | 86.1 | Confident | 83.9 | Confident | 75 Ų | 75 | 98 Ų | 98 | 51% | 0.507 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 172.8 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | L902 I903 N908 V909 D910 | L902-C906 PolarHBondContact O-N 2.89Å; L902-C906 PolarHBondContact O-SG 2.8Å; L902-C906 VanDerWaalsContact O-SG 3.37Å; I903-C906 PolarHBondContact O-N 2.95Å; C906-N908 VanDerWaalsContact C-N 3.3Å; C906-N908 PolarHBondContact O-N 3.35Å; C906-V909 PolarHBondContact O-N 3.09Å; C906-V909 VanDerWaalsContact O-N 3.16Å; C906-D910 PolarHBondContact O-N 2.88Å |
| 907 | E | 86.7 | Confident | 83.8 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.8 | -72.3 | 172.6 | 176.9 | 0 | 0 | 112 | I903 K904 D910 N911 | I903-E907 HydrophobicContact CG2-CG 4.43Å; I903-E907 WeakPolarHBondContact O-CG 3.45Å; I903-E907 PolarHBondContact O-N 2.81Å; K904-E907 PolarHBondContact O-N 2.92Å; E907-D910 PolarHBondContact O-N 3.2Å; E907-N911 WeakPolarHBondContact O-CB 3.43Å; E907-N911 PolarHBondContact O-N 3.08Å; E907-N911 PolarHBondContact O-ND2 2.99Å; E907-N911 VanDerWaalsContact O-ND2 3.12Å |
| 908 | N | 83.6 | Confident | 84 | Confident | 92 Ų | 92 | 98 Ų | 98 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.5 | -75.6 | -14.2 | 0 | 0 | 0 | 112.5 | K904 H905 C906 N911 L912 | K904-N908 WeakPolarHBondContact O-CB 3.04Å; K904-N908 PolarHBondContact O-N 2.74Å; K904-N908 PolarHBondContact O-ND2 2.96Å; H905-N908 PolarHBondContact O-N 2.83Å; C906-N908 VanDerWaalsContact C-N 3.3Å; C906-N908 PolarHBondContact O-N 3.35Å; N908-N911 PolarHBondContact O-N 3.33Å; N908-L912 WeakPolarHBondContact O-CB 3.49Å; N908-L912 VanDerWaalsContact O-CG 3.3Å; N908-L912 WeakPolarHBondContact O-CG 3.44Å; N908-L912 PolarHBondContact O-N 2.88Å |
| 909 | V | 85.1 | Confident | 83.6 | Confident | 60 Ų | 60 | 98.5 Ų | 98.5 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.3 | H905 C906 N911 L912 W913 | H905-V909 VanDerWaalsContact O-CG2 3.31Å; H905-V909 WeakPolarHBondContact O-CG2 3.37Å; H905-V909 PolarHBondContact O-N 3.28Å; C906-V909 PolarHBondContact O-N 3.09Å; C906-V909 VanDerWaalsContact O-N 3.16Å; V909-N911 PolarHBondContact O-N 3.32Å; V909-L912 PolarHBondContact O-N 3.32Å; V909-W913 PolarHBondContact O-N 3.4Å |
| 910 | D | 85.3 | Confident | 83 | Confident | 96 Ų | 96 | 97 Ų | 97 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.4 | -70.9 | -20 | 0 | 0 | 0 | 111.3 | C906 E907 W913 N914 | C906-D910 PolarHBondContact O-N 2.88Å; E907-D910 PolarHBondContact O-N 3.2Å; D910-W913 PolarHBondContact O-N 2.92Å; D910-N914 WeakPolarHBondContact O-CB 3.45Å; D910-N914 VanDerWaalsContact O-CG 3.23Å; D910-N914 PolarHBondContact O-N 3.48Å; D910-N914 PolarHBondContact O-ND2 2.87Å |
| 911 | N | 85.7 | Confident | 82.7 | Confident | 98 Ų | 98 | 100.5 Ų | 100.5 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 175.6 | -72.6 | -27.1 | 0 | 0 | 0 | 112.4 | E907 N908 V909 W913 N914 Y915 | E907-N911 WeakPolarHBondContact O-CB 3.43Å; E907-N911 PolarHBondContact O-N 3.08Å; E907-N911 PolarHBondContact O-ND2 2.99Å; E907-N911 VanDerWaalsContact O-ND2 3.12Å; N908-N911 PolarHBondContact O-N 3.33Å; V909-N911 PolarHBondContact O-N 3.32Å; N911-W913 VanDerWaalsContact C-N 3.33Å; N911-N914 PolarHBondContact O-N 3.37Å; N911-Y915 WeakPolarHBondContact O-CB 3.4Å; N911-Y915 PolarHBondContact O-N 2.77Å |
