| 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 | 52.2 | Low | 88 | Confident | 242 Ų | 242 | 71.3 Ų | 71.3 | 100% | 1.192 | 36% | 0.363 | S | S | * | . | 0 | 136.6 | 0 | -72.2 | 175.7 | -170.1 | 0 | 0 | 107.6 | |||||
| 2 | A | 69.9 | Low | 88.4 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 81% | 0.81 | 33% | 0.334 | S | S | * | . | trans | -65.7 | 139.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E4 | A2-E4 PolarHBondContact O-N 3.06Å; A2-E4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | R | 84.9 | Confident | 88.6 | Confident | 155 Ų | 155 | 67.8 Ų | 67.8 | 59% | 0.585 | 34% | 0.336 | S | S | * | . | trans | -68.5 | 107.6 | 172.5 | -70.7 | -172.8 | -106.5 | 168.4 | -3.1 | 107.8 | Y96 D102 | R3-Y96 HydrophobicContact CB-CD1 3.62Å; R3-Y96 HydrophobicContact CB-CE1 3.93Å; R3-Y96 HydrophobicContact CB-CG 3.96Å; R3-D102 IonicContact NH1-OD1 2.9Å; R3-D102 PolarHBondContact NH1-OD1 3.42Å; R3-D102 IonicContact NH1-OD2 2.75Å; R3-D102 PolarHBondContact NH1-OD2 2.8Å | ||
| 4 | E | 92.4 | Very high | 88.5 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | trans | -84.3 | 118.4 | -180 | -171.8 | -169.7 | 163.5 | 0 | 0 | 109.5 | A2 Y96 R97 | A2-E4 PolarHBondContact O-N 3.06Å; A2-E4 VanDerWaalsContact O-N 3.13Å; E4-Y96 CarbonylContact O-C 3.53Å; E4-Y96 VanDerWaalsContact O-CA 3.28Å; E4-Y96 WeakPolarHBondContact O-CA 3.25Å; E4-R97 HydrophobicContact CB-CB 4.46Å; E4-R97 PolarHBondContact O-N 3.44Å; E4-R97 IonicContact OE1-CZ 2.62Å; E4-R97 IonicContact OE1-NE 2.82Å; E4-R97 IonicContact OE1-NH2 3.79Å; E4-R97 PolarHBondContact OE1-NH2 3.25Å; E4-R97 IonicContact OE2-CZ 2.67Å; E4-R97 IonicContact OE2-NE 3.08Å; E4-R97 PolarHBondContact OE2-NE 3.35Å; E4-R97 IonicContact OE2-NH2 3.33Å; E4-R97 PolarHBondContact OE2-NH2 2.91Å; E4-R97 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 5 | M | 94.2 | Very high | 88.5 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.2 | 175.7 | -177.6 | -170.7 | 77.8 | 0 | 0 | 110.4 | L8 R22 I25 L28 I94 I95 Y96 | M5-L8 HydrophobicContact SD-CD2 3.56Å; M5-L8 VanDerWaalsContact SD-CD2 3.56Å; M5-L8 HydrophobicContact SD-CG 4.06Å; M5-R22 HydrophobicContact CE-CB 4.48Å; M5-R22 HydrophobicContact CE-CG 4.37Å; M5-I25 HydrophobicContact CE-CD1 4.32Å; M5-L28 HydrophobicContact CE-CD2 4.08Å; M5-L28 HydrophobicContact SD-CD2 4.36Å; M5-I94 HydrophobicContact CB-CG2 4.19Å; M5-I94 HydrophobicContact CG-CG2 3.65Å; M5-I94 HydrophobicContact SD-CG2 3.84Å; M5-I95 CarbonylContact C-O 3.5Å; M5-I95 WeakPolarHBondContact CA-O 3.47Å; M5-Y96 HydrophobicContact CB-CD1 4.35Å; M5-Y96 HydrophobicContact CB-CE1 4.46Å |
| 6 | T | 96.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 65.4 Ų | 65.4 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -30.1 | 179.5 | 53 | 0 | 0 | 0 | 0 | 113 | R22 I95 R97 | T6-R22 WeakPolarHBondContact O-CB 3.41Å; T6-R22 PolarHBondContact O-N 3.14Å; T6-I95 PolarHBondContact N-O 3.01Å; T6-I95 PolarHBondContact OG1-O 2.92Å; T6-R97 HydrophobicContact CG2-CB 3.84Å |
| 7 | A | 96.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 163.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T19 I20 I95 | A7-T19 HydrophobicContact CB-CG2 3.98Å; A7-I20 CarbonylContact C-O 3.58Å; A7-I20 WeakPolarHBondContact CA-O 3.33Å; A7-I20 VanDerWaalsContact CB-O 3.3Å; A7-I20 WeakPolarHBondContact CB-O 3.39Å; A7-I95 HydrophobicContact CB-CB 4.16Å; A7-I95 HydrophobicContact CB-CG1 4.27Å; A7-I95 PolarHBondContact N-O 2.93Å; A7-I95 WeakPolarHBondContact O-CB 3.45Å; A7-I95 PolarHBondContact O-N 3.13Å |
| 8 | L | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.1 | 163.5 | -65.5 | 179.8 | 0 | 0 | 0 | 108.7 | M5 F10 T19 I20 I25 L28 I56 M92 D93 I94 | M5-L8 HydrophobicContact SD-CD2 3.56Å; M5-L8 VanDerWaalsContact SD-CD2 3.56Å; M5-L8 HydrophobicContact SD-CG 4.06Å; L8-F10 HydrophobicContact CB-CE2 4.02Å; L8-F10 HydrophobicContact CB-CZ 4.24Å; L8-F10 HydrophobicContact CD1-CZ 4.08Å; L8-T19 CarbonylContact O-C 3.52Å; L8-T19 WeakPolarHBondContact O-CA 3.22Å; L8-I20 PolarHBondContact N-O 2.84Å; L8-I20 PolarHBondContact O-N 3.14Å; L8-I25 HydrophobicContact CB-CD1 4.31Å; L8-I25 HydrophobicContact CD1-CD1 3.67Å; L8-I25 HydrophobicContact CG-CD1 3.78Å; L8-L28 HydrophobicContact CD1-CD1 3.97Å; L8-L28 HydrophobicContact CD1-CD2 4.14Å; L8-I56 HydrophobicContact CD1-CD1 3.73Å; L8-M92 HydrophobicContact CD1-SD 4.11Å; L8-M92 HydrophobicContact CD2-SD 3.88Å; L8-M92 HydrophobicContact CG-SD 4.46Å; L8-D93 WeakPolarHBondContact CA-O 3.33Å; L8-I94 HydrophobicContact CD2-CB 4.36Å; L8-I94 HydrophobicContact CD2-CG1 3.99Å; L8-I94 HydrophobicContact CD2-CG2 4.38Å |
| 9 | K | 96 | Very high | 89.2 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 109.5 | 173.1 | -177.9 | 173.6 | -178 | 178.6 | 0 | 109.6 | Y11 T17 W18 M92 D93 I95 | K9-Y11 HydrophobicContact CB-CE2 4.49Å; K9-Y11 HydrophobicContact CD-CE2 4.3Å; K9-Y11 HydrophobicContact CG-CE2 4.04Å; K9-T17 WeakPolarHBondContact CE-OG1 3.15Å; K9-W18 CarbonylContact C-O 3.6Å; K9-W18 WeakPolarHBondContact CA-O 3.41Å; K9-M92 CarbonylContact O-C 3.56Å; K9-M92 WeakPolarHBondContact O-CA 3.35Å; K9-D93 HydrophobicContact CB-CB 4.36Å; K9-D93 PolarHBondContact N-O 2.74Å; K9-D93 PolarHBondContact O-N 3.15Å; K9-I95 HydrophobicContact CB-CD1 4.31Å; K9-I95 HydrophobicContact CB-CG1 4.38Å |
| 10 | F | 95.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 144.4 | 175.2 | -64 | -78.1 | 0 | 0 | 0 | 110.8 | L8 T17 W18 I20 F54 I56 I89 M92 F106 | L8-F10 HydrophobicContact CB-CE2 4.02Å; L8-F10 HydrophobicContact CB-CZ 4.24Å; L8-F10 HydrophobicContact CD1-CZ 4.08Å; F10-T17 CarbonylContact O-C 3.51Å; F10-T17 WeakPolarHBondContact O-CA 3.26Å; F10-T17 WeakPolarHBondContact O-CB 3.44Å; F10-W18 HydrophobicContact CD2-CE3 4.21Å; F10-W18 PolarHBondContact N-O 3.19Å; F10-W18 PolarHBondContact O-N 2.87Å; F10-I20 HydrophobicContact CD2-CD1 3.99Å; F10-I20 HydrophobicContact CD2-CG1 4.25Å; F10-I20 HydrophobicContact CE2-CD1 3.57Å; F10-I20 HydrophobicContact CE2-CG1 4.09Å; F10-F54 HydrophobicContact CE1-CE1 4Å; F10-F54 AromaticContact CE1-CZ 3.72Å; F10-F54 HydrophobicContact CE1-CZ 3.72Å; F10-F54 HydrophobicContact CZ-CE1 4.3Å; F10-F54 AromaticContact CZ-CZ 3.77Å; F10-F54 HydrophobicContact CZ-CZ 3.77Å; F10-I56 HydrophobicContact CZ-CD1 4.11Å; F10-I89 HydrophobicContact CB-CG2 4.32Å; F10-I89 HydrophobicContact CD1-CD1 4.38Å; F10-I89 HydrophobicContact CD1-CG2 3.75Å; F10-I89 HydrophobicContact CG-CG2 4.45Å; F10-M92 HydrophobicContact CD1-CB 3.84Å; F10-M92 HydrophobicContact CE1-CB 4.01Å; F10-M92 HydrophobicContact CE1-SD 4.11Å; F10-F106 HydrophobicContact CD1-CE2 4.11Å; F10-F106 HydrophobicContact CD1-CZ 4.33Å; F10-F106 HydrophobicContact CE1-CE2 4.22Å; F10-F106 AromaticContact CE1-CZ 4Å; F10-F106 HydrophobicContact CE1-CZ 4Å |
| 11 | Y | 94.3 | Very high | 89.7 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.2 | 172.5 | -64.4 | -97.7 | 0 | 0 | 0 | 108.2 | K9 T17 E90 R91 D93 | K9-Y11 HydrophobicContact CB-CE2 4.49Å; K9-Y11 HydrophobicContact CD-CE2 4.3Å; K9-Y11 HydrophobicContact CG-CE2 4.04Å; Y11-T17 HydrophobicContact CD1-CG2 3.45Å; Y11-T17 VanDerWaalsContact CD1-CG2 3.45Å; Y11-T17 HydrophobicContact CE1-CG2 3.61Å; Y11-T17 HydrophobicContact CG-CG2 4.21Å; Y11-E90 VanDerWaalsContact O-CG 3.29Å; Y11-E90 WeakPolarHBondContact O-CG 3.4Å; Y11-E90 PolarHBondContact O-N 2.85Å; Y11-R91 HydrophobicContact CD2-CG 3.96Å; Y11-R91 HydrophobicContact CG-CG 4.1Å; Y11-R91 PolarHBondContact N-O 2.99Å; Y11-D93 HydrophobicContact CE2-CB 4.13Å; Y11-D93 VanDerWaalsContact CE2-CG 3.48Å; Y11-D93 WeakPolarHBondContact CE2-OD2 3.4Å; Y11-D93 VanDerWaalsContact CZ-OD2 3.28Å; Y11-D93 PolarHBondContact OH-OD2 3.08Å |
| 12 | F | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 155.3 | 175 | -59.6 | -85.1 | 0 | 0 | 0 | 110 | N14 G15 E16 W18 D88 I89 | F12-N14 VanDerWaalsContact CB-OD1 3.32Å; F12-N14 WeakPolarHBondContact CB-OD1 3.31Å; F12-N14 PolarHBondContact O-N 2.68Å; F12-G15 PolarHBondContact O-N 3.26Å; F12-E16 HydrophobicContact CB-CB 4.34Å; F12-E16 HydrophobicContact CD2-CB 3.88Å; F12-E16 WeakPolarHBondContact CD2-O 3.35Å; F12-E16 HydrophobicContact CG-CB 4.49Å; F12-E16 PolarHBondContact N-O 3.29Å; F12-W18 HydrophobicContact CE2-CB 3.65Å; F12-W18 HydrophobicContact CZ-CB 4.09Å; F12-W18 HydrophobicContact CZ-CE3 4.13Å; F12-D88 CarbonylContact C-O 3.56Å; F12-D88 WeakPolarHBondContact CA-O 3.5Å; F12-D88 WeakPolarHBondContact CD1-OD1 3.44Å; F12-I89 HydrophobicContact CD1-CG1 3.66Å; F12-I89 HydrophobicContact CE1-CD1 4.08Å; F12-I89 HydrophobicContact CE1-CG1 3.48Å; F12-I89 VanDerWaalsContact CE1-CG1 3.48Å; F12-I89 HydrophobicContact CZ-CG1 4.38Å |
| 13 | R | 90.3 | Very high | 93 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.2 | -177 | -165.4 | 64.2 | 170.7 | 169 | -2.9 | 113.1 | G15 D88 E90 L116 | R13-G15 PolarHBondContact O-N 2.77Å; R13-D88 HydrophobicContact CB-CB 3.93Å; R13-D88 PolarHBondContact N-O 3.2Å; R13-E90 WeakPolarHBondContact CD-OE2 3.27Å; R13-E90 IonicContact CZ-OE2 3.85Å; R13-E90 IonicContact NH1-OE2 2.84Å; R13-E90 PolarHBondContact NH1-OE2 3.17Å; R13-L116 HydrophobicContact CB-CB 4.02Å; R13-L116 HydrophobicContact CB-CD1 4.43Å; R13-L116 HydrophobicContact CG-CB 4.01Å; R13-L116 HydrophobicContact CG-CD1 4.41Å; R13-L116 HydrophobicContact CG-CD2 3.87Å; R13-L116 HydrophobicContact CG-CG 4.31Å |
| 14 | N | 87.6 | Confident | 93.5 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.3 | 174.5 | 71.9 | -4.7 | 0 | 0 | 0 | 114.3 | F12 E16 R82 L116 | F12-N14 VanDerWaalsContact CB-OD1 3.32Å; F12-N14 WeakPolarHBondContact CB-OD1 3.31Å; F12-N14 PolarHBondContact O-N 2.68Å; N14-E16 PolarHBondContact ND2-OE2 3.41Å; N14-E16 VanDerWaalsContact OD1-CB 3.25Å; N14-E16 WeakPolarHBondContact OD1-CB 3.3Å; N14-E16 WeakPolarHBondContact OD1-CG 3.18Å; N14-E16 PolarHBondContact OD1-N 3.19Å; N14-R82 PolarHBondContact ND2-NH2 3.49Å; N14-R82 VanDerWaalsContact ND2-NH2 3.14Å; N14-L116 HydrophobicContact CB-CD1 4.14Å |
| 15 | G | 87.7 | Confident | 93.8 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 57% | 0.567 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 90.6 | -2.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F12 R13 | F12-G15 PolarHBondContact O-N 3.26Å; R13-G15 PolarHBondContact O-N 2.77Å |
| 16 | E | 88.4 | Confident | 93.9 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 16% | 0.164 | 20% | 0.199 | C | C | . | . | trans | -66.8 | 157.1 | 169.5 | -68.5 | 175.6 | 153.3 | 0 | 0 | 110.7 | F12 N14 R82 | F12-E16 HydrophobicContact CB-CB 4.34Å; F12-E16 HydrophobicContact CD2-CB 3.88Å; F12-E16 WeakPolarHBondContact CD2-O 3.35Å; F12-E16 HydrophobicContact CG-CB 4.49Å; F12-E16 PolarHBondContact N-O 3.29Å; N14-E16 PolarHBondContact ND2-OE2 3.41Å; N14-E16 VanDerWaalsContact OD1-CB 3.25Å; N14-E16 WeakPolarHBondContact OD1-CB 3.3Å; N14-E16 WeakPolarHBondContact OD1-CG 3.18Å; N14-E16 PolarHBondContact OD1-N 3.19Å; E16-R82 IonicContact OE2-CZ 3.49Å; E16-R82 IonicContact OE2-NE 2.82Å; E16-R82 PolarHBondContact OE2-NE 2.85Å; E16-R82 IonicContact OE2-NH2 3.37Å; E16-R82 PolarHBondContact OE2-NH2 2.9Å | ||
| 17 | T | 92.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.8 | 174.5 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | K9 F10 Y11 D69 | K9-T17 WeakPolarHBondContact CE-OG1 3.15Å; F10-T17 CarbonylContact O-C 3.51Å; F10-T17 WeakPolarHBondContact O-CA 3.26Å; F10-T17 WeakPolarHBondContact O-CB 3.44Å; Y11-T17 HydrophobicContact CD1-CG2 3.45Å; Y11-T17 VanDerWaalsContact CD1-CG2 3.45Å; Y11-T17 HydrophobicContact CE1-CG2 3.61Å; Y11-T17 HydrophobicContact CG-CG2 4.21Å; T17-D69 WeakPolarHBondContact O-CB 3.16Å; T17-D69 PolarHBondContact OG1-OD1 3.06Å |
