| 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 | 41.6 | Very low | 79.1 | Confident | 239 Ų | 239 | 88.1 Ų | 88.1 | 100% | 1.177 | 46% | 0.462 | S | S | * | . | 0 | 103.3 | 0 | -62.4 | 171 | 84.4 | 0 | 0 | 105.1 | A3 | M1-A3 PolarHBondContact O-N 3.22Š| |||
| 2 | S | 46.5 | Very low | 80.6 | Confident | 117 Ų | 117 | 80.8 Ų | 80.8 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 120.2 | 172.8 | 44.6 | 0 | 0 | 0 | 0 | 106.6 | E4 | S2-E4 PolarHBondContact O-N 2.95Å; S2-E4 VanDerWaalsContact O-N 3.15Å |
| 3 | A | 58.8 | Low | 81.8 | Confident | 96 Ų | 96 | 74.5 Ų | 74.5 | 79% | 0.793 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 122.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | M1 E5 | M1-A3 PolarHBondContact O-N 3.22Å; A3-E5 PolarHBondContact O-N 3.24Å; A3-E5 VanDerWaalsContact O-N 3.11Å |
| 4 | E | 67 | Low | 82.7 | Confident | 185 Ų | 185 | 69.2 Ų | 69.2 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 122.1 | 171.5 | -84.6 | -176.1 | 146.5 | 0 | 0 | 107.3 | S2 E6 | S2-E4 PolarHBondContact O-N 2.95Å; S2-E4 VanDerWaalsContact O-N 3.15Å; E4-E6 PolarHBondContact O-N 2.87Å; E4-E6 VanDerWaalsContact O-N 3.17Å |
| 5 | E | 76.3 | Confident | 83.3 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 116.7 | 174.8 | -168.8 | -176.5 | 168.8 | 0 | 0 | 107.2 | A3 R7 | A3-E5 PolarHBondContact O-N 3.24Å; A3-E5 VanDerWaalsContact O-N 3.11Å; E5-R7 PolarHBondContact O-N 2.89Å |
| 6 | E | 92.1 | Very high | 83.8 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.8 | -178.4 | -175.8 | -173.1 | -114.9 | 0 | 0 | 108.8 | E4 F8 K53 T55 R56 R169 | E4-E6 PolarHBondContact O-N 2.87Å; E4-E6 VanDerWaalsContact O-N 3.17Å; E6-F8 HydrophobicContact CG-CD2 4.25Å; E6-F8 HydrophobicContact CG-CE1 4.46Å; E6-F8 HydrophobicContact CG-CE2 3.43Å; E6-F8 VanDerWaalsContact CG-CE2 3.43Å; E6-F8 HydrophobicContact CG-CZ 3.56Å; E6-K53 VanDerWaalsContact CD-NZ 3.26Å; E6-K53 WeakPolarHBondContact OE1-CE 3.32Å; E6-K53 IonicContact OE1-NZ 3.83Å; E6-K53 PolarHBondContact OE1-NZ 3.43Å; E6-K53 IonicContact OE2-NZ 2.68Å; E6-T55 HydrophobicContact CG-CG2 4.16Å; E6-T55 CarbonylContact O-C 3.53Å; E6-T55 WeakPolarHBondContact O-CA 3.45Å; E6-T55 WeakPolarHBondContact OE2-CB 3.48Å; E6-T55 WeakPolarHBondContact OE2-CG2 3.39Å; E6-T55 PolarHBondContact OE2-OG1 3Å; E6-R56 PolarHBondContact O-N 2.99Å; E6-R169 IonicContact OE1-CZ 3.36Å; E6-R169 IonicContact OE1-NE 3.16Å; E6-R169 PolarHBondContact OE1-NE 3.34Å; E6-R169 IonicContact OE1-NH2 3.53Å; E6-R169 IonicContact OE2-CZ 3.68Å; E6-R169 IonicContact OE2-NE 3.54Å; E6-R169 IonicContact OE2-NH2 3.1Å; E6-R169 PolarHBondContact OE2-NH2 3.34Å |
| 7 | R | 95.7 | Very high | 84.2 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.5 | -176.6 | 178.7 | -179.8 | 168.6 | -108.6 | 7.3 | 110.7 | E5 R56 D58 | E5-R7 PolarHBondContact O-N 2.89Å; R7-R56 CarbonylContact C-O 3.54Å; R7-R56 VanDerWaalsContact CA-O 3.22Å; R7-R56 WeakPolarHBondContact CA-O 3.37Å; R7-R56 HydrophobicContact CB-CB 4.35Å; R7-R56 HydrophobicContact CG-CB 4.43Å; R7-R56 HydrophobicContact CG-CG 4.35Å; R7-D58 IonicContact CZ-OD2 2.85Å; R7-D58 IonicContact NE-OD2 3.51Å; R7-D58 PolarHBondContact NE-OD2 3.21Å; R7-D58 IonicContact NH2-OD2 3.54Å; R7-D58 PolarHBondContact NH2-OD2 2.9Å |
| 8 | F | 97.8 | Very high | 84.8 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.3 | 174.4 | -60.1 | -64.7 | 0 | 0 | 0 | 112 | E6 L10 T55 R56 L57 D58 V165 I168 R169 | E6-F8 HydrophobicContact CG-CD2 4.25Å; E6-F8 HydrophobicContact CG-CE1 4.46Å; E6-F8 HydrophobicContact CG-CE2 3.43Å; E6-F8 VanDerWaalsContact CG-CE2 3.43Å; E6-F8 HydrophobicContact CG-CZ 3.56Å; F8-L10 HydrophobicContact CB-CD2 4.26Å; F8-T55 HydrophobicContact CD2-CG2 3.48Å; F8-T55 VanDerWaalsContact CD2-CG2 3.48Å; F8-T55 HydrophobicContact CE2-CG2 3.7Å; F8-R56 PolarHBondContact N-O 3.4Å; F8-L57 HydrophobicContact CB-CD2 4.27Å; F8-L57 HydrophobicContact CD2-CD2 4.32Å; F8-D58 PolarHBondContact O-N 2.81Å; F8-V165 HydrophobicContact CD2-CG1 3.78Å; F8-V165 HydrophobicContact CD2-CG2 4.28Å; F8-V165 HydrophobicContact CE2-CG1 3.6Å; F8-I168 HydrophobicContact CB-CD1 4.08Å; F8-I168 HydrophobicContact CD1-CB 4.43Å; F8-I168 HydrophobicContact CD1-CD1 4.27Å; F8-I168 HydrophobicContact CD1-CG2 3.6Å; F8-I168 HydrophobicContact CE1-CB 4.45Å; F8-I168 HydrophobicContact CE1-CG2 3.54Å; F8-I168 HydrophobicContact CG-CD1 4.22Å; F8-I168 HydrophobicContact CG-CG2 4.46Å; F8-I168 HydrophobicContact CZ-CG2 4.37Å; F8-R169 HydrophobicContact CE2-CG 4.44Å; F8-R169 HydrophobicContact CZ-CG 4.01Å |