| 912 | L | 82.7 | Confident | 82.1 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 173.1 | -78.7 | 166.9 | 0 | 0 | 0 | 110.5 | N908 V909 Y915 Y916 | N908-L912 WeakPolarHBondContact O-CB 3.49Å; N908-L912 VanDerWaalsContact O-CG 3.3Å; N908-L912 WeakPolarHBondContact O-CG 3.44Å; N908-L912 PolarHBondContact O-N 2.88Å; V909-L912 PolarHBondContact O-N 3.32Å; L912-Y915 WeakPolarHBondContact O-CB 3.4Å; L912-Y915 PolarHBondContact O-N 2.88Å; L912-Y916 HydrophobicContact CB-CE2 4.47Å; L912-Y916 WeakPolarHBondContact O-CD2 3.49Å; L912-Y916 PolarHBondContact O-N 3.39Å |
| 913 | W | 83.1 | Confident | 81.1 | Confident | 174 Ų | 174 | 102.6 Ų | 102.6 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 177 | -99.7 | 143.5 | 0 | 0 | 0 | 112.4 | V909 D910 N911 Y915 Y916 E917 | V909-W913 PolarHBondContact O-N 3.4Å; D910-W913 PolarHBondContact O-N 2.92Å; N911-W913 VanDerWaalsContact C-N 3.33Å; W913-Y915 VanDerWaalsContact C-N 3.32Å; W913-Y915 PolarHBondContact O-N 3.41Å; W913-Y916 HydrophobicContact CE3-CD2 4.23Å; W913-Y916 HydrophobicContact CE3-CG 4.46Å; W913-Y916 HydrophobicContact CZ3-CD2 4.36Å; W913-Y916 HydrophobicContact CZ3-CG 4.44Å; W913-Y916 PolarHBondContact O-N 3.25Å; W913-E917 WeakPolarHBondContact O-CB 3.29Å; W913-E917 PolarHBondContact O-N 3.16Å |
| 914 | N | 84.9 | Confident | 79.9 | Confident | 93 Ų | 93 | 104.2 Ų | 104.2 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.8 | -70.5 | -29.4 | 0 | 0 | 0 | 111.9 | D910 N911 E917 S918 | D910-N914 WeakPolarHBondContact O-CB 3.45Å; D910-N914 VanDerWaalsContact O-CG 3.23Å; D910-N914 PolarHBondContact O-N 3.48Å; D910-N914 PolarHBondContact O-ND2 2.87Å; N911-N914 PolarHBondContact O-N 3.37Å; N914-E917 PolarHBondContact O-N 2.94Å; N914-S918 WeakPolarHBondContact O-CB 3.42Å; N914-S918 PolarHBondContact O-N 3.39Å; N914-S918 PolarHBondContact O-OG 2.74Å |
| 915 | Y | 84.1 | Confident | 78.8 | Confident | 151 Ų | 151 | 103.8 Ų | 103.8 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -49.1 | 174 | 177.3 | -96.9 | 0 | 0 | 0 | 111 | N911 L912 W913 E917 S918 S919 | N911-Y915 WeakPolarHBondContact O-CB 3.4Å; N911-Y915 PolarHBondContact O-N 2.77Å; L912-Y915 WeakPolarHBondContact O-CB 3.4Å; L912-Y915 PolarHBondContact O-N 2.88Å; W913-Y915 VanDerWaalsContact C-N 3.32Å; W913-Y915 PolarHBondContact O-N 3.41Å; Y915-E917 PolarHBondContact O-N 2.79Å; Y915-S918 PolarHBondContact O-N 3.18Å; Y915-S918 PolarHBondContact O-OG 2.83Å; Y915-S919 WeakPolarHBondContact O-CB 3.27Å; Y915-S919 PolarHBondContact O-N 2.86Å; Y915-S919 PolarHBondContact O-OG 2.93Å |
| 916 | Y | 82.6 | Confident | 77.5 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.5 | -77.7 | -63 | 0 | 0 | 0 | 111.8 | L912 W913 S918 S919 L920 | L912-Y916 HydrophobicContact CB-CE2 4.47Å; L912-Y916 WeakPolarHBondContact O-CD2 3.49Å; L912-Y916 PolarHBondContact O-N 3.39Å; W913-Y916 HydrophobicContact CE3-CD2 4.23Å; W913-Y916 HydrophobicContact CE3-CG 4.46Å; W913-Y916 HydrophobicContact CZ3-CD2 4.36Å; W913-Y916 HydrophobicContact CZ3-CG 4.44Å; W913-Y916 PolarHBondContact O-N 3.25Å; Y916-S918 PolarHBondContact O-N 2.87Å; Y916-S919 WeakPolarHBondContact CA-OG 3.42Å; Y916-S919 PolarHBondContact O-N 2.76Å; Y916-S919 PolarHBondContact O-OG 3.01Å; Y916-L920 WeakPolarHBondContact O-CB 3.36Å; Y916-L920 PolarHBondContact O-N 2.87Å |