| 18 | W | 92.5 | Very high | 94 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 116.7 | 174.9 | 174.5 | 33 | 0 | 0 | 0 | 110.8 | K9 F10 F12 I20 I58 M79 F80 A83 L132 I134 | K9-W18 CarbonylContact C-O 3.6Å; K9-W18 WeakPolarHBondContact CA-O 3.41Å; F10-W18 HydrophobicContact CD2-CE3 4.21Å; F10-W18 PolarHBondContact N-O 3.19Å; F10-W18 PolarHBondContact O-N 2.87Å; F12-W18 HydrophobicContact CE2-CB 3.65Å; F12-W18 HydrophobicContact CZ-CB 4.09Å; F12-W18 HydrophobicContact CZ-CE3 4.13Å; W18-I20 HydrophobicContact CD2-CD1 3.86Å; W18-I20 HydrophobicContact CD2-CG1 3.91Å; W18-I20 HydrophobicContact CE3-CD1 3.98Å; W18-I20 HydrophobicContact CE3-CG1 4.49Å; W18-I20 HydrophobicContact CG-CG1 4.3Å; W18-I20 HydrophobicContact CH2-CD1 3.56Å; W18-I20 HydrophobicContact CH2-CG1 4.48Å; W18-I20 HydrophobicContact CZ2-CD1 3.39Å; W18-I20 HydrophobicContact CZ2-CG1 3.87Å; W18-I20 HydrophobicContact CZ3-CD1 3.85Å; W18-I58 HydrophobicContact CH2-CD1 3.64Å; W18-I58 HydrophobicContact CZ2-CD1 4.41Å; W18-I58 HydrophobicContact CZ2-CG2 4.4Å; W18-I58 HydrophobicContact CZ3-CD1 4.02Å; W18-M79 HydrophobicContact CB-SD 4.3Å; W18-M79 HydrophobicContact CD2-CB 3.84Å; W18-M79 HydrophobicContact CD2-CG 4.24Å; W18-M79 VanDerWaalsContact CE2-CB 3.46Å; W18-M79 HydrophobicContact CE3-CB 4.43Å; W18-M79 HydrophobicContact CG-CB 4.16Å; W18-M79 HydrophobicContact CG-CG 4.01Å; W18-M79 HydrophobicContact CG-SD 4.2Å; W18-M79 HydrophobicContact CH2-CB 4.32Å; W18-M79 HydrophobicContact CZ2-CB 3.74Å; W18-F80 AromaticContact CH2-CD1 3.81Å; W18-F80 HydrophobicContact CH2-CD1 3.81Å; W18-F80 AromaticContact CH2-CE1 3.84Å; W18-F80 HydrophobicContact CH2-CE1 3.84Å; W18-F80 AromaticContact CZ2-CD1 3.9Å; W18-F80 HydrophobicContact CZ2-CD1 3.9Å; W18-F80 AromaticContact CZ2-CE1 3.77Å; W18-F80 HydrophobicContact CZ2-CE1 3.77Å; W18-A83 HydrophobicContact CZ3-CB 4.13Å; W18-L132 HydrophobicContact CH2-CD2 3.52Å; W18-L132 HydrophobicContact CZ3-CD2 3.81Å; W18-I134 HydrophobicContact CZ3-CD1 4.3Å |
| 19 | T | 94.3 | Very high | 94 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.4 | 179.2 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | A7 L8 D69 | A7-T19 HydrophobicContact CB-CG2 3.98Å; L8-T19 CarbonylContact O-C 3.52Å; L8-T19 WeakPolarHBondContact O-CA 3.22Å; T19-D69 VanDerWaalsContact CB-OD2 3.28Å; T19-D69 WeakPolarHBondContact CB-OD2 3.49Å; T19-D69 PolarHBondContact N-OD2 3.14Å; T19-D69 PolarHBondContact OG1-OD1 3.37Å; T19-D69 PolarHBondContact OG1-OD2 2.92Å |
| 20 | I | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.7 | 179.6 | -48.2 | -173 | 0 | 0 | 0 | 109.5 | A7 L8 F10 W18 I25 I58 | A7-I20 CarbonylContact C-O 3.58Å; A7-I20 WeakPolarHBondContact CA-O 3.33Å; A7-I20 VanDerWaalsContact CB-O 3.3Å; A7-I20 WeakPolarHBondContact CB-O 3.39Å; L8-I20 PolarHBondContact N-O 2.84Å; L8-I20 PolarHBondContact O-N 3.14Å; F10-I20 HydrophobicContact CD2-CD1 3.99Å; F10-I20 HydrophobicContact CD2-CG1 4.25Å; F10-I20 HydrophobicContact CE2-CD1 3.57Å; F10-I20 HydrophobicContact CE2-CG1 4.09Å; W18-I20 HydrophobicContact CD2-CD1 3.86Å; W18-I20 HydrophobicContact CD2-CG1 3.91Å; W18-I20 HydrophobicContact CE3-CD1 3.98Å; W18-I20 HydrophobicContact CE3-CG1 4.49Å; W18-I20 HydrophobicContact CG-CG1 4.3Å; W18-I20 HydrophobicContact CH2-CD1 3.56Å; W18-I20 HydrophobicContact CH2-CG1 4.48Å; W18-I20 HydrophobicContact CZ2-CD1 3.39Å; W18-I20 HydrophobicContact CZ2-CG1 3.87Å; W18-I20 HydrophobicContact CZ3-CD1 3.85Å; I20-I25 HydrophobicContact CG2-CD1 4.34Å; I20-I25 HydrophobicContact CG2-CG1 3.83Å; I20-I58 HydrophobicContact CD1-CB 4.43Å; I20-I58 HydrophobicContact CD1-CD1 3.25Å; I20-I58 HydrophobicContact CD1-CG1 3.63Å; I20-I58 HydrophobicContact CD1-CG2 3.96Å; I20-I58 HydrophobicContact CG2-CG2 3.93Å |
| 21 | D | 95.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 143.6 | 174.4 | -67.9 | -26.5 | 0 | 0 | 0 | 110.9 | R23 Y24 Q66 | D21-R23 HydrophobicContact CB-CG 3.76Å; D21-R23 PolarHBondContact O-N 2.83Å; D21-R23 IonicContact OD2-CZ 2.74Å; D21-R23 IonicContact OD2-NE 3.32Å; D21-R23 PolarHBondContact OD2-NE 2.67Å; D21-R23 IonicContact OD2-NH2 3.92Å; D21-R23 PolarHBondContact OD2-NH2 3.23Å; D21-Y24 HydrophobicContact CB-CD2 3.87Å; D21-Y24 HydrophobicContact CB-CE2 4.08Å; D21-Y24 PolarHBondContact O-N 3.41Å; D21-Q66 PolarHBondContact OD1-NE2 3.44Å |
| 22 | R | 95.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -49 | -36 | 177.6 | 171.6 | 63.8 | -170.6 | 113.9 | -14.8 | 113.7 | M5 T6 Y24 I25 | M5-R22 HydrophobicContact CE-CB 4.48Å; M5-R22 HydrophobicContact CE-CG 4.37Å; T6-R22 WeakPolarHBondContact O-CB 3.41Å; T6-R22 PolarHBondContact O-N 3.14Å; R22-Y24 PolarHBondContact O-N 2.9Å; R22-I25 PolarHBondContact NH1-O 2.59Å; R22-I25 PolarHBondContact O-N 3.1Å |
| 23 | R | 95.9 | Very high | 94.2 | Very high | 168 Ų | 168 | 61.2 Ų | 61.2 | 63% | 0.634 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -64.5 | -20.1 | -178.6 | 59.4 | 171.3 | 168.3 | 173.1 | -1.2 | 113.9 | D21 | D21-R23 HydrophobicContact CB-CG 3.76Å; D21-R23 PolarHBondContact O-N 2.83Å; D21-R23 IonicContact OD2-CZ 2.74Å; D21-R23 IonicContact OD2-NE 3.32Å; D21-R23 PolarHBondContact OD2-NE 2.67Å; D21-R23 IonicContact OD2-NH2 3.92Å; D21-R23 PolarHBondContact OD2-NH2 3.23Å |
| 24 | Y | 96.5 | Very high | 94.5 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -99.2 | 1.9 | 178.9 | -53.5 | -42.1 | 0 | 0 | 0 | 112.6 | D21 R22 I58 Y59 E61 | D21-Y24 HydrophobicContact CB-CD2 3.87Å; D21-Y24 HydrophobicContact CB-CE2 4.08Å; D21-Y24 PolarHBondContact O-N 3.41Å; R22-Y24 PolarHBondContact O-N 2.9Å; Y24-I58 CarbonylContact O-C 3.55Å; Y24-I58 WeakPolarHBondContact O-CA 3.37Å; Y24-Y59 PolarHBondContact O-N 3.48Å; Y24-E61 HydrophobicContact CD1-CB 3.71Å; Y24-E61 HydrophobicContact CE1-CB 3.54Å |
| 25 | I | 96.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.3 | -179.9 | -61.5 | 173.7 | 0 | 0 | 0 | 108.7 | M5 L8 I20 R22 L28 I56 | M5-I25 HydrophobicContact CE-CD1 4.32Å; L8-I25 HydrophobicContact CB-CD1 4.31Å; L8-I25 HydrophobicContact CD1-CD1 3.67Å; L8-I25 HydrophobicContact CG-CD1 3.78Å; I20-I25 HydrophobicContact CG2-CD1 4.34Å; I20-I25 HydrophobicContact CG2-CG1 3.83Å; R22-I25 PolarHBondContact NH1-O 2.59Å; R22-I25 PolarHBondContact O-N 3.1Å; I25-L28 HydrophobicContact CG2-CB 3.89Å; I25-L28 HydrophobicContact CG2-CD2 4.41Å; I25-I56 HydrophobicContact CD1-CD1 4.24Å; I25-I56 HydrophobicContact CG1-CD1 4.14Å; I25-I56 HydrophobicContact CG2-CD1 3.96Å; I25-I56 HydrophobicContact CG2-CG1 3.95Å |
| 26 | G | 96.9 | Very high | 95 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -105.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E57 Y59 | G26-E57 PolarHBondContact N-O 3.11Å; G26-Y59 VanDerWaalsContact CA-CZ 3.44Å; G26-Y59 VanDerWaalsContact CA-OH 3.25Å; G26-Y59 WeakPolarHBondContact CA-OH 3.22Å |
| 27 | D | 97.1 | Very high | 95.1 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 141.9 | 167.9 | -167.3 | 19.8 | 0 | 0 | 0 | 111.5 | K55 I56 E57 Y146 | D27-K55 WeakPolarHBondContact OD2-CE 3.3Å; D27-K55 IonicContact OD2-NZ 2.77Å; D27-K55 PolarHBondContact OD2-NZ 3.26Å; D27-I56 CarbonylContact O-C 3.55Å; D27-I56 VanDerWaalsContact O-CA 3.31Å; D27-I56 WeakPolarHBondContact O-CA 3.4Å; D27-I56 WeakPolarHBondContact O-CG1 3.15Å; D27-E57 HydrophobicContact CB-CB 4.12Å; D27-E57 PolarHBondContact N-OE2 2.78Å; D27-E57 PolarHBondContact O-N 2.96Å; D27-Y146 HydrophobicContact CB-CE1 4.35Å; D27-Y146 WeakPolarHBondContact OD2-CE1 3.45Å; D27-Y146 PolarHBondContact OD2-OH 2.9Å; D27-Y146 VanDerWaalsContact OD2-OH 3.14Å |
| 28 | L | 97.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 125.4 | 174.6 | 174.2 | 64.8 | 0 | 0 | 0 | 108.9 | M5 L8 I25 F54 I56 | M5-L28 HydrophobicContact CE-CD2 4.08Å; M5-L28 HydrophobicContact SD-CD2 4.36Å; L8-L28 HydrophobicContact CD1-CD1 3.97Å; L8-L28 HydrophobicContact CD1-CD2 4.14Å; I25-L28 HydrophobicContact CG2-CB 3.89Å; I25-L28 HydrophobicContact CG2-CD2 4.41Å; L28-F54 HydrophobicContact CD1-CD2 4.47Å; L28-F54 HydrophobicContact CD1-CE2 3.58Å; L28-F54 HydrophobicContact CD1-CZ 4.13Å; L28-I56 HydrophobicContact CD1-CB 4.19Å; L28-I56 HydrophobicContact CD1-CD1 4.04Å; L28-I56 HydrophobicContact CD1-CG1 4.02Å |
| 29 | W | 97.6 | Very high | 94.4 | Very high | 155 Ų | 155 | 71 Ų | 71 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 129.3 | 174.8 | -179.5 | -93.5 | 0 | 0 | 0 | 111.4 | F54 K55 | W29-F54 WeakPolarHBondContact O-CA 3.26Å; W29-K55 HydrophobicContact CB-CD 4.22Å; W29-K55 HydrophobicContact CB-CG 3.67Å; W29-K55 PolarHBondContact N-O 2.91Å; W29-K55 PolarHBondContact O-N 2.86Å |
| 30 | I | 96.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 73 Ų | 73 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 111 | 174.6 | -47.4 | 163.9 | 0 | 0 | 0 | 107.2 | Q32 I33 C51 F54 M92 I94 V104 | I30-Q32 PolarHBondContact O-N 3.37Å; I30-I33 HydrophobicContact CD1-CD1 4.43Å; I30-I33 HydrophobicContact CG2-CD1 3.89Å; I30-I33 HydrophobicContact CG2-CG1 3.66Å; I30-C51 HydrophobicContact CG2-CB 3.63Å; I30-F54 HydrophobicContact CG1-CD2 4.11Å; I30-F54 HydrophobicContact CG1-CE2 4.45Å; I30-M92 HydrophobicContact CD1-CE 3.34Å; I30-M92 HydrophobicContact CG1-CE 3.82Å; I30-I94 HydrophobicContact CD1-CD1 4.04Å; I30-V104 HydrophobicContact CG2-CG1 4.29Å |
| 31 | K | 96.2 | Very high | 92.9 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 30% | 0.296 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 113.5 | -178.2 | -175.5 | -175.4 | 177.1 | -172 | 0 | 109.3 | A52 G53 D137 | K31-A52 HydrophobicContact CD-CB 4.39Å; K31-A52 HydrophobicContact CG-CB 4.3Å; K31-A52 WeakPolarHBondContact O-CB 3.48Å; K31-A52 PolarHBondContact O-N 2.83Å; K31-G53 WeakPolarHBondContact CB-O 3.25Å; K31-G53 PolarHBondContact N-O 2.62Å; K31-G53 PolarHBondContact O-N 2.81Å; K31-D137 IonicContact NZ-OD2 3.49Å |
| 32 | Q | 93.5 | Very high | 92 | Very high | 139 Ų | 139 | 82.6 Ų | 82.6 | 65% | 0.65 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 91.5 | 169.9 | -66.6 | 179.5 | -31.6 | 0 | 0 | 114.2 | I30 C51 A52 | I30-Q32 PolarHBondContact O-N 3.37Å; Q32-C51 WeakPolarHBondContact O-CA 3.45Å; Q32-A52 HydrophobicContact CB-CB 4.23Å; Q32-A52 PolarHBondContact O-N 3.08Å |
| 33 | I | 95.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 79.6 Ų | 79.6 | 41% | 0.41 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.1 | 167.1 | -56.6 | 173.5 | 0 | 0 | 0 | 107.9 | I30 H49 C51 V104 | I30-I33 HydrophobicContact CD1-CD1 4.43Å; I30-I33 HydrophobicContact CG2-CD1 3.89Å; I30-I33 HydrophobicContact CG2-CG1 3.66Å; I33-H49 HydrophobicContact CG2-CB 3.75Å; I33-C51 HydrophobicContact CG1-CB 4.2Å; I33-V104 HydrophobicContact CD1-CG1 4.4Å; I33-V104 HydrophobicContact CD1-CG2 3.85Å; I33-V104 HydrophobicContact CG1-CG1 4.34Å |
| 34 | T | 95.7 | Very high | 91 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | trans | -107.2 | 161 | 171.8 | 63 | 0 | 0 | 0 | 0 | 110.1 | H49 P50 | T34-H49 VanDerWaalsContact O-CA 3.28Å; T34-H49 WeakPolarHBondContact O-CA 3.45Å; T34-P50 PolarHBondContact N-O 2.82Å; T34-P50 WeakPolarHBondContact O-CD 3.38Å | ||
| 35 | T | 95.7 | Very high | 90.6 | Very high | 71 Ų | 71 | 82.4 Ų | 82.4 | 44% | 0.436 | 43% | 0.425 | S | S | . | . | trans | -102 | 124.1 | 169.7 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | F37 E47 H49 | T35-F37 HydrophobicContact CG2-CD2 4.39Å; T35-F37 HydrophobicContact CG2-CE2 3.71Å; T35-F37 HydrophobicContact CG2-CZ 3.77Å; T35-E47 HydrophobicContact CG2-CG 3.61Å; T35-H49 PolarHBondContact OG1-CD2 2.74Å | ||
| 36 | S | 90.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 84.5 Ų | 84.5 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.4 | 172.4 | -65.8 | 0 | 0 | 0 | 0 | 109.3 | I48 | S36-I48 PolarHBondContact N-O 2.84Å; S36-I48 WeakPolarHBondContact O-CG1 3.34Å; S36-I48 PolarHBondContact O-N 2.9Å |
| 37 | F | 91.7 | Very high | 90.1 | Very high | 127 Ų | 127 | 88.9 Ų | 88.9 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.5 | 175.5 | -61.7 | -90.5 | 0 | 0 | 0 | 109.3 | T35 F45 V46 E47 | T35-F37 HydrophobicContact CG2-CD2 4.39Å; T35-F37 HydrophobicContact CG2-CE2 3.71Å; T35-F37 HydrophobicContact CG2-CZ 3.77Å; F37-F45 HydrophobicContact CB-CE1 3.52Å; F37-F45 HydrophobicContact CB-CE2 4.23Å; F37-F45 HydrophobicContact CB-CZ 3.34Å; F37-F45 HydrophobicContact CD1-CE1 4.11Å; F37-F45 HydrophobicContact CG-CE1 4.17Å; F37-F45 HydrophobicContact CG-CZ 4.37Å; F37-V46 WeakPolarHBondContact CA-O 3.26Å; F37-E47 HydrophobicContact CD1-CB 4Å; F37-E47 HydrophobicContact CD1-CG 4.25Å; F37-E47 HydrophobicContact CE1-CB 3.81Å; F37-E47 HydrophobicContact CE1-CG 3.76Å; F37-E47 HydrophobicContact CZ-CG 4.18Å |
| 38 | G | 87.2 | Confident | 89.9 | Confident | 22 Ų | 22 | 88.1 Ų | 88.1 | 23% | 0.227 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | -173.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F45 V46 | G38-F45 CarbonylContact O-C 3.59Å; G38-F45 WeakPolarHBondContact O-CA 3.35Å; G38-V46 PolarHBondContact N-O 3.16Å; G38-V46 WeakPolarHBondContact O-CG2 3.42Å; G38-V46 PolarHBondContact O-N 2.93Å |