| 9 | K | 98 | Very high | 85.4 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.2 | 171.6 | -63.2 | 173.6 | -172.2 | 173.8 | 0 | 111 | D58 E80 G81 | K9-D58 CarbonylContact C-O 3.58Å; K9-D58 VanDerWaalsContact CA-O 3.31Å; K9-D58 WeakPolarHBondContact CA-O 3.39Å; K9-E80 HydrophobicContact CB-CG 4.3Å; K9-E80 WeakPolarHBondContact CG-OE1 3.39Å; K9-E80 PolarHBondContact N-OE1 2.8Å; K9-E80 PolarHBondContact O-N 3.02Å; K9-G81 PolarHBondContact O-N 3.45Å |
| 10 | L | 98.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 143.9 | 176.7 | -51.7 | -169.2 | 0 | 0 | 0 | 110.1 | F8 L57 D58 I59 L60 G81 L83 F161 V164 V165 I168 | F8-L10 HydrophobicContact CB-CD2 4.26Å; L10-L57 HydrophobicContact CD1-CD1 4.14Å; L10-L57 HydrophobicContact CD1-CD2 4.32Å; L10-D58 PolarHBondContact N-O 3.46Å; L10-I59 HydrophobicContact CB-CG1 4.35Å; L10-I59 WeakPolarHBondContact O-CA 3.26Å; L10-L60 PolarHBondContact O-N 3.03Å; L10-G81 WeakPolarHBondContact CA-O 3.26Å; L10-L83 HydrophobicContact CB-CD1 4.45Å; L10-F161 HydrophobicContact CD1-CD1 4.16Å; L10-V164 HydrophobicContact CD2-CB 4.42Å; L10-V164 HydrophobicContact CD2-CG1 3.65Å; L10-V165 HydrophobicContact CD1-CG2 4.4Å; L10-I168 HydrophobicContact CD2-CD1 3.47Å; L10-I168 VanDerWaalsContact CD2-CD1 3.47Å |
| 11 | V | 97.6 | Very high | 86.2 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | V13 L60 T62 Y75 G81 F82 L83 | V11-V13 HydrophobicContact CG1-CG1 3.82Å; V11-L60 HydrophobicContact CG1-CB 4.37Å; V11-L60 HydrophobicContact CG1-CD2 4.31Å; V11-L60 HydrophobicContact CG2-CB 4.3Å; V11-T62 HydrophobicContact CG1-CG2 3.76Å; V11-Y75 HydrophobicContact CG1-CD2 3.85Å; V11-Y75 HydrophobicContact CG1-CG 4.19Å; V11-G81 PolarHBondContact N-O 3.09Å; V11-F82 HydrophobicContact CB-CD1 3.69Å; V11-F82 HydrophobicContact CB-CE1 3.76Å; V11-F82 HydrophobicContact CG1-CD1 4.23Å; V11-F82 HydrophobicContact CG1-CE1 4.22Å; V11-F82 HydrophobicContact CG2-CD1 4.37Å; V11-F82 HydrophobicContact CG2-CE1 3.97Å; V11-F82 CarbonylContact O-C 3.56Å; V11-F82 VanDerWaalsContact O-CA 3.31Å; V11-F82 WeakPolarHBondContact O-CA 3.39Å; V11-L83 PolarHBondContact O-N 3.13Å |
| 12 | V | 97.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.1 | 177.5 | -166.7 | 0 | 0 | 0 | 0 | 108.7 | K20 I59 L60 T62 L83 V85 F161 | V12-K20 HydrophobicContact CB-CB 4.45Å; V12-K20 HydrophobicContact CG1-CB 3.66Å; V12-K20 HydrophobicContact CG1-CD 4.12Å; V12-K20 HydrophobicContact CG1-CG 3.89Å; V12-I59 HydrophobicContact CG2-CG2 3.93Å; V12-L60 PolarHBondContact N-O 3.16Å; V12-T62 WeakPolarHBondContact O-CG2 3.33Å; V12-T62 PolarHBondContact O-N 3.02Å; V12-T62 PolarHBondContact O-OG1 3.23Å; V12-T62 VanDerWaalsContact O-OG1 3.12Å; V12-L83 HydrophobicContact CG1-CB 4.19Å; V12-L83 HydrophobicContact CG2-CB 4.49Å; V12-L83 HydrophobicContact CG2-CD1 4.27Å; V12-V85 HydrophobicContact CG1-CG2 3.59Å; V12-F161 HydrophobicContact CG2-CE1 4.03Å; V12-F161 HydrophobicContact CG2-CZ 4.43Å |
| 13 | V | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 157.9 | -177.5 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | V11 K20 T62 Y75 F82 L83 L84 V85 F100 I104 | V11-V13 HydrophobicContact CG1-CG1 3.82Å; V13-K20 VanDerWaalsContact C-CD 3.47Å; V13-T62 HydrophobicContact CG1-CG2 4.34Å; V13-Y75 HydrophobicContact CG1-CD2 4.45Å; V13-Y75 HydrophobicContact CG1-CE2 3.88Å; V13-F82 HydrophobicContact CG1-CD1 4.48Å; V13-L83 WeakPolarHBondContact CG2-O 3.31Å; V13-L83 PolarHBondContact N-O 3.35Å; V13-L84 HydrophobicContact CG2-CG 4.21Å; V13-V85 PolarHBondContact O-N 3.28Å; V13-F100 HydrophobicContact CB-CD1 3.85Å; V13-F100 HydrophobicContact CB-CE1 4.03Å; V13-F100 HydrophobicContact CB-CG 4.34Å; V13-F100 HydrophobicContact CG1-CD1 4.47Å; V13-F100 HydrophobicContact CG2-CB 4.26Å; V13-F100 HydrophobicContact CG2-CD1 4.1Å; V13-F100 HydrophobicContact CG2-CG 4.22Å; V13-I104 HydrophobicContact CG2-CD1 4.21Å |
| 14 | G | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 146.6 | 168.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K20 G64 V85 | G14-K20 PolarHBondContact O-NZ 3.15Å; G14-G64 WeakPolarHBondContact O-CA 3.42Å; G14-V85 VanDerWaalsContact CA-O 3.31Å; G14-V85 WeakPolarHBondContact CA-O 3.32Å | ||
| 15 | G | 92.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -60.5 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V18 K20 G64 E96 | G15-V18 WeakPolarHBondContact O-CG1 3.35Å; G15-V18 VanDerWaalsContact O-CG2 3.26Å; G15-V18 WeakPolarHBondContact O-CG2 3.49Å; G15-K20 PolarHBondContact O-NZ 3.11Å; G15-K20 VanDerWaalsContact O-NZ 3.1Å; G15-G64 CarbonylContact C-O 3.59Å; G15-E96 WeakPolarHBondContact CA-OE2 3.31Å |