| 917 | E | 82.7 | Confident | 75.9 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.1 | -163 | -170 | 151.7 | 0 | 0 | 111.9 | W913 N914 Y915 L920 K921 | W913-E917 WeakPolarHBondContact O-CB 3.29Å; W913-E917 PolarHBondContact O-N 3.16Å; N914-E917 PolarHBondContact O-N 2.94Å; Y915-E917 PolarHBondContact O-N 2.79Å; E917-L920 PolarHBondContact O-N 3.04Å; E917-K921 WeakPolarHBondContact O-CG 3.36Å; E917-K921 PolarHBondContact O-N 2.98Å; E917-K921 VanDerWaalsContact OE1-CE 3.3Å; E917-K921 WeakPolarHBondContact OE1-CE 3.45Å; E917-K921 IonicContact OE1-NZ 3.89Å; E917-K921 PolarHBondContact OE1-NZ 2.91Å |
| 918 | S | 80.8 | Confident | 74.2 | Confident | 55 Ų | 55 | 107.6 Ų | 107.6 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 175.9 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | N914 Y915 Y916 K921 L922 | N914-S918 WeakPolarHBondContact O-CB 3.42Å; N914-S918 PolarHBondContact O-N 3.39Å; N914-S918 PolarHBondContact O-OG 2.74Å; Y915-S918 PolarHBondContact O-N 3.18Å; Y915-S918 PolarHBondContact O-OG 2.83Å; Y916-S918 PolarHBondContact O-N 2.87Å; S918-K921 PolarHBondContact O-N 3.22Å; S918-L922 WeakPolarHBondContact O-CG 3.38Å; S918-L922 PolarHBondContact O-N 3.34Å |
| 919 | S | 77.1 | Confident | 72.6 | Confident | 31 Ų | 31 | 109.7 Ų | 109.7 | 22% | 0.217 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | 176.7 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | Y915 Y916 L922 Y923 | Y915-S919 WeakPolarHBondContact O-CB 3.27Å; Y915-S919 PolarHBondContact O-N 2.86Å; Y915-S919 PolarHBondContact O-OG 2.93Å; Y916-S919 WeakPolarHBondContact CA-OG 3.42Å; Y916-S919 PolarHBondContact O-N 2.76Å; Y916-S919 PolarHBondContact O-OG 3.01Å; S919-L922 PolarHBondContact O-N 3.36Å; S919-Y923 WeakPolarHBondContact O-CD2 3.46Å; S919-Y923 PolarHBondContact O-N 3.04Å |
| 920 | L | 74.2 | Confident | 70.6 | Confident | 101 Ų | 101 | 111.5 Ų | 111.5 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 174.3 | -113.3 | 140 | 0 | 0 | 0 | 111.8 | Y916 E917 Y923 H924 | Y916-L920 WeakPolarHBondContact O-CB 3.36Å; Y916-L920 PolarHBondContact O-N 2.87Å; E917-L920 PolarHBondContact O-N 3.04Å; L920-Y923 PolarHBondContact O-N 3.18Å; L920-H924 PolarHBondContact O-CD2 2.8Å; L920-H924 PolarHBondContact O-N 3.47Å |
| 921 | K | 75 | Confident | 68.5 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 172.6 | -74.4 | 173.7 | -174.7 | 164 | 0 | 111.6 | E917 S918 Y923 H924 E925 | E917-K921 WeakPolarHBondContact O-CG 3.36Å; E917-K921 PolarHBondContact O-N 2.98Å; E917-K921 VanDerWaalsContact OE1-CE 3.3Å; E917-K921 WeakPolarHBondContact OE1-CE 3.45Å; E917-K921 IonicContact OE1-NZ 3.89Å; E917-K921 PolarHBondContact OE1-NZ 2.91Å; S918-K921 PolarHBondContact O-N 3.22Å; K921-Y923 VanDerWaalsContact C-N 3.35Å; K921-Y923 PolarHBondContact O-N 2.87Å; K921-H924 PolarHBondContact O-N 3.42Å; K921-E925 WeakPolarHBondContact O-CB 2.85Å; K921-E925 WeakPolarHBondContact O-CG 3.07Å; K921-E925 PolarHBondContact O-N 2.97Å |