| 39 | R | 83 | Confident | 89.8 | Confident | 146 Ų | 146 | 88.1 Ų | 88.1 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.9 | 173.7 | -65.3 | -175.1 | 173.6 | -98.8 | -0 | 108.9 | S43 E44 | R39-S43 WeakPolarHBondContact CB-O 3.28Å; R39-S43 WeakPolarHBondContact CD-O 3.37Å; R39-S43 WeakPolarHBondContact CG-O 3.34Å; R39-S43 PolarHBondContact NH1-O 2.99Å; R39-E44 IonicContact NH1-OE1 3.74Å |
| 40 | I | 76.2 | Confident | 89.7 | Confident | 63 Ų | 63 | 82.5 Ų | 82.5 | 32% | 0.323 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -98.8 | 117.4 | 174.8 | -56.3 | 179 | 0 | 0 | 0 | 107.4 | G42 S43 V46 I48 | I40-G42 VanDerWaalsContact C-N 3.25Å; I40-G42 PolarHBondContact O-N 3.13Å; I40-S43 PolarHBondContact N-OG 3.18Å; I40-S43 VanDerWaalsContact N-OG 3.11Å; I40-S43 WeakPolarHBondContact O-CB 3.39Å; I40-S43 PolarHBondContact O-N 2.89Å; I40-S43 PolarHBondContact O-OG 3.37Å; I40-V46 HydrophobicContact CD1-CG2 4.15Å; I40-V46 HydrophobicContact CG1-CG2 4.05Å; I40-I48 HydrophobicContact CD1-CG2 3.82Å; I40-I48 HydrophobicContact CG1-CG2 4.46Å |
| 41 | H | 78.7 | Confident | 89.8 | Confident | 174 Ų | 174 | 80.9 Ų | 80.9 | 81% | 0.806 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.2 | -180 | -54.7 | 130.6 | 0 | 0 | 0 | 114.4 | S43 | H41-S43 PolarHBondContact O-N 2.87Š|
| 42 | G | 78.3 | Confident | 89.8 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 8.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I40 | I40-G42 VanDerWaalsContact C-N 3.25Å; I40-G42 PolarHBondContact O-N 3.13Å |
| 43 | S | 82.4 | Confident | 90 | Very high | 52 Ų | 52 | 72.9 Ų | 72.9 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | trans | -64.1 | 179.6 | 172.6 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | R39 I40 H41 | R39-S43 WeakPolarHBondContact CB-O 3.28Å; R39-S43 WeakPolarHBondContact CD-O 3.37Å; R39-S43 WeakPolarHBondContact CG-O 3.34Å; R39-S43 PolarHBondContact NH1-O 2.99Å; I40-S43 PolarHBondContact N-OG 3.18Å; I40-S43 VanDerWaalsContact N-OG 3.11Å; I40-S43 WeakPolarHBondContact O-CB 3.39Å; I40-S43 PolarHBondContact O-N 2.89Å; I40-S43 PolarHBondContact O-OG 3.37Å; H41-S43 PolarHBondContact O-N 2.87Å | ||
| 44 | E | 87 | Confident | 90.1 | Very high | 142 Ų | 142 | 69.2 Ų | 69.2 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | trans | -53.6 | 157.9 | 169.2 | -72.1 | -67.6 | 102.6 | 0 | 0 | 112.7 | R39 V46 | R39-E44 IonicContact NH1-OE1 3.74Å; E44-V46 PolarHBondContact O-N 2.84Å | ||
| 45 | F | 88.1 | Confident | 90.2 | Very high | 133 Ų | 133 | 68.3 Ų | 68.3 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 119.4 | 175 | -166.7 | -100.9 | 0 | 0 | 0 | 109.2 | F37 G38 | F37-F45 HydrophobicContact CB-CE1 3.52Å; F37-F45 HydrophobicContact CB-CE2 4.23Å; F37-F45 HydrophobicContact CB-CZ 3.34Å; F37-F45 HydrophobicContact CD1-CE1 4.11Å; F37-F45 HydrophobicContact CG-CE1 4.17Å; F37-F45 HydrophobicContact CG-CZ 4.37Å; G38-F45 CarbonylContact O-C 3.59Å; G38-F45 WeakPolarHBondContact O-CA 3.35Å |
| 46 | V | 90.9 | Very high | 90.4 | Very high | 50 Ų | 50 | 65 Ų | 65 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152 | -173.9 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | F37 G38 I40 E44 I48 | F37-V46 WeakPolarHBondContact CA-O 3.26Å; G38-V46 PolarHBondContact N-O 3.16Å; G38-V46 WeakPolarHBondContact O-CG2 3.42Å; G38-V46 PolarHBondContact O-N 2.93Å; I40-V46 HydrophobicContact CD1-CG2 4.15Å; I40-V46 HydrophobicContact CG1-CG2 4.05Å; E44-V46 PolarHBondContact O-N 2.84Å; V46-I48 HydrophobicContact CG2-CG2 4.17Å |
| 47 | E | 92.5 | Very high | 90.8 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133.9 | 166 | -173.8 | 176.1 | 160.4 | 0 | 0 | 109.3 | T35 F37 H49 | T35-E47 HydrophobicContact CG2-CG 3.61Å; F37-E47 HydrophobicContact CD1-CB 4Å; F37-E47 HydrophobicContact CD1-CG 4.25Å; F37-E47 HydrophobicContact CE1-CB 3.81Å; F37-E47 HydrophobicContact CE1-CG 3.76Å; F37-E47 HydrophobicContact CZ-CG 4.18Å; E47-H49 IonicContact OE1-CE1 3.18Å; E47-H49 PolarHBondContact OE1-CE1 3.05Å; E47-H49 IonicContact OE1-NE2 3.06Å; E47-H49 PolarHBondContact OE1-NE2 2.99Å |
| 48 | I | 92.3 | Very high | 91 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.1 | 178.7 | 48.9 | 163.5 | 0 | 0 | 0 | 110.5 | S36 I40 V46 P50 Y105 | S36-I48 PolarHBondContact N-O 2.84Å; S36-I48 WeakPolarHBondContact O-CG1 3.34Å; S36-I48 PolarHBondContact O-N 2.9Å; I40-I48 HydrophobicContact CD1-CG2 3.82Å; I40-I48 HydrophobicContact CG1-CG2 4.46Å; V46-I48 HydrophobicContact CG2-CG2 4.17Å; I48-P50 VanDerWaalsContact C-CD 3.47Å; I48-P50 VanDerWaalsContact O-CD 3.24Å; I48-P50 WeakPolarHBondContact O-CD 3.39Å; I48-Y105 HydrophobicContact CB-CD2 4.45Å; I48-Y105 HydrophobicContact CB-CE2 4.39Å; I48-Y105 HydrophobicContact CG2-CE2 4.08Å |
| 49 | H | 96 | Very high | 91.5 | Very high | 46 Ų | 46 | 61.3 Ų | 61.3 | 21% | 0.213 | 31% | 0.314 | C | S | . | . | trans | -119 | 76.8 | -177.4 | -61.2 | 110.2 | 0 | 0 | 0 | 112 | I33 T34 T35 E47 S103 V104 Y105 | I33-H49 HydrophobicContact CG2-CB 3.75Å; T34-H49 VanDerWaalsContact O-CA 3.28Å; T34-H49 WeakPolarHBondContact O-CA 3.45Å; T35-H49 PolarHBondContact OG1-CD2 2.74Å; E47-H49 IonicContact OE1-CE1 3.18Å; E47-H49 PolarHBondContact OE1-CE1 3.05Å; E47-H49 IonicContact OE1-NE2 3.06Å; E47-H49 PolarHBondContact OE1-NE2 2.99Å; H49-S103 WeakPolarHBondContact CB-O 3.46Å; H49-V104 WeakPolarHBondContact O-CA 3.38Å; H49-Y105 PolarHBondContact O-N 2.8Å | ||
| 50 | P | 95.9 | Very high | 92 | Very high | 38 Ų | 38 | 59 Ų | 59 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 142.2 | 173.6 | 29.8 | -33.8 | 0 | 0 | 0 | 111.3 | T34 I48 Y105 | T34-P50 PolarHBondContact N-O 2.82Å; T34-P50 WeakPolarHBondContact O-CD 3.38Å; I48-P50 VanDerWaalsContact C-CD 3.47Å; I48-P50 VanDerWaalsContact O-CD 3.24Å; I48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-Y105 WeakPolarHBondContact CA-O 3.46Å |
| 51 | C | 97.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 154.2 | 167 | 74.8 | 0 | 0 | 0 | 0 | 111.5 | I30 Q32 I33 G53 V104 Y105 P107 | I30-C51 HydrophobicContact CG2-CB 3.63Å; Q32-C51 WeakPolarHBondContact O-CA 3.45Å; I33-C51 HydrophobicContact CG1-CB 4.2Å; C51-G53 VanDerWaalsContact C-N 3.34Å; C51-V104 HydrophobicContact CB-CG1 3.79Å; C51-Y105 PolarHBondContact N-O 2.91Å; C51-P107 WeakPolarHBondContact O-CD 3.49Å; C51-P107 WeakPolarHBondContact O-CG 3.43Å |
| 52 | A | 97.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 52 Ų | 52 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -17.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K31 Q32 | K31-A52 HydrophobicContact CD-CB 4.39Å; K31-A52 HydrophobicContact CG-CB 4.3Å; K31-A52 WeakPolarHBondContact O-CB 3.48Å; K31-A52 PolarHBondContact O-N 2.83Å; Q32-A52 HydrophobicContact CB-CB 4.23Å; Q32-A52 PolarHBondContact O-N 3.08Å |
| 53 | G | 97.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 160.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K31 C51 I136 | K31-G53 WeakPolarHBondContact CB-O 3.25Å; K31-G53 PolarHBondContact N-O 2.62Å; K31-G53 PolarHBondContact O-N 2.81Å; C51-G53 VanDerWaalsContact C-N 3.34Å; G53-I136 CarbonylContact C-O 3.47Å; G53-I136 VanDerWaalsContact CA-O 3.25Å; G53-I136 WeakPolarHBondContact CA-O 3.24Å |
| 54 | F | 98.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 142.4 | -175 | 172.3 | -100.6 | 0 | 0 | 0 | 110.4 | F10 L28 W29 I30 I56 M92 F106 V135 I136 | F10-F54 HydrophobicContact CE1-CE1 4Å; F10-F54 AromaticContact CE1-CZ 3.72Å; F10-F54 HydrophobicContact CE1-CZ 3.72Å; F10-F54 HydrophobicContact CZ-CE1 4.3Å; F10-F54 AromaticContact CZ-CZ 3.77Å; F10-F54 HydrophobicContact CZ-CZ 3.77Å; L28-F54 HydrophobicContact CD1-CD2 4.47Å; L28-F54 HydrophobicContact CD1-CE2 3.58Å; L28-F54 HydrophobicContact CD1-CZ 4.13Å; W29-F54 WeakPolarHBondContact O-CA 3.26Å; I30-F54 HydrophobicContact CG1-CD2 4.11Å; I30-F54 HydrophobicContact CG1-CE2 4.45Å; F54-I56 HydrophobicContact CE1-CB 3.91Å; F54-I56 HydrophobicContact CE1-CG2 3.46Å; F54-I56 VanDerWaalsContact CE1-CG2 3.46Å; F54-I56 HydrophobicContact CE2-CB 4.4Å; F54-I56 HydrophobicContact CZ-CB 3.59Å; F54-I56 HydrophobicContact CZ-CD1 4.13Å; F54-I56 HydrophobicContact CZ-CG1 4.41Å; F54-I56 HydrophobicContact CZ-CG2 3.56Å; F54-M92 HydrophobicContact CD2-CE 4.26Å; F54-M92 HydrophobicContact CE2-CE 4.02Å; F54-M92 HydrophobicContact CE2-SD 3.89Å; F54-M92 HydrophobicContact CZ-SD 4.42Å; F54-F106 HydrophobicContact CB-CD1 3.65Å; F54-F106 HydrophobicContact CB-CE1 3.56Å; F54-F106 HydrophobicContact CD1-CD1 4.46Å; F54-F106 AromaticContact CD1-CE1 3.9Å; F54-F106 HydrophobicContact CD1-CE1 3.9Å; F54-F106 HydrophobicContact CD1-CZ 4.17Å; F54-F106 HydrophobicContact CD2-CD1 4.47Å; F54-F106 AromaticContact CD2-CE1 3.53Å; F54-F106 HydrophobicContact CD2-CE1 3.53Å; F54-F106 HydrophobicContact CD2-CZ 4.1Å; F54-F106 HydrophobicContact CE1-CE1 4.45Å; F54-F106 HydrophobicContact CE1-CZ 4.33Å; F54-F106 HydrophobicContact CE2-CE1 4.12Å; F54-F106 HydrophobicContact CE2-CZ 4.24Å; F54-F106 AromaticContact CG-CD1 3.97Å; F54-F106 HydrophobicContact CG-CD1 3.97Å; F54-F106 AromaticContact CG-CE1 3.38Å; F54-F106 HydrophobicContact CG-CE1 3.38Å; F54-F106 HydrophobicContact CG-CZ 4.04Å; F54-F106 HydrophobicContact CZ-CZ 4.36Å; F54-V135 CarbonylContact O-C 3.56Å; F54-V135 WeakPolarHBondContact O-CA 3.44Å; F54-I136 HydrophobicContact CB-CB 4.29Å; F54-I136 HydrophobicContact CD1-CD1 4.09Å; F54-I136 HydrophobicContact CD1-CG1 4.16Å; F54-I136 PolarHBondContact N-O 3.11Å; F54-I136 PolarHBondContact O-N 3.41Å |
| 55 | K | 98.3 | Very high | 92.3 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.5 | 165.9 | 62.6 | 168.1 | -170.7 | 146.7 | 0 | 111 | D27 W29 I134 V135 V145 Y146 | D27-K55 WeakPolarHBondContact OD2-CE 3.3Å; D27-K55 IonicContact OD2-NZ 2.77Å; D27-K55 PolarHBondContact OD2-NZ 3.26Å; W29-K55 HydrophobicContact CB-CD 4.22Å; W29-K55 HydrophobicContact CB-CG 3.67Å; W29-K55 PolarHBondContact N-O 2.91Å; W29-K55 PolarHBondContact O-N 2.86Å; K55-I134 CarbonylContact C-O 3.53Å; K55-I134 VanDerWaalsContact CA-O 3.25Å; K55-I134 WeakPolarHBondContact CA-O 3.39Å; K55-V135 HydrophobicContact CB-CG2 4.02Å; K55-V145 HydrophobicContact CD-CG1 3.48Å; K55-V145 VanDerWaalsContact CD-CG1 3.48Å; K55-Y146 HydrophobicContact CB-CE2 4.11Å; K55-Y146 HydrophobicContact CD-CE2 4.49Å |
| 56 | I | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 147.3 | 178.7 | -166.9 | 174.9 | 0 | 0 | 0 | 111 | L8 F10 I25 D27 L28 F54 I58 Y133 I134 Y146 | L8-I56 HydrophobicContact CD1-CD1 3.73Å; F10-I56 HydrophobicContact CZ-CD1 4.11Å; I25-I56 HydrophobicContact CD1-CD1 4.24Å; I25-I56 HydrophobicContact CG1-CD1 4.14Å; I25-I56 HydrophobicContact CG2-CD1 3.96Å; I25-I56 HydrophobicContact CG2-CG1 3.95Å; D27-I56 CarbonylContact O-C 3.55Å; D27-I56 VanDerWaalsContact O-CA 3.31Å; D27-I56 WeakPolarHBondContact O-CA 3.4Å; D27-I56 WeakPolarHBondContact O-CG1 3.15Å; L28-I56 HydrophobicContact CD1-CB 4.19Å; L28-I56 HydrophobicContact CD1-CD1 4.04Å; L28-I56 HydrophobicContact CD1-CG1 4.02Å; F54-I56 HydrophobicContact CE1-CB 3.91Å; F54-I56 HydrophobicContact CE1-CG2 3.46Å; F54-I56 VanDerWaalsContact CE1-CG2 3.46Å; F54-I56 HydrophobicContact CE2-CB 4.4Å; F54-I56 HydrophobicContact CZ-CB 3.59Å; F54-I56 HydrophobicContact CZ-CD1 4.13Å; F54-I56 HydrophobicContact CZ-CG1 4.41Å; F54-I56 HydrophobicContact CZ-CG2 3.56Å; I56-I58 HydrophobicContact CD1-CD1 4.21Å; I56-I58 HydrophobicContact CD1-CG1 3.87Å; I56-I58 HydrophobicContact CG1-CG1 4.04Å; I56-I58 HydrophobicContact CG2-CD1 4.05Å; I56-I58 HydrophobicContact CG2-CG1 4.39Å; I56-Y133 WeakPolarHBondContact O-CA 3.42Å; I56-I134 HydrophobicContact CG2-CB 3.86Å; I56-I134 HydrophobicContact CG2-CD1 4.3Å; I56-I134 HydrophobicContact CG2-CG1 4.29Å; I56-I134 PolarHBondContact N-O 2.93Å; I56-I134 PolarHBondContact O-N 3.06Å; I56-Y146 PolarHBondContact N-OH 2.63Å |
| 57 | E | 98.3 | Very high | 89.5 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.5 | 160.4 | 178.1 | -166.7 | -170.6 | 0 | 0 | 108.9 | G26 D27 Y59 S131 L132 Y133 | G26-E57 PolarHBondContact N-O 3.11Å; D27-E57 HydrophobicContact CB-CB 4.12Å; D27-E57 PolarHBondContact N-OE2 2.78Å; D27-E57 PolarHBondContact O-N 2.96Å; E57-Y59 HydrophobicContact CG-CD1 4.48Å; E57-Y59 HydrophobicContact CG-CE1 4.38Å; E57-Y59 WeakPolarHBondContact OE1-CE1 3.44Å; E57-S131 PolarHBondContact OE1-OG 2.97Å; E57-S131 VanDerWaalsContact OE1-OG 3.06Å; E57-L132 CarbonylContact C-O 3.6Å; E57-L132 WeakPolarHBondContact CA-O 3.38Å; E57-Y133 HydrophobicContact CB-CD1 3.96Å; E57-Y133 HydrophobicContact CB-CE1 3.74Å; E57-Y133 HydrophobicContact CG-CD1 4.11Å; E57-Y133 HydrophobicContact CG-CE1 3.54Å; E57-Y133 PolarHBondContact OE1-OH 2.98Å |