| 16 | G | 90.4 | Very high | 95 | Very high | 35 Ų | 35 | 20 Ų | 20 | 36% | 0.361 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 138.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V18 G64 | G16-V18 PolarHBondContact O-N 3.41Å; G16-V18 VanDerWaalsContact O-N 3.09Å; G16-G64 PolarHBondContact N-O 3.01Å |
| 17 | G | 90.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 19 Ų | 19 | 34% | 0.34 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 6.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G19 K121 | G17-G19 PolarHBondContact O-N 3.34Å; G17-K121 WeakPolarHBondContact O-CE 3.44Å; G17-K121 PolarHBondContact O-NZ 3.09Å |
| 18 | V | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -70.6 | -18.1 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | G15 G16 K20 V85 A87 S93 N120 | G15-V18 WeakPolarHBondContact O-CG1 3.35Å; G15-V18 VanDerWaalsContact O-CG2 3.26Å; G15-V18 WeakPolarHBondContact O-CG2 3.49Å; G16-V18 PolarHBondContact O-N 3.41Å; G16-V18 VanDerWaalsContact O-N 3.09Å; V18-K20 HydrophobicContact CG2-CD 4.34Å; V18-K20 HydrophobicContact CG2-CG 3.58Å; V18-V85 HydrophobicContact CB-CG1 4.37Å; V18-V85 HydrophobicContact CG2-CB 4.12Å; V18-V85 HydrophobicContact CG2-CG1 3.85Å; V18-A87 HydrophobicContact CB-CB 4.32Å; V18-A87 HydrophobicContact CG1-CB 4.42Å; V18-S93 VanDerWaalsContact CG1-CB 3.41Å; V18-N120 PolarHBondContact O-ND2 3.32Å |
| 19 | G | 95.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 20.4 Ų | 20.4 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 97.6 | 33.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G17 A22 L23 N120 | G17-G19 PolarHBondContact O-N 3.34Å; G19-A22 PolarHBondContact O-N 3.42Å; G19-L23 WeakPolarHBondContact O-CG 3.31Å; G19-L23 PolarHBondContact O-N 3.18Å; G19-N120 PolarHBondContact O-ND2 2.94Å |
| 20 | K | 95.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 20 Ų | 20 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.3 | -56.4 | 173.3 | -58 | -169.4 | -61.6 | -74.2 | 0 | 111.5 | V12 V13 G14 G15 V18 A22 L23 T24 D61 T62 G64 V85 | V12-K20 HydrophobicContact CB-CB 4.45Å; V12-K20 HydrophobicContact CG1-CB 3.66Å; V12-K20 HydrophobicContact CG1-CD 4.12Å; V12-K20 HydrophobicContact CG1-CG 3.89Å; V13-K20 VanDerWaalsContact C-CD 3.47Å; G14-K20 PolarHBondContact O-NZ 3.15Å; G15-K20 PolarHBondContact O-NZ 3.11Å; G15-K20 VanDerWaalsContact O-NZ 3.1Å; V18-K20 HydrophobicContact CG2-CD 4.34Å; V18-K20 HydrophobicContact CG2-CG 3.58Å; K20-A22 VanDerWaalsContact C-N 3.28Å; K20-A22 PolarHBondContact O-N 3.16Å; K20-L23 WeakPolarHBondContact O-CB 3.39Å; K20-L23 PolarHBondContact O-N 2.84Å; K20-L23 VanDerWaalsContact O-N 3.09Å; K20-T24 PolarHBondContact O-N 3.13Å; K20-T24 PolarHBondContact O-OG1 3.23Å; K20-T24 VanDerWaalsContact O-OG1 3.09Å; K20-D61 WeakPolarHBondContact CB-OD1 3.36Å; K20-T62 WeakPolarHBondContact CE-O 3.43Å; K20-G64 VanDerWaalsContact NZ-N 3.14Å; K20-V85 HydrophobicContact CG-CB 4.15Å; K20-V85 HydrophobicContact CG-CG2 4.41Å |
| 21 | S | 93.6 | Very high | 91.7 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 20% | 0.203 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 176.6 | -36.6 | 0 | 0 | 0 | 0 | 112 | L23 T24 I25 T39 D61 | S21-L23 PolarHBondContact O-N 3.18Å; S21-T24 PolarHBondContact O-N 2.68Å; S21-I25 VanDerWaalsContact O-CB 3.28Å; S21-I25 WeakPolarHBondContact O-CB 3.4Å; S21-I25 WeakPolarHBondContact O-CD1 3.5Å; S21-I25 WeakPolarHBondContact O-CG1 3.35Å; S21-I25 PolarHBondContact O-N 2.72Å; S21-T39 PolarHBondContact OG-OG1 3.1Å; S21-D61 WeakPolarHBondContact CA-OD2 3.47Å; S21-D61 WeakPolarHBondContact CB-OD2 3.34Å; S21-D61 PolarHBondContact N-OD1 3.36Å; S21-D61 PolarHBondContact OG-OD2 3.21Å |
| 22 | A | 94.5 | Very high | 89.7 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G19 K20 Q26 F32 A151 | G19-A22 PolarHBondContact O-N 3.42Å; K20-A22 VanDerWaalsContact C-N 3.28Å; K20-A22 PolarHBondContact O-N 3.16Å; A22-Q26 WeakPolarHBondContact O-CB 3.22Å; A22-Q26 PolarHBondContact O-N 3.31Å; A22-F32 HydrophobicContact CB-CE2 4.1Å; A22-A151 HydrophobicContact CB-CB 3.69Å |