| 922 | L | 68.6 | Low | 66.2 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.5 | -36.1 | 175.4 | -78 | 162.9 | 0 | 0 | 0 | 112.8 | S918 S919 K926 | S918-L922 WeakPolarHBondContact O-CG 3.38Å; S918-L922 PolarHBondContact O-N 3.34Å; S919-L922 PolarHBondContact O-N 3.36Å; L922-K926 WeakPolarHBondContact O-CB 3.4Å; L922-K926 WeakPolarHBondContact O-CG 3.47Å; L922-K926 PolarHBondContact O-N 3.02Å |
| 923 | Y | 64.2 | Low | 63.8 | Low | 167 Ų | 167 | 117.3 Ų | 117.3 | 66% | 0.655 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.6 | -45.4 | 173.3 | -100.8 | -86.7 | 0 | 0 | 0 | 111.5 | S919 L920 K921 E925 K926 D927 | S919-Y923 WeakPolarHBondContact O-CD2 3.46Å; S919-Y923 PolarHBondContact O-N 3.04Å; L920-Y923 PolarHBondContact O-N 3.18Å; K921-Y923 VanDerWaalsContact C-N 3.35Å; K921-Y923 PolarHBondContact O-N 2.87Å; Y923-E925 PolarHBondContact O-N 3.03Å; Y923-K926 PolarHBondContact O-N 2.95Å; Y923-D927 PolarHBondContact O-N 2.97Å |
| 924 | H | 61.1 | Low | 61.2 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.2 | -33.9 | 176 | -84.2 | -58.1 | 0 | 0 | 0 | 113.6 | L920 K921 K926 N928 | L920-H924 PolarHBondContact O-CD2 2.8Å; L920-H924 PolarHBondContact O-N 3.47Å; K921-H924 PolarHBondContact O-N 3.42Å; H924-K926 VanDerWaalsContact C-N 3.35Å; H924-N928 PolarHBondContact O-N 3.11Å; H924-N928 VanDerWaalsContact O-N 3.11Å |
| 925 | E | 58.6 | Low | 58.7 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 58% | 0.575 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.7 | -30.9 | 172.2 | -79 | -178.5 | 169.8 | 0 | 0 | 112.6 | K921 Y923 N929 | K921-E925 WeakPolarHBondContact O-CB 2.85Å; K921-E925 WeakPolarHBondContact O-CG 3.07Å; K921-E925 PolarHBondContact O-N 2.97Å; Y923-E925 PolarHBondContact O-N 3.03Å; E925-N929 PolarHBondContact O-N 2.84Å; E925-N929 PolarHBondContact O-ND2 3.4Å |
| 926 | K | 56.1 | Low | 56.3 | Low | 134 Ų | 134 | 120 Ų | 120 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75 | -40.4 | 172.9 | -78.9 | -179.4 | 178.5 | -178.8 | 0 | 112.2 | L922 Y923 H924 N928 N929 N930 | L922-K926 WeakPolarHBondContact O-CB 3.4Å; L922-K926 WeakPolarHBondContact O-CG 3.47Å; L922-K926 PolarHBondContact O-N 3.02Å; Y923-K926 PolarHBondContact O-N 2.95Å; H924-K926 VanDerWaalsContact C-N 3.35Å; K926-N928 VanDerWaalsContact C-N 3.34Å; K926-N928 PolarHBondContact O-N 3.45Å; K926-N929 CarbonylContact O-C 3.57Å; K926-N929 PolarHBondContact O-N 2.92Å; K926-N929 VanDerWaalsContact O-N 3.13Å; K926-N930 VanDerWaalsContact O-CB 3.22Å; K926-N930 WeakPolarHBondContact O-CB 3.22Å; K926-N930 PolarHBondContact O-N 3.47Å |
| 927 | D | 51 | Low | 53.9 | Low | 101 Ų | 101 | 122.1 Ų | 122.1 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.9 | -35.4 | 177.3 | -79.1 | -13.3 | 0 | 0 | 0 | 112.3 | Y923 N929 | Y923-D927 PolarHBondContact O-N 2.97Å; D927-N929 VanDerWaalsContact C-N 3.27Å; D927-N929 PolarHBondContact O-N 3.13Å |
| 928 | N | 51.8 | Low | 51.3 | Low | 135 Ų | 135 | 125.2 Ų | 125.2 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.6 | -21.2 | 173.8 | -80.2 | -22.2 | 0 | 0 | 0 | 113.5 | H924 K926 | H924-N928 PolarHBondContact O-N 3.11Å; H924-N928 VanDerWaalsContact O-N 3.11Å; K926-N928 VanDerWaalsContact C-N 3.34Å; K926-N928 PolarHBondContact O-N 3.45Å |