| 58 | I | 97.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.3 | 175.6 | -58 | 147.6 | 0 | 0 | 0 | 108.2 | W18 I20 Y24 I56 F80 S131 L132 I134 | W18-I58 HydrophobicContact CH2-CD1 3.64Å; W18-I58 HydrophobicContact CZ2-CD1 4.41Å; W18-I58 HydrophobicContact CZ2-CG2 4.4Å; W18-I58 HydrophobicContact CZ3-CD1 4.02Å; I20-I58 HydrophobicContact CD1-CB 4.43Å; I20-I58 HydrophobicContact CD1-CD1 3.25Å; I20-I58 HydrophobicContact CD1-CG1 3.63Å; I20-I58 HydrophobicContact CD1-CG2 3.96Å; I20-I58 HydrophobicContact CG2-CG2 3.93Å; Y24-I58 CarbonylContact O-C 3.55Å; Y24-I58 WeakPolarHBondContact O-CA 3.37Å; I56-I58 HydrophobicContact CD1-CD1 4.21Å; I56-I58 HydrophobicContact CD1-CG1 3.87Å; I56-I58 HydrophobicContact CG1-CG1 4.04Å; I56-I58 HydrophobicContact CG2-CD1 4.05Å; I56-I58 HydrophobicContact CG2-CG1 4.39Å; I58-F80 HydrophobicContact CB-CE1 4.29Å; I58-F80 HydrophobicContact CB-CZ 4.2Å; I58-F80 HydrophobicContact CG2-CE1 3.74Å; I58-F80 HydrophobicContact CG2-CZ 3.8Å; I58-F80 WeakPolarHBondContact O-CZ 3.25Å; I58-S131 CarbonylContact O-C 3.55Å; I58-S131 WeakPolarHBondContact O-CA 3.21Å; I58-S131 VanDerWaalsContact O-CB 3.3Å; I58-S131 WeakPolarHBondContact O-CB 3.37Å; I58-L132 HydrophobicContact CB-CB 4.34Å; I58-L132 HydrophobicContact CD1-CD2 4.02Å; I58-L132 PolarHBondContact N-O 2.79Å; I58-L132 PolarHBondContact O-N 2.84Å; I58-I134 HydrophobicContact CD1-CD1 4.13Å |
| 59 | Y | 96.5 | Very high | 86.2 | Confident | 90 Ų | 90 | 50 Ų | 50 | 35% | 0.353 | 26% | 0.262 | S | S | . | . | trans | -66.5 | 150.3 | 177.5 | -54.8 | -42 | 0 | 0 | 0 | 111.4 | Y24 G26 E57 E61 G62 F80 | Y24-Y59 PolarHBondContact O-N 3.48Å; G26-Y59 VanDerWaalsContact CA-CZ 3.44Å; G26-Y59 VanDerWaalsContact CA-OH 3.25Å; G26-Y59 WeakPolarHBondContact CA-OH 3.22Å; E57-Y59 HydrophobicContact CG-CD1 4.48Å; E57-Y59 HydrophobicContact CG-CE1 4.38Å; E57-Y59 WeakPolarHBondContact OE1-CE1 3.44Å; Y59-E61 VanDerWaalsContact CB-OE2 3.26Å; Y59-E61 WeakPolarHBondContact CB-OE2 3.36Å; Y59-E61 PolarHBondContact O-N 2.91Å; Y59-G62 PolarHBondContact O-N 2.94Å; Y59-F80 WeakPolarHBondContact O-CZ 3.43Å | ||
| 60 | Q | 94.4 | Very high | 84 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -51.3 | -29.8 | -175.9 | 68 | -179.7 | -7.3 | 0 | 0 | 114.1 | G62 D63 K130 | Q60-G62 PolarHBondContact O-N 2.77Å; Q60-G62 VanDerWaalsContact O-N 3.16Å; Q60-D63 VanDerWaalsContact O-CB 3.26Å; Q60-D63 WeakPolarHBondContact O-CB 3.43Å; Q60-D63 PolarHBondContact O-N 2.88Å; Q60-K130 HydrophobicContact CB-CB 3.96Å |
| 61 | E | 90.3 | Very high | 82 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -65.6 | -16.2 | 178.3 | -61 | 78.1 | -170.5 | 0 | 0 | 112.6 | Y24 Y59 H64 | Y24-E61 HydrophobicContact CD1-CB 3.71Å; Y24-E61 HydrophobicContact CE1-CB 3.54Å; Y59-E61 VanDerWaalsContact CB-OE2 3.26Å; Y59-E61 WeakPolarHBondContact CB-OE2 3.36Å; Y59-E61 PolarHBondContact O-N 2.91Å; E61-H64 PolarHBondContact O-CD2 3.19Å |
| 62 | G | 88.5 | Confident | 79.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -84.2 | -4.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y59 Q60 H64 | Y59-G62 PolarHBondContact O-N 2.94Å; Q60-G62 PolarHBondContact O-N 2.77Å; Q60-G62 VanDerWaalsContact O-N 3.16Å; G62-H64 PolarHBondContact O-N 3.28Å |
| 63 | D | 88.7 | Confident | 77.5 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -72.1 | -9.7 | 178.4 | -169.9 | 25.4 | 0 | 0 | 0 | 113 | Q60 G78 M79 F80 | Q60-D63 VanDerWaalsContact O-CB 3.26Å; Q60-D63 WeakPolarHBondContact O-CB 3.43Å; Q60-D63 PolarHBondContact O-N 2.88Å; D63-G78 WeakPolarHBondContact OD1-CA 3.36Å; D63-M79 PolarHBondContact O-N 2.84Å; D63-M79 PolarHBondContact OD1-N 2.64Å; D63-F80 HydrophobicContact CB-CD1 3.7Å; D63-F80 HydrophobicContact CB-CD2 4.06Å; D63-F80 HydrophobicContact CB-CE1 3.84Å; D63-F80 HydrophobicContact CB-CE2 4.2Å; D63-F80 HydrophobicContact CB-CG 3.83Å; D63-F80 HydrophobicContact CB-CZ 4.1Å; D63-F80 VanDerWaalsContact OD1-CB 3.31Å; D63-F80 WeakPolarHBondContact OD1-CB 3.48Å; D63-F80 WeakPolarHBondContact OD1-CD1 3.37Å; D63-F80 WeakPolarHBondContact OD1-CG 3.17Å; D63-F80 PolarHBondContact OD1-N 2.91Å | ||
| 64 | H | 77.2 | Confident | 75.2 | Confident | 140 Ų | 140 | 64.7 Ų | 64.7 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -73.7 | 131.6 | 177.3 | -62 | -47.6 | 0 | 0 | 0 | 112.3 | E61 G62 Q66 | E61-H64 PolarHBondContact O-CD2 3.19Å; G62-H64 PolarHBondContact O-N 3.28Å; H64-Q66 PolarHBondContact O-N 2.77Å |
| 65 | V | 64.4 | Low | 73.1 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 24% | 0.242 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -70 | 118.8 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 109 | I70 M79 | V65-I70 HydrophobicContact CG1-CG1 4.01Å; V65-M79 HydrophobicContact CG2-CE 3.77Å; V65-M79 HydrophobicContact CG2-CG 3.9Å; V65-M79 HydrophobicContact CG2-SD 4.29Å |
| 66 | Q | 64.3 | Low | 71.1 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 135 | 167.3 | -64.3 | -157.6 | 13.9 | 0 | 0 | 109 | D21 H64 T68 D69 | D21-Q66 PolarHBondContact OD1-NE2 3.44Å; H64-Q66 PolarHBondContact O-N 2.77Å; Q66-T68 PolarHBondContact O-N 3.23Å; Q66-D69 PolarHBondContact O-N 3.22Å |
| 67 | T | 55.2 | Low | 69.6 | Low | 124 Ų | 124 | 81.7 Ų | 81.7 | 76% | 0.761 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -54.7 | -22.1 | -176.4 | 22.3 | 0 | 0 | 0 | 0 | 114.7 | I70 | T67-I70 HydrophobicContact CG2-CD1 4.08Å; T67-I70 WeakPolarHBondContact O-CD1 3.3Å; T67-I70 WeakPolarHBondContact O-CG1 3.42Å |
| 68 | T | 57.4 | Low | 69 | Low | 118 Ų | 118 | 80.8 Ų | 80.8 | 72% | 0.724 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -81.9 | -13.7 | 178.2 | 40.4 | 0 | 0 | 0 | 0 | 114.7 | Q66 | Q66-T68 PolarHBondContact O-N 3.23Š|
| 69 | D | 57.4 | Low | 68.6 | Low | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.08 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -92.3 | 4.5 | 178.5 | -76.6 | -40.9 | 0 | 0 | 0 | 112.6 | T17 T19 Q66 N71 | T17-D69 WeakPolarHBondContact O-CB 3.16Å; T17-D69 PolarHBondContact OG1-OD1 3.06Å; T19-D69 VanDerWaalsContact CB-OD2 3.28Å; T19-D69 WeakPolarHBondContact CB-OD2 3.49Å; T19-D69 PolarHBondContact N-OD2 3.14Å; T19-D69 PolarHBondContact OG1-OD1 3.37Å; T19-D69 PolarHBondContact OG1-OD2 2.92Å; Q66-D69 PolarHBondContact O-N 3.22Å; D69-N71 PolarHBondContact O-N 3.46Å |
| 70 | I | 51.5 | Low | 68.5 | Low | 73 Ų | 73 | 77.5 Ų | 77.5 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | trans | -79.2 | 94.2 | -173.2 | -55.4 | 171.6 | 0 | 0 | 0 | 110.8 | V65 T67 L75 | V65-I70 HydrophobicContact CG1-CG1 4.01Å; T67-I70 HydrophobicContact CG2-CD1 4.08Å; T67-I70 WeakPolarHBondContact O-CD1 3.3Å; T67-I70 WeakPolarHBondContact O-CG1 3.42Å; I70-L75 HydrophobicContact CD1-CD1 4.19Å; I70-L75 HydrophobicContact CG1-CD1 4.44Å; I70-L75 HydrophobicContact CG2-CD1 3.93Å | ||
| 71 | N | 53.2 | Low | 68.3 | Low | 113 Ų | 113 | 76 Ų | 76 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | trans | -118.5 | 98.2 | 154.1 | -77.9 | -40.5 | 0 | 0 | 0 | 108.7 | D69 | D69-N71 PolarHBondContact O-N 3.46Š| ||
| 72 | L | 48.6 | Very low | 68.3 | Low | 156 Ų | 156 | 72.8 Ų | 72.8 | 82% | 0.817 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 54.9 | 98.5 | 157.6 | -71.8 | 129.4 | 0 | 0 | 0 | 118.7 | ||
| 73 | G | 51.8 | Low | 68.5 | Low | 75 Ų | 75 | 72.6 Ų | 72.6 | 77% | 0.773 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 114.7 | -27.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L75 | G73-L75 PolarHBondContact O-N 3.25Š|
| 74 | G | 49.4 | Very low | 68.7 | Low | 23 Ų | 23 | 76 Ų | 76 | 24% | 0.237 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -79.3 | -2.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E76 | G74-E76 VanDerWaalsContact C-N 3.3Å; G74-E76 PolarHBondContact O-N 2.8Å |
| 75 | L | 54 | Low | 69.3 | Low | 110 Ų | 110 | 75.3 Ų | 75.3 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -66.9 | -22.8 | -171 | -94.8 | 154.1 | 0 | 0 | 0 | 114.8 | I70 G73 | I70-L75 HydrophobicContact CD1-CD1 4.19Å; I70-L75 HydrophobicContact CG1-CD1 4.44Å; I70-L75 HydrophobicContact CG2-CD1 3.93Å; G73-L75 PolarHBondContact O-N 3.25Å |
| 76 | E | 56.1 | Low | 70.7 | Confident | 190 Ų | 190 | 77.8 Ų | 77.8 | 89% | 0.888 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -84.9 | -20 | -172.7 | -65.2 | -158.2 | 153.2 | 0 | 0 | 114.6 | G74 | G74-E76 VanDerWaalsContact C-N 3.3Å; G74-E76 PolarHBondContact O-N 2.8Å |
| 77 | L | 66.4 | Low | 72.1 | Confident | 115 Ų | 115 | 76.5 Ų | 76.5 | 60% | 0.602 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -12.2 | -170.7 | -74.9 | 163.8 | 0 | 0 | 0 | 115.1 | E81 | L77-E81 HydrophobicContact CB-CB 4.07Å; L77-E81 WeakPolarHBondContact O-CB 3.49Å |
| 78 | G | 85.4 | Confident | 74 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 13% | 0.134 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | 79.9 | 159.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D63 F80 R82 | D63-G78 WeakPolarHBondContact OD1-CA 3.36Å; G78-F80 VanDerWaalsContact C-N 3.3Å; G78-R82 PolarHBondContact O-N 3.29Å |
| 79 | M | 89.9 | Confident | 75.8 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.064 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.9 | -24 | -177.7 | -69.3 | -65.8 | 94.5 | 0 | 0 | 112.9 | W18 D63 V65 R82 A83 | W18-M79 HydrophobicContact CB-SD 4.3Å; W18-M79 HydrophobicContact CD2-CB 3.84Å; W18-M79 HydrophobicContact CD2-CG 4.24Å; W18-M79 VanDerWaalsContact CE2-CB 3.46Å; W18-M79 HydrophobicContact CE3-CB 4.43Å; W18-M79 HydrophobicContact CG-CB 4.16Å; W18-M79 HydrophobicContact CG-CG 4.01Å; W18-M79 HydrophobicContact CG-SD 4.2Å; W18-M79 HydrophobicContact CH2-CB 4.32Å; W18-M79 HydrophobicContact CZ2-CB 3.74Å; D63-M79 PolarHBondContact O-N 2.84Å; D63-M79 PolarHBondContact OD1-N 2.64Å; V65-M79 HydrophobicContact CG2-CE 3.77Å; V65-M79 HydrophobicContact CG2-CG 3.9Å; V65-M79 HydrophobicContact CG2-SD 4.29Å; M79-R82 HydrophobicContact CE-CB 4.04Å; M79-R82 HydrophobicContact CE-CG 4.25Å; M79-R82 PolarHBondContact O-N 3.05Å; M79-A83 WeakPolarHBondContact O-CB 3.45Å; M79-A83 PolarHBondContact O-N 3.32Å |
| 80 | F | 93.9 | Very high | 77.6 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.5 | -48.3 | 177.4 | -76.3 | 19.5 | 0 | 0 | 0 | 110.8 | W18 I58 Y59 D63 G78 R82 A83 R84 V125 K130 L132 | W18-F80 AromaticContact CH2-CD1 3.81Å; W18-F80 HydrophobicContact CH2-CD1 3.81Å; W18-F80 AromaticContact CH2-CE1 3.84Å; W18-F80 HydrophobicContact CH2-CE1 3.84Å; W18-F80 AromaticContact CZ2-CD1 3.9Å; W18-F80 HydrophobicContact CZ2-CD1 3.9Å; W18-F80 AromaticContact CZ2-CE1 3.77Å; W18-F80 HydrophobicContact CZ2-CE1 3.77Å; I58-F80 HydrophobicContact CB-CE1 4.29Å; I58-F80 HydrophobicContact CB-CZ 4.2Å; I58-F80 HydrophobicContact CG2-CE1 3.74Å; I58-F80 HydrophobicContact CG2-CZ 3.8Å; I58-F80 WeakPolarHBondContact O-CZ 3.25Å; Y59-F80 WeakPolarHBondContact O-CZ 3.43Å; D63-F80 HydrophobicContact CB-CD1 3.7Å; D63-F80 HydrophobicContact CB-CD2 4.06Å; D63-F80 HydrophobicContact CB-CE1 3.84Å; D63-F80 HydrophobicContact CB-CE2 4.2Å; D63-F80 HydrophobicContact CB-CG 3.83Å; D63-F80 HydrophobicContact CB-CZ 4.1Å; D63-F80 VanDerWaalsContact OD1-CB 3.31Å; D63-F80 WeakPolarHBondContact OD1-CB 3.48Å; D63-F80 WeakPolarHBondContact OD1-CD1 3.37Å; D63-F80 WeakPolarHBondContact OD1-CG 3.17Å; D63-F80 PolarHBondContact OD1-N 2.91Å; G78-F80 VanDerWaalsContact C-N 3.3Å; F80-R82 VanDerWaalsContact C-N 3.29Å; F80-R82 PolarHBondContact O-N 2.94Å; F80-A83 PolarHBondContact O-N 2.8Å; F80-R84 VanDerWaalsContact O-CB 3.27Å; F80-R84 WeakPolarHBondContact O-CB 3.31Å; F80-R84 PolarHBondContact O-N 3.36Å; F80-V125 HydrophobicContact CB-CG2 4.1Å; F80-V125 HydrophobicContact CD2-CG2 4.15Å; F80-K130 WeakPolarHBondContact CE2-O 3.45Å; F80-L132 HydrophobicContact CB-CD1 4.15Å; F80-L132 HydrophobicContact CD1-CB 3.91Å; F80-L132 HydrophobicContact CD1-CD2 3.94Å; F80-L132 HydrophobicContact CD1-CG 4.39Å; F80-L132 HydrophobicContact CD2-CB 3.73Å; F80-L132 HydrophobicContact CD2-CD1 4.5Å; F80-L132 HydrophobicContact CE1-CB 3.81Å; F80-L132 HydrophobicContact CE1-CD2 4.26Å; F80-L132 HydrophobicContact CE2-CB 3.61Å; F80-L132 HydrophobicContact CG-CB 3.86Å; F80-L132 HydrophobicContact CG-CD1 4.2Å; F80-L132 HydrophobicContact CG-CD2 4.32Å; F80-L132 HydrophobicContact CG-CG 4.37Å; F80-L132 HydrophobicContact CZ-CB 3.64Å |