| 23 | L | 96.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -47.9 | 173.7 | -74 | 171.3 | 0 | 0 | 0 | 111.1 | G19 K20 S21 Q26 F27 V85 V118 N120 A149 A151 V157 F161 | G19-L23 WeakPolarHBondContact O-CG 3.31Å; G19-L23 PolarHBondContact O-N 3.18Å; K20-L23 WeakPolarHBondContact O-CB 3.39Å; K20-L23 PolarHBondContact O-N 2.84Å; K20-L23 VanDerWaalsContact O-N 3.09Å; S21-L23 PolarHBondContact O-N 3.18Å; L23-Q26 PolarHBondContact O-N 2.62Å; L23-F27 WeakPolarHBondContact O-CB 3.25Å; L23-F27 PolarHBondContact O-N 3.43Å; L23-V85 HydrophobicContact CD1-CG1 3.79Å; L23-V85 HydrophobicContact CD1-CG2 4.07Å; L23-V118 HydrophobicContact CD1-CG1 4.08Å; L23-N120 HydrophobicContact CD1-CB 4.26Å; L23-A149 HydrophobicContact CD2-CB 4.08Å; L23-A151 HydrophobicContact CD2-CB 3.94Å; L23-A151 HydrophobicContact CG-CB 4.2Å; L23-V157 HydrophobicContact CD2-CG1 4.42Å; L23-V157 HydrophobicContact CD2-CG2 3.83Å; L23-V157 WeakPolarHBondContact O-CG1 3.35Å; L23-F161 HydrophobicContact CB-CE2 4.4Å; L23-F161 HydrophobicContact CB-CZ 4.47Å |
| 24 | T | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | -178.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | K20 S21 Q26 F27 I28 Y44 I59 D61 | K20-T24 PolarHBondContact O-N 3.13Å; K20-T24 PolarHBondContact O-OG1 3.23Å; K20-T24 VanDerWaalsContact O-OG1 3.09Å; S21-T24 PolarHBondContact O-N 2.68Å; T24-Q26 PolarHBondContact O-N 3.48Å; T24-F27 WeakPolarHBondContact O-CB 3.45Å; T24-F27 PolarHBondContact O-N 2.71Å; T24-I28 HydrophobicContact CG2-CD1 3.54Å; T24-I28 VanDerWaalsContact O-CD1 3.27Å; T24-I28 WeakPolarHBondContact O-CD1 3.41Å; T24-I28 VanDerWaalsContact O-CG1 3.27Å; T24-I28 WeakPolarHBondContact O-CG1 3.33Å; T24-I28 PolarHBondContact O-N 2.99Å; T24-Y44 HydrophobicContact CG2-CD2 3.5Å; T24-Y44 VanDerWaalsContact CG2-CD2 3.5Å; T24-Y44 HydrophobicContact CG2-CE2 3.76Å; T24-Y44 HydrophobicContact CG2-CG 4.24Å; T24-I59 HydrophobicContact CG2-CG2 3.81Å; T24-D61 HydrophobicContact CG2-CB 4.34Å |
| 25 | I | 92.7 | Very high | 85 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 179 | -66.8 | 166.2 | 0 | 0 | 0 | 110.7 | S21 F27 I28 Q29 | S21-I25 VanDerWaalsContact O-CB 3.28Å; S21-I25 WeakPolarHBondContact O-CB 3.4Å; S21-I25 WeakPolarHBondContact O-CD1 3.5Å; S21-I25 WeakPolarHBondContact O-CG1 3.35Å; S21-I25 PolarHBondContact O-N 2.72Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 3.2Å; I25-I28 PolarHBondContact O-N 3.43Å; I25-Q29 HydrophobicContact CG2-CG 4.44Å; I25-Q29 WeakPolarHBondContact O-CB 3.42Å; I25-Q29 PolarHBondContact O-N 3.45Å |
| 26 | Q | 94.4 | Very high | 83.2 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.8 | -177.1 | 72 | -67.2 | 0 | 0 | 111.3 | A22 L23 T24 S30 Y31 A151 R154 V157 | A22-Q26 WeakPolarHBondContact O-CB 3.22Å; A22-Q26 PolarHBondContact O-N 3.31Å; L23-Q26 PolarHBondContact O-N 2.62Å; T24-Q26 PolarHBondContact O-N 3.48Å; Q26-S30 VanDerWaalsContact O-CA 3.3Å; Q26-S30 WeakPolarHBondContact O-CA 3.3Å; Q26-S30 PolarHBondContact O-N 2.8Å; Q26-Y31 PolarHBondContact OE1-O 3.17Å; Q26-A151 WeakPolarHBondContact CG-O 3.36Å; Q26-A151 PolarHBondContact NE2-O 3.39Å; Q26-R154 HydrophobicContact CG-CB 4.22Å; Q26-R154 HydrophobicContact CG-CG 3.96Å; Q26-V157 HydrophobicContact CB-CG1 4.13Å; Q26-V157 HydrophobicContact CG-CB 4.47Å; Q26-V157 HydrophobicContact CG-CG1 4.06Å; Q26-V157 HydrophobicContact CG-CG2 4.18Å |
| 27 | F | 95.3 | Very high | 81.9 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.2 | 178.8 | -125.2 | 0 | 0 | 0 | 112.2 | L23 T24 I25 K46 L57 I59 V157 D158 F161 | L23-F27 WeakPolarHBondContact O-CB 3.25Å; L23-F27 PolarHBondContact O-N 3.43Å; T24-F27 WeakPolarHBondContact O-CB 3.45Å; T24-F27 PolarHBondContact O-N 2.71Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 3.2Å; F27-K46 HydrophobicContact CD1-CD 3.72Å; F27-K46 HydrophobicContact CD2-CD 4.27Å; F27-K46 HydrophobicContact CE1-CB 4.45Å; F27-K46 HydrophobicContact CE1-CD 3.3Å; F27-K46 HydrophobicContact CE1-CG 4.48Å; F27-K46 HydrophobicContact CE2-CD 3.91Å; F27-K46 HydrophobicContact CG-CD 4.2Å; F27-K46 HydrophobicContact CZ-CD 3.42Å; F27-K46 VanDerWaalsContact CZ-CD 3.42Å; F27-K46 WeakPolarHBondContact O-CE 3.31Å; F27-K46 PolarHBondContact O-NZ 3.22Å; F27-L57 HydrophobicContact CE1-CD1 3.9Å; F27-L57 HydrophobicContact CZ-CD1 3.95Å; F27-I59 HydrophobicContact CD1-CD1 3.71Å; F27-I59 HydrophobicContact CE1-CD1 3.74Å; F27-V157 HydrophobicContact CB-CG1 3.89Å; F27-D158 HydrophobicContact CD2-CB 4.26Å; F27-D158 WeakPolarHBondContact CD2-OD1 3.26Å; F27-D158 HydrophobicContact CE2-CB 4.24Å; F27-F161 HydrophobicContact CB-CD2 3.72Å; F27-F161 HydrophobicContact CB-CE2 3.54Å; F27-F161 HydrophobicContact CB-CZ 4.24Å; F27-F161 HydrophobicContact CD1-CB 4.09Å; F27-F161 AromaticContact CD1-CD1 3.96Å; F27-F161 HydrophobicContact CD1-CD1 3.96Å; F27-F161 AromaticContact CD1-CD2 3.61Å; F27-F161 HydrophobicContact CD1-CD2 3.61Å; F27-F161 HydrophobicContact CD1-CE1 4.3Å; F27-F161 