| 929 | N | 50.8 | Low | 49 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -99.7 | -13.2 | 178.7 | -73.8 | -37.6 | 0 | 0 | 0 | 113.7 | E925 K926 D927 | E925-N929 PolarHBondContact O-N 2.84Å; E925-N929 PolarHBondContact O-ND2 3.4Å; K926-N929 CarbonylContact O-C 3.57Å; K926-N929 PolarHBondContact O-N 2.92Å; K926-N929 VanDerWaalsContact O-N 3.13Å; D927-N929 VanDerWaalsContact C-N 3.27Å; D927-N929 PolarHBondContact O-N 3.13Å |
| 930 | N | 42 | Very low | 46.7 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 53% | 0.529 | 69% | 0.691 | S | S | . | * | trans | -111.9 | 27.2 | -171.7 | -78.1 | -11.9 | 0 | 0 | 0 | 115.7 | K926 Q932 | K926-N930 VanDerWaalsContact O-CB 3.22Å; K926-N930 WeakPolarHBondContact O-CB 3.22Å; K926-N930 PolarHBondContact O-N 3.47Å; N930-Q932 PolarHBondContact O-N 3.23Å | ||
| 931 | V | 41.7 | Very low | 44.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -64 | 7.5 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 932 | Q | 36.9 | Very low | 42.1 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -135.5 | 67.2 | 174 | -68.3 | -173.9 | -13.9 | 0 | 0 | 111.8 | N930 | N930-Q932 PolarHBondContact O-N 3.23Š|
| 933 | S | 32.7 | Very low | 40.8 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 167.5 | 83.1 | 147.2 | 40.6 | 0 | 0 | 0 | 0 | 111.3 | N935 | S933-N935 PolarHBondContact O-N 2.83Š| ||
| 934 | E | 29.2 | Very low | 39.6 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -69 | 107.5 | 154.8 | -73.5 | 179.7 | 158.2 | 0 | 0 | 107.7 | ||||
| 935 | N | 32.3 | Very low | 38.4 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 177 | 136.9 | 144.3 | -87.2 | -34.5 | 0 | 0 | 0 | 109.2 | S933 | S933-N935 PolarHBondContact O-N 2.83Š| ||
| 936 | V | 32.5 | Very low | 37.2 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 86.9 | 104.6 | 172.9 | -164 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 937 | M | 32.1 | Very low | 36 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | 177.3 | 86 | 134.6 | -87.2 | -93.2 | -83 | 0 | 0 | 109.8 | ||||
| 938 | E | 29.4 | Very low | 35 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | -97.6 | 153.4 | 148.9 | -81 | -177 | 159.6 | 0 | 0 | 107.4 | ||||
| 939 | Y | 32.1 | Very low | 33.8 | Very low | 211 Ų | 211 | 150.4 Ų | 150.4 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | 92 | 85.8 | 178.6 | -56.9 | -80 | 0 | 0 | 0 | 117.2 | ||||
| 940 | S | 28.2 | Very low | 32.5 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -170.1 | 98.9 | 130.5 | 37.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 941 | S | 25.6 | Very low | 31.8 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 88% | 0.881 | 86% | 0.862 | S | S | * | * | trans | -140.5 | 99.5 | 159.1 | 51.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 942 | S | 28.4 | Very low | 30.9 | Very low | 195 Ų | 195 | 158.1 Ų | 158.1 | 100% | 1.364 | 87% | 0.868 | S | S | * | * | trans | -154.7 | 0 | 163.8 | 62.8 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 942 of 942 residues in 1604.2 ms
(Link to these results)