| 81 | E | 90.4 | Very high | 79.7 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | 174.7 | -77.3 | -61.3 | 122.2 | 0 | 0 | 111.7 | L77 R84 K85 | L77-E81 HydrophobicContact CB-CB 4.07Å; L77-E81 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.36Å; E81-R84 IonicContact OE1-CZ 2.93Å; E81-R84 IonicContact OE1-NE 2.77Å; E81-R84 PolarHBondContact OE1-NE 3.4Å; E81-R84 IonicContact OE1-NH2 3.33Å; E81-R84 IonicContact OE2-CZ 3.22Å; E81-R84 IonicContact OE2-NE 3.59Å; E81-R84 PolarHBondContact OE2-NE 2.78Å; E81-R84 IonicContact OE2-NH2 3.67Å; E81-R84 PolarHBondContact OE2-NH2 2.88Å; E81-K85 WeakPolarHBondContact O-CB 3.43Å; E81-K85 PolarHBondContact O-N 3.28Å |
| 82 | R | 90.9 | Very high | 81.8 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | 173.6 | 171.9 | 57.6 | -171.2 | 76.6 | -5.4 | 112 | N14 E16 G78 M79 F80 R84 K85 F86 D88 | N14-R82 PolarHBondContact ND2-NH2 3.49Å; N14-R82 VanDerWaalsContact ND2-NH2 3.14Å; E16-R82 IonicContact OE2-CZ 3.49Å; E16-R82 IonicContact OE2-NE 2.82Å; E16-R82 PolarHBondContact OE2-NE 2.85Å; E16-R82 IonicContact OE2-NH2 3.37Å; E16-R82 PolarHBondContact OE2-NH2 2.9Å; G78-R82 PolarHBondContact O-N 3.29Å; M79-R82 HydrophobicContact CE-CB 4.04Å; M79-R82 HydrophobicContact CE-CG 4.25Å; M79-R82 PolarHBondContact O-N 3.05Å; F80-R82 VanDerWaalsContact C-N 3.29Å; F80-R82 PolarHBondContact O-N 2.94Å; R82-R84 VanDerWaalsContact C-N 3.3Å; R82-R84 PolarHBondContact O-N 3.43Å; R82-K85 PolarHBondContact O-N 3.41Å; R82-F86 PolarHBondContact NH1-O 2.75Å; R82-F86 PolarHBondContact O-N 2.85Å; R82-D88 IonicContact CZ-OD1 3.25Å; R82-D88 VanDerWaalsContact CZ-OD1 3.25Å; R82-D88 IonicContact CZ-OD2 3.94Å; R82-D88 IonicContact NH1-OD1 3.83Å; R82-D88 PolarHBondContact NH1-OD1 2.91Å; R82-D88 IonicContact NH2-OD1 2.81Å; R82-D88 PolarHBondContact NH2-OD1 3.44Å; R82-D88 IonicContact NH2-OD2 2.86Å; R82-D88 PolarHBondContact NH2-OD2 2.86Å |
| 83 | A | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.1 | -30.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W18 M79 F80 T123 L132 | W18-A83 HydrophobicContact CZ3-CB 4.13Å; M79-A83 WeakPolarHBondContact O-CB 3.45Å; M79-A83 PolarHBondContact O-N 3.32Å; F80-A83 PolarHBondContact O-N 2.8Å; A83-T123 HydrophobicContact CB-CG2 4.22Å; A83-T123 PolarHBondContact O-OG1 3.4Å; A83-L132 HydrophobicContact CB-CD2 4.01Å |
| 84 | R | 92.7 | Very high | 86.3 | Confident | 122 Ų | 122 | 50.7 Ų | 50.7 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.9 | -37 | 175.6 | -168.5 | -178.1 | 76.1 | 83.8 | 2.1 | 112.8 | F80 E81 R82 T123 | F80-R84 VanDerWaalsContact O-CB 3.27Å; F80-R84 WeakPolarHBondContact O-CB 3.31Å; F80-R84 PolarHBondContact O-N 3.36Å; E81-R84 PolarHBondContact O-N 3.36Å; E81-R84 IonicContact OE1-CZ 2.93Å; E81-R84 IonicContact OE1-NE 2.77Å; E81-R84 PolarHBondContact OE1-NE 3.4Å; E81-R84 IonicContact OE1-NH2 3.33Å; E81-R84 IonicContact OE2-CZ 3.22Å; E81-R84 IonicContact OE2-NE 3.59Å; E81-R84 PolarHBondContact OE2-NE 2.78Å; E81-R84 IonicContact OE2-NH2 3.67Å; E81-R84 PolarHBondContact OE2-NH2 2.88Å; R82-R84 VanDerWaalsContact C-N 3.3Å; R82-R84 PolarHBondContact O-N 3.43Å; R84-T123 HydrophobicContact CB-CG2 4.33Å |
| 85 | K | 90.7 | Very high | 88.5 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 54% | 0.543 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -84.5 | -36.2 | -173.7 | -173.6 | 174.2 | 178.5 | -179.1 | 0 | 113.1 | E81 R82 | E81-K85 WeakPolarHBondContact O-CB 3.43Å; E81-K85 PolarHBondContact O-N 3.28Å; R82-K85 PolarHBondContact O-N 3.41Å |
| 86 | F | 91.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | trans | -127.4 | 115.1 | 174.3 | -38 | -93.8 | 0 | 0 | 0 | 108.5 | R82 D88 | R82-F86 PolarHBondContact NH1-O 2.75Å; R82-F86 PolarHBondContact O-N 2.85Å; F86-D88 VanDerWaalsContact C-N 3.26Å; F86-D88 PolarHBondContact O-N 3.22Å; F86-D88 VanDerWaalsContact O-OD1 3.11Å | ||
| 87 | E | 94.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | trans | -95.7 | 57 | -170.4 | -65.8 | -168.2 | 121.1 | 0 | 0 | 109.4 | D117 N118 Q121 S122 T123 | E87-D117 PolarHBondContact N-OD1 2.93Å; E87-N118 WeakPolarHBondContact O-CA 3.35Å; E87-N118 WeakPolarHBondContact O-CB 3.3Å; E87-N118 PolarHBondContact O-N 2.99Å; E87-Q121 VanDerWaalsContact C-OE1 3.26Å; E87-Q121 HydrophobicContact CB-CB 4.03Å; E87-Q121 HydrophobicContact CB-CG 3.85Å; E87-Q121 HydrophobicContact CG-CG 4.35Å; E87-Q121 PolarHBondContact O-OE1 3.21Å; E87-S122 VanDerWaalsContact OE1-C 3.3Å; E87-S122 WeakPolarHBondContact OE1-CA 3.14Å; E87-T123 WeakPolarHBondContact OE1-CB 3.39Å; E87-T123 PolarHBondContact OE1-N 3.32Å; E87-T123 PolarHBondContact OE1-OG1 2.75Å | ||
| 88 | D | 94.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -115.5 | 29 | -164 | 67.2 | -34.3 | 0 | 0 | 0 | 113.3 | F12 R13 R82 F86 E90 L116 | F12-D88 CarbonylContact C-O 3.56Å; F12-D88 WeakPolarHBondContact CA-O 3.5Å; F12-D88 WeakPolarHBondContact CD1-OD1 3.44Å; R13-D88 HydrophobicContact CB-CB 3.93Å; R13-D88 PolarHBondContact N-O 3.2Å; R82-D88 IonicContact CZ-OD1 3.25Å; R82-D88 VanDerWaalsContact CZ-OD1 3.25Å; R82-D88 IonicContact CZ-OD2 3.94Å; R82-D88 IonicContact NH1-OD1 3.83Å; R82-D88 PolarHBondContact NH1-OD1 2.91Å; R82-D88 IonicContact NH2-OD1 2.81Å; R82-D88 PolarHBondContact NH2-OD1 3.44Å; R82-D88 IonicContact NH2-OD2 2.86Å; R82-D88 PolarHBondContact NH2-OD2 2.86Å; F86-D88 VanDerWaalsContact C-N 3.26Å; F86-D88 PolarHBondContact O-N 3.22Å; F86-D88 VanDerWaalsContact O-OD1 3.11Å; D88-E90 PolarHBondContact O-N 3.32Å; D88-L116 HydrophobicContact CB-CB 4.2Å; D88-L116 WeakPolarHBondContact CB-O 3.37Å | ||
| 89 | I | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 120.4 | 176.3 | -57.6 | 173.8 | 0 | 0 | 0 | 109 | F10 F12 F106 Q121 I134 I136 | F10-I89 HydrophobicContact CB-CG2 4.32Å; F10-I89 HydrophobicContact CD1-CD1 4.38Å; F10-I89 HydrophobicContact CD1-CG2 3.75Å; F10-I89 HydrophobicContact CG-CG2 4.45Å; F12-I89 HydrophobicContact CD1-CG1 3.66Å; F12-I89 HydrophobicContact CE1-CD1 4.08Å; F12-I89 HydrophobicContact CE1-CG1 3.48Å; F12-I89 VanDerWaalsContact CE1-CG1 3.48Å; F12-I89 HydrophobicContact CZ-CG1 4.38Å; I89-F106 HydrophobicContact CG2-CD2 3.71Å; I89-F106 HydrophobicContact CG2-CE2 3.51Å; I89-Q121 VanDerWaalsContact CB-OE1 3.23Å; I89-I134 HydrophobicContact CD1-CD1 3.87Å; I89-I136 HydrophobicContact CB-CD1 4.14Å; I89-I136 HydrophobicContact CG2-CD1 4.2Å |
| 90 | E | 94.8 | Very high | 93.8 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -36.6 | -178.3 | 52.7 | 157.5 | -136.1 | 0 | 0 | 113.5 | Y11 R13 D88 F106 Y108 | Y11-E90 VanDerWaalsContact O-CG 3.29Å; Y11-E90 WeakPolarHBondContact O-CG 3.4Å; Y11-E90 PolarHBondContact O-N 2.85Å; R13-E90 WeakPolarHBondContact CD-OE2 3.27Å; R13-E90 IonicContact CZ-OE2 3.85Å; R13-E90 IonicContact NH1-OE2 2.84Å; R13-E90 PolarHBondContact NH1-OE2 3.17Å; D88-E90 PolarHBondContact O-N 3.32Å; E90-F106 PolarHBondContact O-N 2.81Å; E90-F106 VanDerWaalsContact O-N 3.11Å; E90-Y108 HydrophobicContact CB-CD2 4.34Å |
| 91 | R | 96 | Very high | 93.8 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.5 | -177 | 66.2 | -170.6 | -179.5 | 111.9 | 6.3 | 111.2 | Y11 V104 Y105 | Y11-R91 HydrophobicContact CD2-CG 3.96Å; Y11-R91 HydrophobicContact CG-CG 4.1Å; Y11-R91 PolarHBondContact N-O 2.99Å; R91-V104 CarbonylContact C-O 3.55Å; R91-V104 VanDerWaalsContact CA-O 3.28Å; R91-V104 WeakPolarHBondContact CA-O 3.39Å; R91-V104 VanDerWaalsContact CB-O 3.3Å; R91-V104 WeakPolarHBondContact CB-O 3.35Å; R91-Y105 HydrophobicContact CB-CD1 3.92Å; R91-Y105 HydrophobicContact CB-CE1 4.23Å; R91-Y105 HydrophobicContact CB-CG 4.26Å; R91-Y105 VanDerWaalsContact CD-CE1 3.45Å; R91-Y105 HydrophobicContact CG-CE1 4.45Å |
| 92 | M | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.6 | 169.1 | 70 | 174.2 | 177.5 | 0 | 0 | 111.6 | L8 K9 F10 I30 F54 I94 S103 V104 F106 | L8-M92 HydrophobicContact CD1-SD 4.11Å; L8-M92 HydrophobicContact CD2-SD 3.88Å; L8-M92 HydrophobicContact CG-SD 4.46Å; K9-M92 CarbonylContact O-C 3.56Å; K9-M92 WeakPolarHBondContact O-CA 3.35Å; F10-M92 HydrophobicContact CD1-CB 3.84Å; F10-M92 HydrophobicContact CE1-CB 4.01Å; F10-M92 HydrophobicContact CE1-SD 4.11Å; I30-M92 HydrophobicContact CD1-CE 3.34Å; I30-M92 HydrophobicContact CG1-CE 3.82Å; F54-M92 HydrophobicContact CD2-CE 4.26Å; F54-M92 HydrophobicContact CE2-CE 4.02Å; F54-M92 HydrophobicContact CE2-SD 3.89Å; F54-M92 HydrophobicContact CZ-SD 4.42Å; M92-I94 HydrophobicContact CE-CD1 4.36Å; M92-I94 HydrophobicContact CE-CG1 4.17Å; M92-S103 CarbonylContact O-C 3.58Å; M92-S103 WeakPolarHBondContact O-CA 3.17Å; M92-V104 HydrophobicContact CE-CB 4.06Å; M92-V104 HydrophobicContact CE-CG1 4.37Å; M92-V104 HydrophobicContact CE-CG2 4.25Å; M92-V104 HydrophobicContact CG-CB 4.2Å; M92-V104 PolarHBondContact N-O 2.84Å; M92-V104 PolarHBondContact O-N 2.78Å; M92-F106 HydrophobicContact CB-CE2 4Å; M92-F106 HydrophobicContact CB-CZ 3.79Å; M92-F106 HydrophobicContact CE-CE1 4.25Å; M92-F106 HydrophobicContact CE-CZ 4.27Å; M92-F106 HydrophobicContact CG-CE1 4.25Å; M92-F106 HydrophobicContact CG-CE2 4.17Å; M92-F106 HydrophobicContact CG-CZ 3.51Å; M92-F106 HydrophobicContact SD-CE1 4.26Å; M92-F106 HydrophobicContact SD-CZ 3.7Å |
| 93 | D | 97.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.4 | 161.9 | -67.8 | -20.3 | 0 | 0 | 0 | 110 | L8 K9 Y11 I95 P101 D102 S103 | L8-D93 WeakPolarHBondContact CA-O 3.33Å; K9-D93 HydrophobicContact CB-CB 4.36Å; K9-D93 PolarHBondContact N-O 2.74Å; K9-D93 PolarHBondContact O-N 3.15Å; Y11-D93 HydrophobicContact CE2-CB 4.13Å; Y11-D93 VanDerWaalsContact CE2-CG 3.48Å; Y11-D93 WeakPolarHBondContact CE2-OD2 3.4Å; Y11-D93 VanDerWaalsContact CZ-OD2 3.28Å; Y11-D93 PolarHBondContact OH-OD2 3.08Å; D93-I95 HydrophobicContact CB-CD1 3.88Å; D93-P101 HydrophobicContact CB-CB 4.03Å; D93-D102 WeakPolarHBondContact CA-O 3.4Å; D93-S103 WeakPolarHBondContact OD1-CA 3.28Å; D93-S103 VanDerWaalsContact OD1-CB 3.28Å; D93-S103 WeakPolarHBondContact OD1-CB 3.28Å; D93-S103 PolarHBondContact OD1-OG 3.33Å |
| 94 | I | 96.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 109.2 | 167.3 | -53.9 | 178.3 | 0 | 0 | 0 | 107.4 | M5 L8 I30 M92 Y96 P101 D102 V104 | M5-I94 HydrophobicContact CB-CG2 4.19Å; M5-I94 HydrophobicContact CG-CG2 3.65Å; M5-I94 HydrophobicContact SD-CG2 3.84Å; L8-I94 HydrophobicContact CD2-CB 4.36Å; L8-I94 HydrophobicContact CD2-CG1 3.99Å; L8-I94 HydrophobicContact CD2-CG2 4.38Å; I30-I94 HydrophobicContact CD1-CD1 4.04Å; M92-I94 HydrophobicContact CE-CD1 4.36Å; M92-I94 HydrophobicContact CE-CG1 4.17Å; I94-Y96 HydrophobicContact CB-CE2 4.36Å; I94-Y96 HydrophobicContact CG2-CD1 4.29Å; I94-Y96 HydrophobicContact CG2-CE1 3.58Å; I94-Y96 HydrophobicContact CG2-CE2 4.17Å; I94-Y96 WeakPolarHBondContact O-CE2 3.34Å; I94-P101 VanDerWaalsContact O-CA 3.28Å; I94-P101 WeakPolarHBondContact O-CA 3.27Å; I94-D102 PolarHBondContact N-O 2.87Å; I94-D102 PolarHBondContact O-N 2.99Å; I94-V104 HydrophobicContact CD1-CG2 4.06Å; I94-V104 HydrophobicContact CG1-CG2 4.44Å |
| 95 | I | 96.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.7 | -179.5 | -48.4 | -57.6 | 0 | 0 | 0 | 108.9 | M5 T6 A7 K9 D93 P101 | M5-I95 CarbonylContact C-O 3.5Å; M5-I95 WeakPolarHBondContact CA-O 3.47Å; T6-I95 PolarHBondContact N-O 3.01Å; T6-I95 PolarHBondContact OG1-O 2.92Å; A7-I95 HydrophobicContact CB-CB 4.16Å; A7-I95 HydrophobicContact CB-CG1 4.27Å; A7-I95 PolarHBondContact N-O 2.93Å; A7-I95 WeakPolarHBondContact O-CB 3.45Å; A7-I95 PolarHBondContact O-N 3.13Å; K9-I95 HydrophobicContact CB-CD1 4.31Å; K9-I95 HydrophobicContact CB-CG1 4.38Å; D93-I95 HydrophobicContact CB-CD1 3.88Å; I95-P101 HydrophobicContact CD1-CB 3.94Å; I95-P101 HydrophobicContact CD1-CG 3.9Å |
| 96 | Y | 95.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 155.5 | 177.2 | -55.6 | -73.6 | 0 | 0 | 0 | 111.8 | R3 E4 M5 I94 A98 H100 D102 | R3-Y96 HydrophobicContact CB-CD1 3.62Å; R3-Y96 HydrophobicContact CB-CE1 3.93Å; R3-Y96 HydrophobicContact CB-CG 3.96Å; E4-Y96 CarbonylContact O-C 3.53Å; E4-Y96 VanDerWaalsContact O-CA 3.28Å; E4-Y96 WeakPolarHBondContact O-CA 3.25Å; M5-Y96 HydrophobicContact CB-CD1 4.35Å; M5-Y96 HydrophobicContact CB-CE1 4.46Å; I94-Y96 HydrophobicContact CB-CE2 4.36Å; I94-Y96 HydrophobicContact CG2-CD1 4.29Å; I94-Y96 HydrophobicContact CG2-CE1 3.58Å; I94-Y96 HydrophobicContact CG2-CE2 4.17Å; I94-Y96 WeakPolarHBondContact O-CE2 3.34Å; Y96-A98 PolarHBondContact O-N 3.34Å; Y96-H100 WeakPolarHBondContact CD2-O 3.25Å; Y96-D102 HydrophobicContact CE2-CB 4.1Å; Y96-D102 WeakPolarHBondContact CE2-OD2 3.36Å; Y96-D102 VanDerWaalsContact CZ-OD2 3.29Å; Y96-D102 PolarHBondContact OH-OD2 3.26Å |