AromaticContact CD1-CE2 4Å; F27-F161 HydrophobicContact CD1-CE2 4Å; F27-F161 AromaticContact CD1-CG 3.6Å; F27-F161 HydrophobicContact CD1-CG 3.6Å; F27-F161 HydrophobicContact CD1-CZ 4.33Å; F27-F161 HydrophobicContact CD2-CB 4.41Å; F27-F161 AromaticContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CG 4.33Å; F27-F161 HydrophobicContact CE1-CB 3.68Å; F27-F161 HydrophobicContact CE1-CD1 4.1Å; F27-F161 HydrophobicContact CE1-CD2 4.11Å; F27-F161 AromaticContact CE1-CG 3.7Å; F27-F161 HydrophobicContact CE1-CG 3.7Å; F27-F161 HydrophobicContact CE2-CB 4.05Å; F27-F161 HydrophobicContact CE2-CD2 4.35Å; F27-F161 HydrophobicContact CE2-CG 4.43Å; F27-F161 HydrophobicContact CG-CB 4.43Å; F27-F161 AromaticContact CG-CD2 3.45Å; F27-F161 HydrophobicContact CG-CD2 3.45Å; F27-F161 VanDerWaalsContact CG-CD2 3.45Å; F27-F161 AromaticContact CG-CE2 3.8Å; F27-F161 HydrophobicContact CG-CE2 3.8Å; F27-F161 AromaticContact CG-CG 3.93Å; F27-F161 HydrophobicContact CG-CG 3.93Å; F27-F161 HydrophobicContact CZ-CB 3.65Å; F27-F161 HydrophobicContact CZ-CD2 4.45Å; F27-F161 HydrophobicContact CZ-CG 4.12Å |
| 28 | I | 90.8 | Very high | 80.5 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75 | -52.7 | -175 | -65.4 | 155.2 | 0 | 0 | 0 | 111.4 | T24 I25 Y44 K46 | T24-I28 HydrophobicContact CG2-CD1 3.54Å; T24-I28 VanDerWaalsContact O-CD1 3.27Å; T24-I28 WeakPolarHBondContact O-CD1 3.41Å; T24-I28 VanDerWaalsContact O-CG1 3.27Å; T24-I28 WeakPolarHBondContact O-CG1 3.33Å; T24-I28 PolarHBondContact O-N 2.99Å; I25-I28 PolarHBondContact O-N 3.43Å; I28-Y44 HydrophobicContact CD1-CD1 3.61Å; I28-Y44 HydrophobicContact CD1-CD2 3.87Å; I28-Y44 HydrophobicContact CD1-CE1 4.41Å; I28-Y44 HydrophobicContact CD1-CG 3.28Å; I28-K46 PolarHBondContact O-NZ 3.5Å |
| 29 | Q | 82.4 | Confident | 79 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -98.9 | -9.5 | -166.2 | -58.5 | -176.8 | 12.5 | 0 | 0 | 113.4 | I25 Y31 | I25-Q29 HydrophobicContact CG2-CG 4.44Å; I25-Q29 WeakPolarHBondContact O-CB 3.42Å; I25-Q29 PolarHBondContact O-N 3.45Å; Q29-Y31 PolarHBondContact O-N 3.27Å |
| 30 | S | 76.4 | Confident | 77.6 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 47% | 0.469 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 55 | 30.2 | -170.1 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | Q26 R154 | Q26-S30 VanDerWaalsContact O-CA 3.3Å; Q26-S30 WeakPolarHBondContact O-CA 3.3Å; Q26-S30 PolarHBondContact O-N 2.8Å; S30-R154 PolarHBondContact OG-NH1 2.85Å; S30-R154 PolarHBondContact OG-NH2 2.82Å |
| 31 | Y | 67.4 | Low | 76.3 | Confident | 146 Ų | 146 | 68.3 Ų | 68.3 | 57% | 0.573 | 36% | 0.358 | S | S | * | . | trans | -134.6 | 140.6 | -177.7 | -175.5 | -105 | 0 | 0 | 0 | 110.4 | Q26 Q29 V33 | Q26-Y31 PolarHBondContact OE1-O 3.17Å; Q29-Y31 PolarHBondContact O-N 3.27Å; Y31-V33 HydrophobicContact CD1-CG2 3.78Å; Y31-V33 HydrophobicContact CE1-CG2 3.66Å | ||
| 32 | F | 56.4 | Low | 76 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | trans | -107.3 | 122.2 | 175.9 | -179.6 | -98.5 | 0 | 0 | 0 | 110.1 | A22 A151 K152 | A22-F32 HydrophobicContact CB-CE2 4.1Å; F32-A151 HydrophobicContact CD2-CB 4.35Å; F32-A151 HydrophobicContact CE2-CB 4.17Å; F32-K152 HydrophobicContact CE1-CG 4.44Å; F32-K152 HydrophobicContact CE2-CB 4.23Å; F32-K152 HydrophobicContact CZ-CB 4.25Å | ||
| 33 | V | 64.3 | Low | 75.7 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -96 | 122.7 | 172.7 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | Y31 D35 | Y31-V33 HydrophobicContact CD1-CG2 3.78Å; Y31-V33 HydrophobicContact CE1-CG2 3.66Å; V33-D35 HydrophobicContact CG1-CB 4.1Å | ||
| 34 | S | 59.7 | Low | 75.5 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | trans | -80.4 | -19.7 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 35 | D | 64.8 | Low | 75.5 | Confident | 136 Ų | 136 | 78.9 Ų | 78.9 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -78.1 | 125.3 | -178.3 | -60.6 | -30.8 | 0 | 0 | 0 | 110 | V33 | V33-D35 HydrophobicContact CG1-CB 4.1Š|
| 36 | Y | 54.6 | Low | 75.5 | Confident | 160 Ų | 160 | 79.4 Ų | 79.4 | 63% | 0.627 | 42% | 0.416 | S | S | * | . | trans | -91.3 | 107.6 | -179.3 | -178.8 | -100.8 | 0 | 0 | 0 | 109.9 | P38 | Y36-P38 HydrophobicContact CD1-CG 4.35Å; Y36-P38 HydrophobicContact CE1-CB 4.42Å; Y36-P38 HydrophobicContact CE1-CG 3.81Å | ||
| 37 | D | 62.8 | Low | 75.5 | Confident | 137 Ų | 137 | 83.2 Ų | 83.2 | 73% | 0.733 | 44% | 0.436 | S | S | * | . | trans | -104.8 | 120.1 | 163.8 | -164.5 | 4.7 | 0 | 0 | 0 | 108.3 | T39 | D37-T39 PolarHBondContact O-N 3.11Š| ||