| 97 | R | 94.3 | Very high | 95.1 | Very high | 168 Ų | 168 | 46.3 Ų | 46.3 | 63% | 0.634 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -56.6 | -33.7 | 173.7 | -171.9 | -178.4 | -61.8 | -79.2 | -0.1 | 112.9 | E4 T6 | E4-R97 HydrophobicContact CB-CB 4.46Å; E4-R97 PolarHBondContact O-N 3.44Å; E4-R97 IonicContact OE1-CZ 2.62Å; E4-R97 IonicContact OE1-NE 2.82Å; E4-R97 IonicContact OE1-NH2 3.79Å; E4-R97 PolarHBondContact OE1-NH2 3.25Å; E4-R97 IonicContact OE2-CZ 2.67Å; E4-R97 IonicContact OE2-NE 3.08Å; E4-R97 PolarHBondContact OE2-NE 3.35Å; E4-R97 IonicContact OE2-NH2 3.33Å; E4-R97 PolarHBondContact OE2-NH2 2.91Å; E4-R97 VanDerWaalsContact OE2-NH2 3.08Å; T6-R97 HydrophobicContact CG2-CB 3.84Å |
| 98 | A | 90.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 47 Ų | 47 | 60% | 0.595 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -145.5 | 143.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y96 | Y96-A98 PolarHBondContact O-N 3.34Š|
| 99 | G | 90.2 | Very high | 95 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 63% | 0.629 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 100.4 | -166.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 100 | H | 92 | Very high | 94.7 | Very high | 161 Ų | 161 | 56.1 Ų | 56.1 | 75% | 0.745 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 144.9 | -179.2 | -32.6 | -47.3 | 0 | 0 | 0 | 109.1 | Y96 | Y96-H100 WeakPolarHBondContact CD2-O 3.25Š|
| 101 | P | 94.7 | Very high | 94.1 | Very high | 66 Ų | 66 | 60.2 Ų | 60.2 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 146.5 | 169.2 | -21.8 | 33.6 | 0 | 0 | 0 | 111.8 | D93 I94 I95 | D93-P101 HydrophobicContact CB-CB 4.03Å; I94-P101 VanDerWaalsContact O-CA 3.28Å; I94-P101 WeakPolarHBondContact O-CA 3.27Å; I95-P101 HydrophobicContact CD1-CB 3.94Å; I95-P101 HydrophobicContact CD1-CG 3.9Å |
| 102 | D | 94.5 | Very high | 93.3 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.9 | 168.9 | -65.9 | -35.5 | 0 | 0 | 0 | 108.6 | R3 D93 I94 Y96 | R3-D102 IonicContact NH1-OD1 2.9Å; R3-D102 PolarHBondContact NH1-OD1 3.42Å; R3-D102 IonicContact NH1-OD2 2.75Å; R3-D102 PolarHBondContact NH1-OD2 2.8Å; D93-D102 WeakPolarHBondContact CA-O 3.4Å; I94-D102 PolarHBondContact N-O 2.87Å; I94-D102 PolarHBondContact O-N 2.99Å; Y96-D102 HydrophobicContact CE2-CB 4.1Å; Y96-D102 WeakPolarHBondContact CE2-OD2 3.36Å; Y96-D102 VanDerWaalsContact CZ-OD2 3.29Å; Y96-D102 PolarHBondContact OH-OD2 3.26Å |
| 103 | S | 95.8 | Very high | 92 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.5 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | H49 M92 D93 | H49-S103 WeakPolarHBondContact CB-O 3.46Å; M92-S103 CarbonylContact O-C 3.58Å; M92-S103 WeakPolarHBondContact O-CA 3.17Å; D93-S103 WeakPolarHBondContact OD1-CA 3.28Å; D93-S103 VanDerWaalsContact OD1-CB 3.28Å; D93-S103 WeakPolarHBondContact OD1-CB 3.28Å; D93-S103 PolarHBondContact OD1-OG 3.33Å |
| 104 | V | 97 | Very high | 90.7 | Very high | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.012 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.7 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | I30 I33 H49 C51 R91 M92 I94 | I30-V104 HydrophobicContact CG2-CG1 4.29Å; I33-V104 HydrophobicContact CD1-CG1 4.4Å; I33-V104 HydrophobicContact CD1-CG2 3.85Å; I33-V104 HydrophobicContact CG1-CG1 4.34Å; H49-V104 WeakPolarHBondContact O-CA 3.38Å; C51-V104 HydrophobicContact CB-CG1 3.79Å; R91-V104 CarbonylContact C-O 3.55Å; R91-V104 VanDerWaalsContact CA-O 3.28Å; R91-V104 WeakPolarHBondContact CA-O 3.39Å; R91-V104 VanDerWaalsContact CB-O 3.3Å; R91-V104 WeakPolarHBondContact CB-O 3.35Å; M92-V104 HydrophobicContact CE-CB 4.06Å; M92-V104 HydrophobicContact CE-CG1 4.37Å; M92-V104 HydrophobicContact CE-CG2 4.25Å; M92-V104 HydrophobicContact CG-CB 4.2Å; M92-V104 PolarHBondContact N-O 2.84Å; M92-V104 PolarHBondContact O-N 2.78Å; I94-V104 HydrophobicContact CD1-CG2 4.06Å; I94-V104 HydrophobicContact CG1-CG2 4.44Å |
| 105 | Y | 95.9 | Very high | 89.3 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.6 | 178.7 | -70 | -97.4 | 0 | 0 | 0 | 110.5 | I48 H49 P50 C51 R91 | I48-Y105 HydrophobicContact CB-CD2 4.45Å; I48-Y105 HydrophobicContact CB-CE2 4.39Å; I48-Y105 HydrophobicContact CG2-CE2 4.08Å; H49-Y105 PolarHBondContact O-N 2.8Å; P50-Y105 WeakPolarHBondContact CA-O 3.46Å; C51-Y105 PolarHBondContact N-O 2.91Å; R91-Y105 HydrophobicContact CB-CD1 3.92Å; R91-Y105 HydrophobicContact CB-CE1 4.23Å; R91-Y105 HydrophobicContact CB-CG 4.26Å; R91-Y105 VanDerWaalsContact CD-CE1 3.45Å; R91-Y105 HydrophobicContact CG-CE1 4.45Å |
| 106 | F | 97.1 | Very high | 88.8 | Confident | 12 Ų | 12 | 79 Ų | 79 | 5% | 0.053 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 156.6 | 179.8 | -59.6 | -58.3 | 0 | 0 | 0 | 111.9 | F10 F54 I89 E90 M92 Y108 I136 | F10-F106 HydrophobicContact CD1-CE2 4.11Å; F10-F106 HydrophobicContact CD1-CZ 4.33Å; F10-F106 HydrophobicContact CE1-CE2 4.22Å; F10-F106 AromaticContact CE1-CZ 4Å; F10-F106 HydrophobicContact CE1-CZ 4Å; F54-F106 HydrophobicContact CB-CD1 3.65Å; F54-F106 HydrophobicContact CB-CE1 3.56Å; F54-F106 HydrophobicContact CD1-CD1 4.46Å; F54-F106 AromaticContact CD1-CE1 3.9Å; F54-F106 HydrophobicContact CD1-CE1 3.9Å; F54-F106 HydrophobicContact CD1-CZ 4.17Å; F54-F106 HydrophobicContact CD2-CD1 4.47Å; F54-F106 AromaticContact CD2-CE1 3.53Å; F54-F106 HydrophobicContact CD2-CE1 3.53Å; F54-F106 HydrophobicContact CD2-CZ 4.1Å; F54-F106 HydrophobicContact CE1-CE1 4.45Å; F54-F106 HydrophobicContact CE1-CZ 4.33Å; F54-F106 HydrophobicContact CE2-CE1 4.12Å; F54-F106 HydrophobicContact CE2-CZ 4.24Å; F54-F106 AromaticContact CG-CD1 3.97Å; F54-F106 HydrophobicContact CG-CD1 3.97Å; F54-F106 AromaticContact CG-CE1 3.38Å; F54-F106 HydrophobicContact CG-CE1 3.38Å; F54-F106 HydrophobicContact CG-CZ 4.04Å; F54-F106 HydrophobicContact CZ-CZ 4.36Å; I89-F106 HydrophobicContact CG2-CD2 3.71Å; I89-F106 HydrophobicContact CG2-CE2 3.51Å; E90-F106 PolarHBondContact O-N 2.81Å; E90-F106 VanDerWaalsContact O-N 3.11Å; M92-F106 HydrophobicContact CB-CE2 4Å; M92-F106 HydrophobicContact CB-CZ 3.79Å; M92-F106 HydrophobicContact CE-CE1 4.25Å; M92-F106 HydrophobicContact CE-CZ 4.27Å; M92-F106 HydrophobicContact CG-CE1 4.25Å; M92-F106 HydrophobicContact CG-CE2 4.17Å; M92-F106 HydrophobicContact CG-CZ 3.51Å; M92-F106 HydrophobicContact SD-CE1 4.26Å; M92-F106 HydrophobicContact SD-CZ 3.7Å; F106-Y108 PolarHBondContact O-N 2.96Å; F106-I136 HydrophobicContact CB-CB 4.48Å; F106-I136 HydrophobicContact CB-CD1 4.07Å; F106-I136 HydrophobicContact CB-CG2 3.91Å; F106-I136 HydrophobicContact CD1-CD1 4.17Å; F106-I136 HydrophobicContact CD2-CD1 3.64Å; F106-I136 HydrophobicContact CE2-CD1 4.08Å; F106-I136 HydrophobicContact CG-CD1 3.69Å |
| 107 | P | 95.9 | Very high | 88.5 | Confident | 20 Ų | 20 | 78.7 Ų | 78.7 | 13% | 0.13 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 126 | 163.2 | -21.5 | 32.7 | 0 | 0 | 0 | 108.8 | C51 N118 Y120 I136 P138 | C51-P107 WeakPolarHBondContact O-CD 3.49Å; C51-P107 WeakPolarHBondContact O-CG 3.43Å; P107-N118 PolarHBondContact O-ND2 3.23Å; P107-Y120 HydrophobicContact CB-CD2 3.88Å; P107-Y120 HydrophobicContact CB-CG 4.44Å; P107-I136 WeakPolarHBondContact O-CG2 3.29Å; P107-P138 HydrophobicContact CB-CG 3.84Å; P107-P138 HydrophobicContact CG-CG 4.28Å |
| 108 | Y | 93.8 | Very high | 88.5 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | trans | -140.1 | 133.4 | -175 | -171.9 | -77.7 | 0 | 0 | 0 | 111.5 | E90 F106 D110 L116 N118 | E90-Y108 HydrophobicContact CB-CD2 4.34Å; F106-Y108 PolarHBondContact O-N 2.96Å; Y108-D110 WeakPolarHBondContact CE1-OD1 3.16Å; Y108-D110 PolarHBondContact OH-OD1 3.49Å; Y108-L116 PolarHBondContact OH-O 2.94Å; Y108-N118 WeakPolarHBondContact CA-OD1 3.22Å; Y108-N118 HydrophobicContact CD2-CB 3.63Å; Y108-N118 HydrophobicContact CE2-CB 3.62Å; Y108-N118 HydrophobicContact CG-CB 4.42Å | ||
| 109 | K | 92.9 | Very high | 88.7 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | trans | -148.1 | 127.1 | 171.3 | 179.8 | 179.5 | 179.7 | -175.4 | 0 | 109.2 | K111 N118 V119 Y120 | K109-K111 PolarHBondContact O-N 2.91Å; K109-N118 PolarHBondContact N-OD1 3.07Å; K109-N118 WeakPolarHBondContact O-CA 3.28Å; K109-V119 HydrophobicContact CB-CB 4.44Å; K109-V119 WeakPolarHBondContact O-CG2 3.2Å; K109-V119 PolarHBondContact O-N 3.43Å; K109-Y120 HydrophobicContact CB-CD2 4.08Å; K109-Y120 HydrophobicContact CB-CE2 3.46Å; K109-Y120 VanDerWaalsContact CB-CE2 3.46Å | ||
| 110 | D | 89.3 | Confident | 89 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 135 | 176.8 | -59.4 | -56.7 | 0 | 0 | 0 | 110.9 | Y108 | Y108-D110 WeakPolarHBondContact CE1-OD1 3.16Å; Y108-D110 PolarHBondContact OH-OD1 3.49Å |
| 111 | K | 83.6 | Confident | 89.3 | Confident | 126 Ų | 126 | 63.8 Ų | 63.8 | 55% | 0.548 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -70.6 | -35.9 | -178.7 | -170.9 | 174.6 | -179.1 | 176.8 | 0 | 113.5 | K109 D117 V119 | K109-K111 PolarHBondContact O-N 2.91Å; K111-D117 HydrophobicContact CB-CB 4.01Å; K111-D117 WeakPolarHBondContact CB-O 3.35Å; K111-D117 HydrophobicContact CD-CB 3.93Å; K111-D117 PolarHBondContact N-O 2.77Å; K111-V119 HydrophobicContact CB-CG2 3.83Å; K111-V119 HydrophobicContact CG-CG2 4.18Å |
| 112 | D | 79.1 | Confident | 89.5 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -149.1 | -176.8 | 171.8 | 60 | 45.9 | 0 | 0 | 0 | 109.4 | E114 G115 | D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact OD1-N 3.2Å; D112-G115 WeakPolarHBondContact OD1-CA 3.28Å; D112-G115 PolarHBondContact OD1-N 2.96Å |
| 113 | T | 69.1 | Low | 89.6 | Confident | 150 Ų | 150 | 59.5 Ų | 59.5 | 92% | 0.92 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.1 | -8.7 | -178.5 | 42.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 114 | E | 69.8 | Low | 89.7 | Confident | 188 Ų | 188 | 61.7 Ų | 61.7 | 88% | 0.879 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -114.8 | -21.4 | -173.8 | -62.7 | -169.8 | 148.7 | 0 | 0 | 113 | D112 | D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact OD1-N 3.2Å |
| 115 | G | 68.5 | Low | 89.7 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | trans | -102.7 | 149.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D112 D117 | D112-G115 WeakPolarHBondContact OD1-CA 3.28Å; D112-G115 PolarHBondContact OD1-N 2.96Å; G115-D117 VanDerWaalsContact C-N 3.32Å | ||
| 116 | L | 84.2 | Confident | 89.7 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | trans | -93.2 | 6.1 | 177.8 | -57.4 | 178.9 | 0 | 0 | 0 | 112.4 | R13 N14 D88 Y108 | R13-L116 HydrophobicContact CB-CB 4.02Å; R13-L116 HydrophobicContact CB-CD1 4.43Å; R13-L116 HydrophobicContact CG-CB 4.01Å; R13-L116 HydrophobicContact CG-CD1 4.41Å; R13-L116 HydrophobicContact CG-CD2 3.87Å; R13-L116 HydrophobicContact CG-CG 4.31Å; N14-L116 HydrophobicContact CB-CD1 4.14Å; D88-L116 HydrophobicContact CB-CB 4.2Å; D88-L116 WeakPolarHBondContact CB-O 3.37Å; Y108-L116 PolarHBondContact OH-O 2.94Å | ||
| 117 | D | 90.3 | Very high | 89.6 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | trans | -72.1 | 133.1 | -177 | -71.3 | -16.1 | 0 | 0 | 0 | 110.8 | E87 K111 G115 | E87-D117 PolarHBondContact N-OD1 2.93Å; K111-D117 HydrophobicContact CB-CB 4.01Å; K111-D117 WeakPolarHBondContact CB-O 3.35Å; K111-D117 HydrophobicContact CD-CB 3.93Å; K111-D117 PolarHBondContact N-O 2.77Å; G115-D117 VanDerWaalsContact C-N 3.32Å | ||
| 118 | N | 94.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.011 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 115.5 | 172.9 | -176.2 | 1 | 0 | 0 | 0 | 110.4 | E87 P107 Y108 K109 Y120 Q121 | E87-N118 WeakPolarHBondContact O-CA 3.35Å; E87-N118 WeakPolarHBondContact O-CB 3.3Å; E87-N118 PolarHBondContact O-N 2.99Å; P107-N118 PolarHBondContact O-ND2 3.23Å; Y108-N118 WeakPolarHBondContact CA-OD1 3.22Å; Y108-N118 HydrophobicContact CD2-CB 3.63Å; Y108-N118 HydrophobicContact CE2-CB 3.62Å; Y108-N118 HydrophobicContact CG-CB 4.42Å; K109-N118 PolarHBondContact N-OD1 3.07Å; K109-N118 WeakPolarHBondContact O-CA 3.28Å; N118-Y120 PolarHBondContact O-N 2.85Å; N118-Y120 PolarHBondContact OD1-N 2.89Å; N118-Q121 HydrophobicContact CB-CB 3.98Å; N118-Q121 PolarHBondContact O-N 2.88Å |
| 119 | V | 95 | Very high | 89.5 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27.7 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | K109 K111 | K109-V119 HydrophobicContact CB-CB 4.44Å; K109-V119 WeakPolarHBondContact O-CG2 3.2Å; K109-V119 PolarHBondContact O-N 3.43Å; K111-V119 HydrophobicContact CB-CG2 3.83Å; K111-V119 HydrophobicContact CG-CG2 4.18Å |
| 120 | Y | 97.3 | Very high | 89.6 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 26% | 0.263 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -11.2 | -177 | -54.9 | -45 | 0 | 0 | 0 | 113.5 | P107 K109 N118 I136 D137 P138 | P107-Y120 HydrophobicContact CB-CD2 3.88Å; P107-Y120 HydrophobicContact CB-CG 4.44Å; K109-Y120 HydrophobicContact CB-CD2 4.08Å; K109-Y120 HydrophobicContact CB-CE2 3.46Å; K109-Y120 VanDerWaalsContact CB-CE2 3.46Å; N118-Y120 PolarHBondContact O-N 2.85Å; N118-Y120 PolarHBondContact OD1-N 2.89Å; Y120-I136 CarbonylContact O-C 3.45Å; Y120-I136 VanDerWaalsContact O-CA 3.27Å; Y120-I136 WeakPolarHBondContact O-CA 3.17Å; Y120-D137 PolarHBondContact O-N 3.34Å; Y120-D137 VanDerWaalsContact O-N 3.08Å; Y120-P138 HydrophobicContact CD1-CB 3.98Å; Y120-P138 HydrophobicContact CD1-CG 4.33Å; Y120-P138 HydrophobicContact CD2-CG 4.46Å; Y120-P138 HydrophobicContact CE1-CB 3.89Å; Y120-P138 HydrophobicContact CE1-CG 4.42Å; Y120-P138 HydrophobicContact CG-CB 4.47Å; Y120-P138 HydrophobicContact CG-CG 4.33Å |
| 121 | Q | 97.9 | Very high | 90 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 139 | 175.7 | -179.7 | 173.8 | -26 | 0 | 0 | 110.1 | E87 I89 N118 T123 I134 V135 I136 | E87-Q121 VanDerWaalsContact C-OE1 3.26Å; E87-Q121 HydrophobicContact CB-CB 4.03Å; E87-Q121 HydrophobicContact CB-CG 3.85Å; E87-Q121 HydrophobicContact CG-CG 4.35Å; E87-Q121 PolarHBondContact O-OE1 3.21Å; I89-Q121 VanDerWaalsContact CB-OE1 3.23Å; N118-Q121 HydrophobicContact CB-CB 3.98Å; N118-Q121 PolarHBondContact O-N 2.88Å; Q121-T123 PolarHBondContact NE2-OG1 3.21Å; Q121-T123 VanDerWaalsContact NE2-OG1 3.15Å; Q121-I134 HydrophobicContact CG-CG2 4.14Å; Q121-V135 CarbonylContact C-O 3.6Å; Q121-V135 WeakPolarHBondContact CA-O 3.44Å; Q121-I136 HydrophobicContact CB-CG1 4.04Å; Q121-I136 HydrophobicContact CG-CG1 4.02Å |
| 122 | S | 97.9 | Very high | 90.6 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 12% | 0.119 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.8 | 169.5 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | E87 I134 V135 N141 V142 | E87-S122 VanDerWaalsContact OE1-C 3.3Å; E87-S122 WeakPolarHBondContact OE1-CA 3.14Å; S122-I134 WeakPolarHBondContact O-CA 3.28Å; S122-V135 PolarHBondContact N-O 2.82Å; S122-V135 PolarHBondContact O-N 3.37Å; S122-V135 PolarHBondContact OG-O 2.86Å; S122-N141 WeakPolarHBondContact OG-CA 3.04Å; S122-N141 WeakPolarHBondContact OG-CB 3.4Å; S122-V142 PolarHBondContact OG-N 2.81Å |
| 123 | T | 97.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.3 | -168.6 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | A83 R84 E87 Q121 L132 Y133 I134 | A83-T123 HydrophobicContact CB-CG2 4.22Å; A83-T123 PolarHBondContact O-OG1 3.4Å; R84-T123 HydrophobicContact CB-CG2 4.33Å; E87-T123 WeakPolarHBondContact OE1-CB 3.39Å; E87-T123 PolarHBondContact OE1-N 3.32Å; E87-T123 PolarHBondContact OE1-OG1 2.75Å; Q121-T123 PolarHBondContact NE2-OG1 3.21Å; Q121-T123 VanDerWaalsContact NE2-OG1 3.15Å; T123-L132 HydrophobicContact CG2-CD1 3.52Å; T123-L132 HydrophobicContact CG2-CD2 4.36Å; T123-L132 HydrophobicContact CG2-CG 4.1Å; T123-Y133 WeakPolarHBondContact CA-O 3.4Å; T123-I134 HydrophobicContact CG2-CG1 3.96Å |
| 124 | K | 97.5 | Very high | 92.9 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.2 | 174.6 | -84.1 | -174.6 | 178.5 | 171.9 | 0 | 112.1 | Y133 V142 D143 F150 | K124-Y133 PolarHBondContact N-O 2.81Å; K124-Y133 PolarHBondContact O-N 2.82Å; K124-V142 HydrophobicContact CB-CG1 3.97Å; K124-V142 HydrophobicContact CB-CG2 4.31Å; K124-V142 HydrophobicContact CD-CG1 3.72Å; K124-V142 HydrophobicContact CG-CG1 3.75Å; K124-D143 IonicContact NZ-OD1 3.05Å; K124-D143 PolarHBondContact NZ-OD1 2.84Å; K124-D143 IonicContact NZ-OD2 3.41Å; K124-D143 PolarHBondContact NZ-OD2 3.48Å; K124-F150 HydrophobicContact CB-CD1 4.23Å; K124-F150 HydrophobicContact CB-CE1 3.41Å; K124-F150 VanDerWaalsContact CB-CE1 3.41Å; K124-F150 HydrophobicContact CB-CE2 4.37Å; K124-F150 HydrophobicContact CB-CZ 3.5Å; K124-F150 HydrophobicContact CD-CD1 4.39Å; K124-F150 HydrophobicContact CD-CD2 4.47Å; K124-F150 HydrophobicContact CD-CE1 4.25Å; K124-F150 HydrophobicContact CD-CE2 4.29Å; K124-F150 HydrophobicContact CD-CZ 4.2Å; K124-F150 HydrophobicContact CG-CE1 4.45Å; K124-F150 HydrophobicContact CG-CZ 4.48Å |
| 125 | V | 96.5 | Very high | 94.3 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 28% | 0.279 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.5 | 167.5 | -179 | 0 | 0 | 0 | 0 | 108.1 | F80 S131 L132 | F80-V125 HydrophobicContact CB-CG2 4.1Å; F80-V125 HydrophobicContact CD2-CG2 4.15Å; V125-S131 WeakPolarHBondContact CA-O 3.47Å; V125-L132 HydrophobicContact CG2-CD1 3.48Å; V125-L132 VanDerWaalsContact CG2-CD1 3.48Å |
| 126 | S | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | trans | -75.4 | 130.6 | 176.4 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | K128 T129 K130 S131 Q149 | S126-K128 PolarHBondContact O-N 2.85Å; S126-K128 PolarHBondContact OG-N 3.2Å; S126-K128 VanDerWaalsContact OG-N 3.14Å; S126-T129 WeakPolarHBondContact CB-OG1 3.37Å; S126-T129 PolarHBondContact OG-N 2.61Å; S126-T129 PolarHBondContact OG-OG1 2.71Å; S126-T129 VanDerWaalsContact OG-OG1 3.1Å; S126-K130 WeakPolarHBondContact O-CA 3.48Å; S126-K130 PolarHBondContact O-N 3.03Å; S126-S131 PolarHBondContact N-O 2.56Å; S126-Q149 VanDerWaalsContact CB-O 3.3Å; S126-Q149 WeakPolarHBondContact CB-O 3.17Å; S126-Q149 PolarHBondContact OG-O 3.03Å | ||
| 127 | E | 94.1 | Very high | 96.4 | Very high | 161 Ų | 161 | 39.4 Ų | 39.4 | 75% | 0.752 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -28 | 171.7 | -67.6 | -169.1 | 180 | 0 | 0 | 112.4 | K130 | E127-K130 WeakPolarHBondContact O-CE 3.45Å; E127-K130 PolarHBondContact O-NZ 3.04Å |
| 128 | K | 93.8 | Very high | 96.7 | Very high | 138 Ų | 138 | 40.8 Ų | 40.8 | 60% | 0.6 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -49.9 | -178.3 | -64.5 | 170.7 | 178.5 | 161.2 | 0 | 112.4 | S126 D148 F150 | S126-K128 PolarHBondContact O-N 2.85Å; S126-K128 PolarHBondContact OG-N 3.2Å; S126-K128 VanDerWaalsContact OG-N 3.14Å; K128-D148 PolarHBondContact NZ-O 2.72Å; K128-F150 WeakPolarHBondContact CE-O 3.35Å; K128-F150 WeakPolarHBondContact CE-OXT 3.48Å; K128-F150 VanDerWaalsContact NZ-C 3.3Å; K128-F150 PolarHBondContact NZ-O 3.18Å |
| 129 | T | 93.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -16.8 | -172.6 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | S126 S131 | S126-T129 WeakPolarHBondContact CB-OG1 3.37Å; S126-T129 PolarHBondContact OG-N 2.61Å; S126-T129 PolarHBondContact OG-OG1 2.71Å; S126-T129 VanDerWaalsContact OG-OG1 3.1Å; T129-S131 PolarHBondContact O-N 3.34Å; T129-S131 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact OG1-N 3.06Å |
| 130 | K | 95.3 | Very high | 97 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | trans | 62.4 | 3.9 | -168.8 | -50.8 | -52.1 | -172.9 | -162.1 | 0 | 114.4 | Q60 F80 S126 E127 | Q60-K130 HydrophobicContact CB-CB 3.96Å; F80-K130 WeakPolarHBondContact CE2-O 3.45Å; S126-K130 WeakPolarHBondContact O-CA 3.48Å; S126-K130 PolarHBondContact O-N 3.03Å; E127-K130 WeakPolarHBondContact O-CE 3.45Å; E127-K130 PolarHBondContact O-NZ 3.04Å | ||
| 131 | S | 97 | Very high | 97 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | trans | -70 | 147 | 172.7 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | E57 I58 V125 S126 T129 | E57-S131 PolarHBondContact OE1-OG 2.97Å; E57-S131 VanDerWaalsContact OE1-OG 3.06Å; I58-S131 CarbonylContact O-C 3.55Å; I58-S131 WeakPolarHBondContact O-CA 3.21Å; I58-S131 VanDerWaalsContact O-CB 3.3Å; I58-S131 WeakPolarHBondContact O-CB 3.37Å; V125-S131 WeakPolarHBondContact CA-O 3.47Å; S126-S131 PolarHBondContact N-O 2.56Å; T129-S131 PolarHBondContact O-N 3.34Å; T129-S131 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact OG1-N 3.06Å | ||
| 132 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.6 | 166.2 | -173 | 78.4 | 0 | 0 | 0 | 109.7 | W18 E57 I58 F80 A83 T123 V125 I134 | W18-L132 HydrophobicContact CH2-CD2 3.52Å; W18-L132 HydrophobicContact CZ3-CD2 3.81Å; E57-L132 CarbonylContact C-O 3.6Å; E57-L132 WeakPolarHBondContact CA-O 3.38Å; I58-L132 HydrophobicContact CB-CB 4.34Å; I58-L132 HydrophobicContact CD1-CD2 4.02Å; I58-L132 PolarHBondContact N-O 2.79Å; I58-L132 PolarHBondContact O-N 2.84Å; F80-L132 HydrophobicContact CB-CD1 4.15Å; F80-L132 HydrophobicContact CD1-CB 3.91Å; F80-L132 HydrophobicContact CD1-CD2 3.94Å; F80-L132 HydrophobicContact CD1-CG 4.39Å; F80-L132 HydrophobicContact CD2-CB 3.73Å; F80-L132 HydrophobicContact CD2-CD1 4.5Å; F80-L132 HydrophobicContact CE1-CB 3.81Å; F80-L132 HydrophobicContact CE1-CD2 4.26Å; F80-L132 HydrophobicContact CE2-CB 3.61Å; F80-L132 HydrophobicContact CG-CB 3.86Å; F80-L132 HydrophobicContact CG-CD1 4.2Å; F80-L132 HydrophobicContact CG-CD2 4.32Å; F80-L132 HydrophobicContact CG-CG 4.37Å; F80-L132 HydrophobicContact CZ-CB 3.64Å; A83-L132 HydrophobicContact CB-CD2 4.01Å; T123-L132 HydrophobicContact CG2-CD1 3.52Å; T123-L132 HydrophobicContact CG2-CD2 4.36Å; T123-L132 HydrophobicContact CG2-CG 4.1Å; V125-L132 HydrophobicContact CG2-CD1 3.48Å; V125-L132 VanDerWaalsContact CG2-CD1 3.48Å; L132-I134 HydrophobicContact CD2-CD1 3.78Å; L132-I134 HydrophobicContact CD2-CG1 3.87Å; L132-I134 HydrophobicContact CG-CG1 4.14Å |
| 133 | Y | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.5 | 172.9 | -63.3 | -92.5 | 0 | 0 | 0 | 108.8 | I56 E57 T123 K124 Y146 Q149 F150 | I56-Y133 WeakPolarHBondContact O-CA 3.42Å; E57-Y133 HydrophobicContact CB-CD1 3.96Å; E57-Y133 HydrophobicContact CB-CE1 3.74Å; E57-Y133 HydrophobicContact CG-CD1 4.11Å; E57-Y133 HydrophobicContact CG-CE1 3.54Å; E57-Y133 PolarHBondContact OE1-OH 2.98Å; T123-Y133 WeakPolarHBondContact CA-O 3.4Å; K124-Y133 PolarHBondContact N-O 2.81Å; K124-Y133 PolarHBondContact O-N 2.82Å; Y133-Y146 AromaticContact CD1-CD1 3.59Å; Y133-Y146 HydrophobicContact CD1-CD1 3.59Å; Y133-Y146 AromaticContact CD1-CD2 3.59Å; Y133-Y146 HydrophobicContact CD1-CD2 3.59Å; Y133-Y146 AromaticContact CD1-CE1 3.84Å; Y133-Y146 HydrophobicContact CD1-CE1 3.84Å; Y133-Y146 AromaticContact CD1-CE2 3.8Å; Y133-Y146 HydrophobicContact CD1-CE2 3.8Å; Y133-Y146 AromaticContact CD1-CG 3.45Å; Y133-Y146 HydrophobicContact CD1-CG 3.45Å; Y133-Y146 VanDerWaalsContact CD1-CG 3.45Å; Y133-Y146 AromaticContact CD1-CZ 3.91Å; Y133-Y146 AromaticContact CE1-CD1 3.8Å; Y133-Y146 HydrophobicContact CE1-CD1 3.8Å; Y133-Y146 HydrophobicContact CE1-CE1 4.09Å; Y133-Y146 HydrophobicContact CE1-CG 4.04Å; Y133-Y146 HydrophobicContact CG-CD2 4.08Å; Y133-Y146 HydrophobicContact CG-CE2 4.48Å; Y133-Y146 HydrophobicContact CG-CG 4.15Å; Y133-Q149 HydrophobicContact CE1-CB 4.14Å; Y133-Q149 HydrophobicContact CE1-CG 3.79Å; Y133-Q149 HydrophobicContact CE2-CB 3.97Å; Y133-Q149 HydrophobicContact CE2-CG 4.49Å; Y133-Q149 PolarHBondContact OH-OE1 2.95Å; Y133-F150 AromaticContact CD2-CE1 3.87Å; Y133-F150 HydrophobicContact CD2-CE1 3.87Å; Y133-F150 AromaticContact CD2-CZ 3.84Å; Y133-F150 HydrophobicContact CD2-CZ 3.84Å; Y133-F150 HydrophobicContact CE2-CE1 4.49Å; Y133-F150 HydrophobicContact CG-CZ 4.05Å |
| 134 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134 | 175.4 | -52 | 172.2 | 0 | 0 | 0 | 108 | W18 K55 I56 I58 I89 Q121 S122 T123 L132 I136 | W18-I134 HydrophobicContact CZ3-CD1 4.3Å; K55-I134 CarbonylContact C-O 3.53Å; K55-I134 VanDerWaalsContact CA-O 3.25Å; K55-I134 WeakPolarHBondContact CA-O 3.39Å; I56-I134 HydrophobicContact CG2-CB 3.86Å; I56-I134 HydrophobicContact CG2-CD1 4.3Å; I56-I134 HydrophobicContact CG2-CG1 4.29Å; I56-I134 PolarHBondContact N-O 2.93Å; I56-I134 PolarHBondContact O-N 3.06Å; I58-I134 HydrophobicContact CD1-CD1 4.13Å; I89-I134 HydrophobicContact CD1-CD1 3.87Å; Q121-I134 HydrophobicContact CG-CG2 4.14Å; S122-I134 WeakPolarHBondContact O-CA 3.28Å; T123-I134 HydrophobicContact CG2-CG1 3.96Å; L132-I134 HydrophobicContact CD2-CD1 3.78Å; L132-I134 HydrophobicContact CD2-CG1 3.87Å; L132-I134 HydrophobicContact CG-CG1 4.14Å; I134-I136 HydrophobicContact CG2-CD1 4.43Å; I134-I136 HydrophobicContact CG2-CG1 4.01Å |