| 38 | P | 62 | Low | 75.5 | Confident | 73 Ų | 73 | 84.1 Ų | 84.1 | 47% | 0.474 | 44% | 0.443 | S | S | . | . | trans | -57.4 | 112.4 | 177.7 | -22.6 | 31.5 | 0 | 0 | 0 | 112.2 | Y36 | Y36-P38 HydrophobicContact CD1-CG 4.35Å; Y36-P38 HydrophobicContact CE1-CB 4.42Å; Y36-P38 HydrophobicContact CE1-CG 3.81Å | ||
| 39 | T | 65.1 | Low | 75.7 | Confident | 26 Ų | 26 | 86.7 Ų | 86.7 | 16% | 0.16 | 46% | 0.46 | C | S | . | . | trans | -65.4 | 139.6 | 175 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | S21 D37 D42 A63 | S21-T39 PolarHBondContact OG-OG1 3.1Å; D37-T39 PolarHBondContact O-N 3.11Å; T39-D42 HydrophobicContact CG2-CB 4.41Å; T39-A63 WeakPolarHBondContact O-CA 3.3Å; T39-A63 WeakPolarHBondContact O-CB 3.31Å | ||
| 40 | I | 65.4 | Low | 76.3 | Confident | 137 Ų | 137 | 81.4 Ų | 81.4 | 70% | 0.703 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -94 | -63.2 | 169.6 | -61.4 | 176.1 | 0 | 0 | 0 | 108.9 | A63 | I40-A63 WeakPolarHBondContact O-CB 3.47Å; I40-A63 PolarHBondContact O-N 3.36Å |
| 41 | E | 68.8 | Low | 77.2 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 33% | 0.332 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 123.4 | 169.8 | -176.6 | -179.8 | 110.8 | 0 | 0 | 106.5 | L60 D61 | E41-L60 HydrophobicContact CG-CD1 3.49Å; E41-L60 VanDerWaalsContact CG-CD1 3.49Å; E41-L60 HydrophobicContact CG-CD2 4.48Å; E41-L60 HydrophobicContact CG-CG 4.1Å; E41-D61 WeakPolarHBondContact CA-O 3.47Å |
| 42 | D | 85.4 | Confident | 78.4 | Confident | 69 Ų | 69 | 79.9 Ų | 79.9 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.8 | 178.6 | -75.8 | -51.1 | 0 | 0 | 0 | 110.7 | T39 Y44 D61 | T39-D42 HydrophobicContact CG2-CB 4.41Å; D42-Y44 HydrophobicContact CB-CD2 4.33Å; D42-Y44 HydrophobicContact CB-CE2 3.46Å; D42-Y44 VanDerWaalsContact CB-CE2 3.46Å; D42-D61 HydrophobicContact CB-CB 4.5Å; D42-D61 PolarHBondContact N-O 2.96Å; D42-D61 PolarHBondContact O-N 2.99Å |
| 43 | S | 89 | Confident | 80.2 | Confident | 92 Ų | 92 | 81.1 Ų | 81.1 | 64% | 0.643 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.3 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | I59 | S43-I59 WeakPolarHBondContact CA-O 3.42Å |
| 44 | Y | 92.9 | Very high | 81.7 | Confident | 48 Ų | 48 | 84.3 Ų | 84.3 | 19% | 0.188 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.1 | -178.4 | -57.3 | -85.5 | 0 | 0 | 0 | 111.1 | T24 I28 D42 D58 I59 D61 | T24-Y44 HydrophobicContact CG2-CD2 3.5Å; T24-Y44 VanDerWaalsContact CG2-CD2 3.5Å; T24-Y44 HydrophobicContact CG2-CE2 3.76Å; T24-Y44 HydrophobicContact CG2-CG 4.24Å; I28-Y44 HydrophobicContact CD1-CD1 3.61Å; I28-Y44 HydrophobicContact CD1-CD2 3.87Å; I28-Y44 HydrophobicContact CD1-CE1 4.41Å; I28-Y44 HydrophobicContact CD1-CG 3.28Å; D42-Y44 HydrophobicContact CB-CD2 4.33Å; D42-Y44 HydrophobicContact CB-CE2 3.46Å; D42-Y44 VanDerWaalsContact CB-CE2 3.46Å; Y44-D58 CarbonylContact O-C 3.47Å; Y44-D58 WeakPolarHBondContact O-CA 3.48Å; Y44-I59 PolarHBondContact N-O 3.17Å; Y44-I59 PolarHBondContact O-N 3.35Å; Y44-D61 HydrophobicContact CE2-CB 4.06Å |
| 45 | T | 94.4 | Very high | 83.5 | Confident | 67 Ų | 67 | 79.7 Ų | 79.7 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.5 | 171.1 | -65 | 0 | 0 | 0 | 0 | 110.1 | R56 L57 D58 | T45-R56 HydrophobicContact CG2-CG 3.89Å; T45-L57 CarbonylContact C-O 3.57Å; T45-L57 VanDerWaalsContact CA-O 3.28Å; T45-L57 WeakPolarHBondContact CA-O 3.31Å; T45-D58 WeakPolarHBondContact CG2-OD1 3.21Å; T45-D58 PolarHBondContact OG1-OD1 2.96Å |
| 46 | K | 93.9 | Very high | 85 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 18% | 0.183 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.4 | 170.8 | -168.9 | -168.9 | 177.9 | 77.6 | 0 | 110.2 | F27 I28 L57 | F27-K46 HydrophobicContact CD1-CD 3.72Å; F27-K46 HydrophobicContact CD2-CD 4.27Å; F27-K46 HydrophobicContact CE1-CB 4.45Å; F27-K46 HydrophobicContact CE1-CD 3.3Å; F27-K46 HydrophobicContact CE1-CG 4.48Å; F27-K46 HydrophobicContact CE2-CD 3.91Å; F27-K46 HydrophobicContact CG-CD 4.2Å; F27-K46 HydrophobicContact CZ-CD 3.42Å; F27-K46 VanDerWaalsContact CZ-CD 3.42Å; F27-K46 WeakPolarHBondContact O-CE 3.31Å; F27-K46 PolarHBondContact O-NZ 3.22Å; I28-K46 PolarHBondContact O-NZ 3.5Å; K46-L57 PolarHBondContact N-O 3.28Å; K46-L57 PolarHBondContact O-N 3.49Å |
| 47 | I | 94.5 | Very high | 87 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.1 | 166.7 | -59.5 | 173.8 | 0 | 0 | 0 | 107.5 | E54 R56 | I47-E54 HydrophobicContact CG2-CG 3.55Å; I47-R56 HydrophobicContact CG1-CB 4.32Å; I47-R56 HydrophobicContact CG1-CG 4.33Å |