| 135 | V | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.4 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 108.2 | F54 K55 Q121 S122 D137 K140 V142 V145 Y146 | F54-V135 CarbonylContact O-C 3.56Å; F54-V135 WeakPolarHBondContact O-CA 3.44Å; K55-V135 HydrophobicContact CB-CG2 4.02Å; Q121-V135 CarbonylContact C-O 3.6Å; Q121-V135 WeakPolarHBondContact CA-O 3.44Å; S122-V135 PolarHBondContact N-O 2.82Å; S122-V135 PolarHBondContact O-N 3.37Å; S122-V135 PolarHBondContact OG-O 2.86Å; V135-D137 HydrophobicContact CG1-CB 4.04Å; V135-K140 WeakPolarHBondContact CG1-O 3.25Å; V135-V142 HydrophobicContact CG2-CB 4.24Å; V135-V142 HydrophobicContact CG2-CG2 4.34Å; V135-V145 HydrophobicContact CG1-CG2 4.22Å; V135-V145 HydrophobicContact CG2-CB 3.92Å; V135-V145 HydrophobicContact CG2-CG1 4.18Å; V135-V145 HydrophobicContact CG2-CG2 4.04Å; V135-Y146 HydrophobicContact CG2-CD2 3.97Å; V135-Y146 HydrophobicContact CG2-CE2 3.83Å |
| 136 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 92.2 | 171.1 | -47.4 | 173.5 | 0 | 0 | 0 | 107.8 | G53 F54 I89 F106 P107 Y120 Q121 I134 | G53-I136 CarbonylContact C-O 3.47Å; G53-I136 VanDerWaalsContact CA-O 3.25Å; G53-I136 WeakPolarHBondContact CA-O 3.24Å; F54-I136 HydrophobicContact CB-CB 4.29Å; F54-I136 HydrophobicContact CD1-CD1 4.09Å; F54-I136 HydrophobicContact CD1-CG1 4.16Å; F54-I136 PolarHBondContact N-O 3.11Å; F54-I136 PolarHBondContact O-N 3.41Å; I89-I136 HydrophobicContact CB-CD1 4.14Å; I89-I136 HydrophobicContact CG2-CD1 4.2Å; F106-I136 HydrophobicContact CB-CB 4.48Å; F106-I136 HydrophobicContact CB-CD1 4.07Å; F106-I136 HydrophobicContact CB-CG2 3.91Å; F106-I136 HydrophobicContact CD1-CD1 4.17Å; F106-I136 HydrophobicContact CD2-CD1 3.64Å; F106-I136 HydrophobicContact CE2-CD1 4.08Å; F106-I136 HydrophobicContact CG-CD1 3.69Å; P107-I136 WeakPolarHBondContact O-CG2 3.29Å; Y120-I136 CarbonylContact O-C 3.45Å; Y120-I136 VanDerWaalsContact O-CA 3.27Å; Y120-I136 WeakPolarHBondContact O-CA 3.17Å; Q121-I136 HydrophobicContact CB-CG1 4.04Å; Q121-I136 HydrophobicContact CG-CG1 4.02Å; I134-I136 HydrophobicContact CG2-CD1 4.43Å; I134-I136 HydrophobicContact CG2-CG1 4.01Å |
| 137 | D | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | trans | -147.9 | 134.7 | -177.5 | -172 | -66.7 | 0 | 0 | 0 | 110 | K31 Y120 V135 M139 K140 | K31-D137 IonicContact NZ-OD2 3.49Å; Y120-D137 PolarHBondContact O-N 3.34Å; Y120-D137 VanDerWaalsContact O-N 3.08Å; V135-D137 HydrophobicContact CG1-CB 4.04Å; D137-M139 PolarHBondContact O-N 3Å; D137-M139 VanDerWaalsContact O-N 3.13Å; D137-M139 WeakPolarHBondContact OD1-CA 3.35Å; D137-M139 WeakPolarHBondContact OD1-CB 3.32Å; D137-M139 PolarHBondContact OD1-N 2.81Å; D137-K140 HydrophobicContact CB-CB 4.43Å; D137-K140 PolarHBondContact OD1-N 2.95Å | ||
| 138 | P | 97 | Very high | 97.1 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -64.1 | -14.1 | 179 | -24.8 | 35.4 | 0 | 0 | 0 | 115.9 | P107 Y120 | P107-P138 HydrophobicContact CB-CG 3.84Å; P107-P138 HydrophobicContact CG-CG 4.28Å; Y120-P138 HydrophobicContact CD1-CB 3.98Å; Y120-P138 HydrophobicContact CD1-CG 4.33Å; Y120-P138 HydrophobicContact CD2-CG 4.46Å; Y120-P138 HydrophobicContact CE1-CB 3.89Å; Y120-P138 HydrophobicContact CE1-CG 4.42Å; Y120-P138 HydrophobicContact CG-CB 4.47Å; Y120-P138 HydrophobicContact CG-CG 4.33Å |
| 139 | M | 97.2 | Very high | 97.1 | Very high | 147 Ų | 147 | 48.8 Ų | 48.8 | 72% | 0.724 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -121.5 | -16.5 | -172.5 | -58.5 | -166.4 | -60.9 | 0 | 0 | 114.4 | D137 | D137-M139 PolarHBondContact O-N 3Å; D137-M139 VanDerWaalsContact O-N 3.13Å; D137-M139 WeakPolarHBondContact OD1-CA 3.35Å; D137-M139 WeakPolarHBondContact OD1-CB 3.32Å; D137-M139 PolarHBondContact OD1-N 2.81Å |
| 140 | K | 97.5 | Very high | 97 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | trans | -135.4 | 144.9 | -176.2 | -65.5 | -168.3 | 176.5 | -165.7 | 0 | 110.8 | V135 D137 D144 V145 | V135-K140 WeakPolarHBondContact CG1-O 3.25Å; D137-K140 HydrophobicContact CB-CB 4.43Å; D137-K140 PolarHBondContact OD1-N 2.95Å; K140-D144 HydrophobicContact CB-CB 4.25Å; K140-V145 HydrophobicContact CB-CG2 4.04Å; K140-V145 HydrophobicContact CD-CG2 4.08Å | ||
| 141 | N | 98 | Very high | 97.1 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 33% | 0.326 | 25% | 0.25 | S | S | . | . | trans | -111.2 | -177.9 | 172.5 | 66.1 | 44.3 | 0 | 0 | 0 | 111.7 | S122 D143 D144 V145 | S122-N141 WeakPolarHBondContact OG-CA 3.04Å; S122-N141 WeakPolarHBondContact OG-CB 3.4Å; N141-D143 VanDerWaalsContact C-N 3.29Å; N141-D143 PolarHBondContact O-N 3.14Å; N141-D143 WeakPolarHBondContact OD1-CA 3.12Å; N141-D143 WeakPolarHBondContact OD1-CB 3.41Å; N141-D143 PolarHBondContact OD1-N 2.87Å; N141-D144 PolarHBondContact N-OD2 3.2Å; N141-D144 PolarHBondContact ND2-OD2 2.99Å; N141-D144 PolarHBondContact O-N 2.91Å; N141-D144 PolarHBondContact OD1-N 2.92Å; N141-D144 PolarHBondContact OD1-OD2 2.86Å; N141-V145 WeakPolarHBondContact O-CG2 3.42Å; N141-V145 PolarHBondContact O-N 3.28Å | ||
| 142 | V | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -32.7 | -179.5 | 78 | 0 | 0 | 0 | 0 | 113.2 | S122 K124 V135 V145 Y146 F150 | S122-V142 PolarHBondContact OG-N 2.81Å; K124-V142 HydrophobicContact CB-CG1 3.97Å; K124-V142 HydrophobicContact CB-CG2 4.31Å; K124-V142 HydrophobicContact CD-CG1 3.72Å; K124-V142 HydrophobicContact CG-CG1 3.75Å; V135-V142 HydrophobicContact CG2-CB 4.24Å; V135-V142 HydrophobicContact CG2-CG2 4.34Å; V142-V145 PolarHBondContact O-N 2.8Å; V142-Y146 HydrophobicContact CG2-CD2 3.98Å; V142-Y146 WeakPolarHBondContact O-CA 3.4Å; V142-Y146 WeakPolarHBondContact O-CB 3.39Å; V142-Y146 PolarHBondContact O-N 3.39Å; V142-F150 HydrophobicContact CG2-CE2 4.06Å; V142-F150 HydrophobicContact CG2-CZ 3.81Å |
| 143 | D | 97.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.8 | -36.3 | 177.5 | -65.8 | -49.4 | 0 | 0 | 0 | 111.5 | K124 N141 V145 G147 | K124-D143 IonicContact NZ-OD1 3.05Å; K124-D143 PolarHBondContact NZ-OD1 2.84Å; K124-D143 IonicContact NZ-OD2 3.41Å; K124-D143 PolarHBondContact NZ-OD2 3.48Å; N141-D143 VanDerWaalsContact C-N 3.29Å; N141-D143 PolarHBondContact O-N 3.14Å; N141-D143 WeakPolarHBondContact OD1-CA 3.12Å; N141-D143 WeakPolarHBondContact OD1-CB 3.41Å; N141-D143 PolarHBondContact OD1-N 2.87Å; D143-V145 VanDerWaalsContact C-N 3.27Å; D143-V145 PolarHBondContact O-N 2.84Å; D143-G147 WeakPolarHBondContact O-CA 3.15Å; D143-G147 PolarHBondContact O-N 3.11Å; D143-G147 VanDerWaalsContact O-N 3.11Å |
| 144 | D | 97.8 | Very high | 97 | Very high | 100 Ų | 100 | 54.5 Ų | 54.5 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -29.1 | 176.5 | -59.1 | -48.6 | 0 | 0 | 0 | 112.5 | K140 N141 | K140-D144 HydrophobicContact CB-CB 4.25Å; N141-D144 PolarHBondContact N-OD2 3.2Å; N141-D144 PolarHBondContact ND2-OD2 2.99Å; N141-D144 PolarHBondContact O-N 2.91Å; N141-D144 PolarHBondContact OD1-N 2.92Å; N141-D144 PolarHBondContact OD1-OD2 2.86Å |
| 145 | V | 97.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -100.9 | -39.8 | -172 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | K55 V135 K140 N141 V142 D143 | K55-V145 HydrophobicContact CD-CG1 3.48Å; K55-V145 VanDerWaalsContact CD-CG1 3.48Å; V135-V145 HydrophobicContact CG1-CG2 4.22Å; V135-V145 HydrophobicContact CG2-CB 3.92Å; V135-V145 HydrophobicContact CG2-CG1 4.18Å; V135-V145 HydrophobicContact CG2-CG2 4.04Å; K140-V145 HydrophobicContact CB-CG2 4.04Å; K140-V145 HydrophobicContact CD-CG2 4.08Å; N141-V145 WeakPolarHBondContact O-CG2 3.42Å; N141-V145 PolarHBondContact O-N 3.28Å; V142-V145 PolarHBondContact O-N 2.8Å; D143-V145 VanDerWaalsContact C-N 3.27Å; D143-V145 PolarHBondContact O-N 2.84Å |
| 146 | Y | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -124.5 | 23.7 | -173.4 | -61.2 | -68.2 | 0 | 0 | 0 | 112.6 | D27 K55 I56 Y133 V135 V142 D148 Q149 F150 | D27-Y146 HydrophobicContact CB-CE1 4.35Å; D27-Y146 WeakPolarHBondContact OD2-CE1 3.45Å; D27-Y146 PolarHBondContact OD2-OH 2.9Å; D27-Y146 VanDerWaalsContact OD2-OH 3.14Å; K55-Y146 HydrophobicContact CB-CE2 4.11Å; K55-Y146 HydrophobicContact CD-CE2 4.49Å; I56-Y146 PolarHBondContact N-OH 2.63Å; Y133-Y146 AromaticContact CD1-CD1 3.59Å; Y133-Y146 HydrophobicContact CD1-CD1 3.59Å; Y133-Y146 AromaticContact CD1-CD2 3.59Å; Y133-Y146 HydrophobicContact CD1-CD2 3.59Å; Y133-Y146 AromaticContact CD1-CE1 3.84Å; Y133-Y146 HydrophobicContact CD1-CE1 3.84Å; Y133-Y146 AromaticContact CD1-CE2 3.8Å; Y133-Y146 HydrophobicContact CD1-CE2 3.8Å; Y133-Y146 AromaticContact CD1-CG 3.45Å; Y133-Y146 HydrophobicContact CD1-CG 3.45Å; Y133-Y146 VanDerWaalsContact CD1-CG 3.45Å; Y133-Y146 AromaticContact CD1-CZ 3.91Å; Y133-Y146 AromaticContact CE1-CD1 3.8Å; Y133-Y146 HydrophobicContact CE1-CD1 3.8Å; Y133-Y146 HydrophobicContact CE1-CE1 4.09Å; Y133-Y146 HydrophobicContact CE1-CG 4.04Å; Y133-Y146 HydrophobicContact CG-CD2 4.08Å; Y133-Y146 HydrophobicContact CG-CE2 4.48Å; Y133-Y146 HydrophobicContact CG-CG 4.15Å; V135-Y146 HydrophobicContact CG2-CD2 3.97Å; V135-Y146 HydrophobicContact CG2-CE2 3.83Å; V142-Y146 HydrophobicContact CG2-CD2 3.98Å; V142-Y146 WeakPolarHBondContact O-CA 3.4Å; V142-Y146 WeakPolarHBondContact O-CB 3.39Å; V142-Y146 PolarHBondContact O-N 3.39Å; Y146-D148 PolarHBondContact O-N 2.87Å; Y146-Q149 HydrophobicContact CD1-CG 4.32Å; Y146-Q149 WeakPolarHBondContact O-CB 3.12Å; Y146-Q149 PolarHBondContact O-N 3.34Å; Y146-F150 VanDerWaalsContact O-CD2 3.25Å; Y146-F150 WeakPolarHBondContact O-CD2 3.37Å; Y146-F150 VanDerWaalsContact O-CE2 3.26Å; Y146-F150 WeakPolarHBondContact O-CE2 3.08Å |
| 147 | G | 96.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 66 Ų | 66 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -54.8 | -23.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D143 Q149 | D143-G147 WeakPolarHBondContact O-CA 3.15Å; D143-G147 PolarHBondContact O-N 3.11Å; D143-G147 VanDerWaalsContact O-N 3.11Å; G147-Q149 VanDerWaalsContact C-N 3.35Å |
| 148 | D | 95.4 | Very high | 96.6 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 62% | 0.62 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -78.1 | -17.4 | 176 | 64.7 | -27.3 | 0 | 0 | 0 | 114 | K128 Y146 | K128-D148 PolarHBondContact NZ-O 2.72Å; Y146-D148 PolarHBondContact O-N 2.87Å |
| 149 | Q | 94 | Very high | 96.6 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -82.8 | -11.4 | -179.4 | -54.4 | -52.8 | -42 | 0 | 0 | 113.6 | S126 Y133 Y146 G147 | S126-Q149 VanDerWaalsContact CB-O 3.3Å; S126-Q149 WeakPolarHBondContact CB-O 3.17Å; S126-Q149 PolarHBondContact OG-O 3.03Å; Y133-Q149 HydrophobicContact CE1-CB 4.14Å; Y133-Q149 HydrophobicContact CE1-CG 3.79Å; Y133-Q149 HydrophobicContact CE2-CB 3.97Å; Y133-Q149 HydrophobicContact CE2-CG 4.49Å; Y133-Q149 PolarHBondContact OH-OE1 2.95Å; Y146-Q149 HydrophobicContact CD1-CG 4.32Å; Y146-Q149 WeakPolarHBondContact O-CB 3.12Å; Y146-Q149 PolarHBondContact O-N 3.34Å; G147-Q149 VanDerWaalsContact C-N 3.35Å |
| 150 | F | 91.7 | Very high | 96.5 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | trans | -101.8 | 0 | -178.6 | -54.2 | -65.8 | 0 | 0 | 0 | 111.7 | K124 K128 Y133 V142 Y146 | K124-F150 HydrophobicContact CB-CD1 4.23Å; K124-F150 HydrophobicContact CB-CE1 3.41Å; K124-F150 VanDerWaalsContact CB-CE1 3.41Å; K124-F150 HydrophobicContact CB-CE2 4.37Å; K124-F150 HydrophobicContact CB-CZ 3.5Å; K124-F150 HydrophobicContact CD-CD1 4.39Å; K124-F150 HydrophobicContact CD-CD2 4.47Å; K124-F150 HydrophobicContact CD-CE1 4.25Å; K124-F150 HydrophobicContact CD-CE2 4.29Å; K124-F150 HydrophobicContact CD-CZ 4.2Å; K124-F150 HydrophobicContact CG-CE1 4.45Å; K124-F150 HydrophobicContact CG-CZ 4.48Å; K128-F150 WeakPolarHBondContact CE-O 3.35Å; K128-F150 WeakPolarHBondContact CE-OXT 3.48Å; K128-F150 VanDerWaalsContact NZ-C 3.3Å; K128-F150 PolarHBondContact NZ-O 3.18Å; Y133-F150 AromaticContact CD2-CE1 3.87Å; Y133-F150 HydrophobicContact CD2-CE1 3.87Å; Y133-F150 AromaticContact CD2-CZ 3.84Å; Y133-F150 HydrophobicContact CD2-CZ 3.84Å; Y133-F150 HydrophobicContact CE2-CE1 4.49Å; Y133-F150 HydrophobicContact CG-CZ 4.05Å; V142-F150 HydrophobicContact CG2-CE2 4.06Å; V142-F150 HydrophobicContact CG2-CZ 3.81Å; Y146-F150 VanDerWaalsContact O-CD2 3.25Å; Y146-F150 WeakPolarHBondContact O-CD2 3.37Å; Y146-F150 VanDerWaalsContact O-CE2 3.26Å; Y146-F150 WeakPolarHBondContact O-CE2 3.08Å |
Retrieved 150 of 150 residues in 46.9 ms
(Link to these results)