| 48 | C | 94.1 | Very high | 88.7 | Confident | 22 Ų | 22 | 64 Ų | 64 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 166.9 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | T55 | C48-T55 PolarHBondContact N-O 3.1Å; C48-T55 PolarHBondContact O-N 3.27Å; C48-T55 VanDerWaalsContact O-O 3.12Å |
| 49 | T | 94.9 | Very high | 90.4 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.2 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | K53 | T49-K53 CarbonylContact C-O 3.36Å; T49-K53 WeakPolarHBondContact CA-O 3.43Å |
| 50 | V | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.4 | 175 | -165.5 | 0 | 0 | 0 | 0 | 109.1 | G52 K53 L162 V165 R166 R169 | V50-G52 VanDerWaalsContact C-N 3.28Å; V50-G52 PolarHBondContact O-N 2.9Å; V50-K53 PolarHBondContact N-O 2.76Å; V50-K53 PolarHBondContact O-N 3.49Å; V50-L162 HydrophobicContact CB-CD2 4.2Å; V50-L162 HydrophobicContact CG1-CB 4.35Å; V50-L162 HydrophobicContact CG1-CD2 4.08Å; V50-L162 HydrophobicContact CG2-CD2 3.49Å; V50-L162 VanDerWaalsContact CG2-CD2 3.49Å; V50-V165 HydrophobicContact CB-CG1 4.13Å; V50-V165 HydrophobicContact CG1-CB 4.13Å; V50-V165 HydrophobicContact CG1-CG1 3.88Å; V50-V165 HydrophobicContact CG2-CB 4.39Å; V50-V165 HydrophobicContact CG2-CG1 4.07Å; V50-V165 HydrophobicContact CG2-CG2 4.41Å; V50-R166 HydrophobicContact CG1-CG 4.44Å; V50-R169 PolarHBondContact O-NH1 2.79Å; V50-R169 PolarHBondContact O-NH2 3.09Å |
| 51 | D | 95.2 | Very high | 93.1 | Very high | 105 Ų | 105 | 54 Ų | 54 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 43.2 | -178.2 | -49.5 | -35.2 | 0 | 0 | 0 | 113.2 | K53 R166 R169 | D51-K53 VanDerWaalsContact C-N 3.3Å; D51-K53 PolarHBondContact O-N 3.04Å; D51-R166 IonicContact OD1-CZ 3.5Å; D51-R166 IonicContact OD1-NE 3.9Å; D51-R166 PolarHBondContact OD1-NE 2.67Å; D51-R166 VanDerWaalsContact OD1-NE 3.1Å; D51-R166 IonicContact OD1-NH2 3.21Å; D51-R166 PolarHBondContact OD1-NH2 2.85Å; D51-R166 WeakPolarHBondContact OD2-CD 3.29Å; D51-R166 WeakPolarHBondContact OD2-CG 3.49Å; D51-R166 IonicContact OD2-NE 3.92Å; D51-R166 PolarHBondContact OD2-NE 3.18Å; D51-R166 VanDerWaalsContact OD2-NE 3.16Å; D51-R169 IonicContact OD2-NH1 3.01Å |
| 52 | G | 93.3 | Very high | 94.1 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 77% | 0.773 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -0.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V50 | V50-G52 VanDerWaalsContact C-N 3.28Å; V50-G52 PolarHBondContact O-N 2.9Å |
| 53 | K | 93.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 48 Ų | 48 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.2 | 176.4 | -171.3 | 175 | 179.1 | -168.3 | 0 | 110.5 | E6 T49 V50 D51 T55 | E6-K53 VanDerWaalsContact CD-NZ 3.26Å; E6-K53 WeakPolarHBondContact OE1-CE 3.32Å; E6-K53 IonicContact OE1-NZ 3.83Å; E6-K53 PolarHBondContact OE1-NZ 3.43Å; E6-K53 IonicContact OE2-NZ 2.68Å; T49-K53 CarbonylContact C-O 3.36Å; T49-K53 WeakPolarHBondContact CA-O 3.43Å; V50-K53 PolarHBondContact N-O 2.76Å; V50-K53 PolarHBondContact O-N 3.49Å; D51-K53 VanDerWaalsContact C-N 3.3Å; D51-K53 PolarHBondContact O-N 3.04Å; K53-T55 PolarHBondContact O-N 3.4Å; K53-T55 PolarHBondContact O-OG1 3.42Å |
| 54 | E | 95.4 | Very high | 92.5 | Very high | 127 Ų | 127 | 44.4 Ų | 44.4 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.8 | 170.9 | -173.2 | 175.1 | 83.8 | 0 | 0 | 109.5 | I47 | I47-E54 HydrophobicContact CG2-CG 3.55Å |
| 55 | T | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.2 | -172.3 | -51 | 0 | 0 | 0 | 0 | 109.4 | E6 F8 C48 K53 L57 V165 R169 | E6-T55 HydrophobicContact CG-CG2 4.16Å; E6-T55 CarbonylContact O-C 3.53Å; E6-T55 WeakPolarHBondContact O-CA 3.45Å; E6-T55 WeakPolarHBondContact OE2-CB 3.48Å; E6-T55 WeakPolarHBondContact OE2-CG2 3.39Å; E6-T55 PolarHBondContact OE2-OG1 3Å; F8-T55 HydrophobicContact CD2-CG2 3.48Å; F8-T55 VanDerWaalsContact CD2-CG2 3.48Å; F8-T55 HydrophobicContact CE2-CG2 3.7Å; C48-T55 PolarHBondContact N-O 3.1Å; C48-T55 PolarHBondContact O-N 3.27Å; C48-T55 VanDerWaalsContact O-O 3.12Å; K53-T55 PolarHBondContact O-N 3.4Å; K53-T55 PolarHBondContact O-OG1 3.42Å; T55-L57 HydrophobicContact CG2-CD2 3.7Å; T55-V165 HydrophobicContact CG2-CG1 4.37Å; T55-R169 PolarHBondContact OG1-NH2 3.1Å; T55-R169 VanDerWaalsContact OG1-NH2 3.13Å |
| 56 | R | 96.9 | Very high | 89.4 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.9 | 171 | -179.7 | 177.5 | 173.2 | 154.2 | 4.4 | 110.1 | E6 R7 F8 T45 I47 D58 | E6-R56 PolarHBondContact O-N 2.99Å; R7-R56 CarbonylContact C-O 3.54Å; R7-R56 VanDerWaalsContact CA-O 3.22Å; R7-R56 WeakPolarHBondContact CA-O 3.37Å; R7-R56 HydrophobicContact CB-CB 4.35Å; R7-R56 HydrophobicContact CG-CB 4.43Å; R7-R56 HydrophobicContact CG-CG 4.35Å; F8-R56 PolarHBondContact N-O 3.4Å; T45-R56 HydrophobicContact CG2-CG 3.89Å; I47-R56 HydrophobicContact CG1-CB 4.32Å; I47-R56 HydrophobicContact CG1-CG 4.33Å; R56-D58 IonicContact NE-OD1 3.96Å; R56-D58 PolarHBondContact NE-OD1 2.98Å; R56-D58 IonicContact NH2-OD1 3.54Å |
| 57 | L | 97.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.9 | 176.1 | -52.2 | -177.9 | 0 | 0 | 0 | 109 | F8 L10 F27 T45 K46 T55 I59 V165 | F8-L57 HydrophobicContact CB-CD2 4.27Å; F8-L57 HydrophobicContact CD2-CD2 4.32Å; L10-L57 HydrophobicContact CD1-CD1 4.14Å; L10-L57 HydrophobicContact CD1-CD2 4.32Å; F27-L57 HydrophobicContact CE1-CD1 3.9Å; F27-L57 HydrophobicContact CZ-CD1 3.95Å; T45-L57 CarbonylContact C-O 3.57Å; T45-L57 VanDerWaalsContact CA-O 3.28Å; T45-L57 WeakPolarHBondContact CA-O 3.31Å; K46-L57 PolarHBondContact N-O 3.28Å; K46-L57 PolarHBondContact O-N 3.49Å; T55-L57 HydrophobicContact CG2-CD2 3.7Å; L57-I59 HydrophobicContact CB-CD1 4.34Å; L57-I59 HydrophobicContact CB-CG1 4.13Å; L57-V165 HydrophobicContact CD1-CG2 4.24Å; L57-V165 HydrophobicContact CD2-CG2 3.43Å; L57-V165 VanDerWaalsContact CD2-CG2 3.43Å; L57-V165 HydrophobicContact CG-CG2 4.49Å |
| 58 | D | 97.2 | Very high | 86.2 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 110.8 | 166.7 | -73.5 | -5.5 | 0 | 0 | 0 | 107.6 | R7 F8 K9 L10 Y44 T45 R56 | R7-D58 IonicContact CZ-OD2 2.85Å; R7-D58 IonicContact NE-OD2 3.51Å; R7-D58 PolarHBondContact NE-OD2 3.21Å; R7-D58 IonicContact NH2-OD2 3.54Å; R7-D58 PolarHBondContact NH2-OD2 2.9Å; F8-D58 PolarHBondContact O-N 2.81Å; K9-D58 CarbonylContact C-O 3.58Å; K9-D58 VanDerWaalsContact CA-O 3.31Å; K9-D58 WeakPolarHBondContact CA-O 3.39Å; L10-D58 PolarHBondContact N-O 3.46Å; Y44-D58 CarbonylContact O-C 3.47Å; Y44-D58 WeakPolarHBondContact O-CA 3.48Å; T45-D58 WeakPolarHBondContact CG2-OD1 3.21Å; T45-D58 PolarHBondContact OG1-OD1 2.96Å; R56-D58 IonicContact NE-OD1 3.96Å; R56-D58 PolarHBondContact NE-OD1 2.98Å; R56-D58 IonicContact NH2-OD1 3.54Å |
| 59 | I | 97.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.4 | -169.7 | -57.5 | 166.2 | 0 | 0 | 0 | 108.3 | L10 V12 T24 F27 S43 Y44 L57 F161 | L10-I59 HydrophobicContact CB-CG1 4.35Å; L10-I59 WeakPolarHBondContact O-CA 3.26Å; V12-I59 HydrophobicContact CG2-CG2 3.93Å; T24-I59 HydrophobicContact CG2-CG2 3.81Å; F27-I59 HydrophobicContact CD1-CD1 3.71Å; F27-I59 HydrophobicContact CE1-CD1 3.74Å; S43-I59 WeakPolarHBondContact CA-O 3.42Å; Y44-I59 PolarHBondContact N-O 3.17Å; Y44-I59 PolarHBondContact O-N 3.35Å; L57-I59 HydrophobicContact CB-CD1 4.34Å; L57-I59 HydrophobicContact CB-CG1 4.13Å; I59-F161 HydrophobicContact CD1-CD1 4.05Å; I59-F161 HydrophobicContact CD1-CE1 4.08Å; I59-F161 HydrophobicContact CG2-CE1 4.04Å |
| 60 | L | 95.3 | Very high | 83.6 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114 | 170.5 | -168.2 | 68.3 | 0 | 0 | 0 | 109.7 | L10 V11 V12 E41 T62 Y75 | L10-L60 PolarHBondContact O-N 3.03Å; V11-L60 HydrophobicContact CG1-CB 4.37Å; V11-L60 HydrophobicContact CG1-CD2 4.31Å; V11-L60 HydrophobicContact CG2-CB 4.3Å; V12-L60 PolarHBondContact N-O 3.16Å; E41-L60 HydrophobicContact CG-CD1 3.49Å; E41-L60 VanDerWaalsContact CG-CD1 3.49Å; E41-L60 HydrophobicContact CG-CD2 4.48Å; E41-L60 HydrophobicContact CG-CG 4.1Å; L60-T62 HydrophobicContact CD2-CG2 4.42Å; L60-T62 HydrophobicContact CG-CG2 4.43Å; L60-Y75 HydrophobicContact CD2-CD1 4.34Å; L60-Y75 HydrophobicContact CD2-CG 4.17Å |
| 61 | D | 92.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.5 | 169.1 | -174.6 | 43.1 | 0 | 0 | 0 | 109.2 | K20 S21 T24 E41 D42 Y44 | K20-D61 WeakPolarHBondContact CB-OD1 3.36Å; S21-D61 WeakPolarHBondContact CA-OD2 3.47Å; S21-D61 WeakPolarHBondContact CB-OD2 3.34Å; S21-D61 PolarHBondContact N-OD1 3.36Å; S21-D61 PolarHBondContact OG-OD2 3.21Å; T24-D61 HydrophobicContact CG2-CB 4.34Å; E41-D61 WeakPolarHBondContact CA-O 3.47Å; D42-D61 HydrophobicContact CB-CB 4.5Å; D42-D61 PolarHBondContact N-O 2.96Å; D42-D61 PolarHBondContact O-N 2.99Å; Y44-D61 HydrophobicContact CE2-CB 4.06Å |
| 62 | T | 89.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 157.4 | -176 | 79.1 | 0 | 0 | 0 | 0 | 111.2 | V11 V12 V13 K20 L60 E67 Y75 | V11-T62 HydrophobicContact CG1-CG2 3.76Å; V12-T62 WeakPolarHBondContact O-CG2 3.33Å; V12-T62 PolarHBondContact O-N 3.02Å; V12-T62 PolarHBondContact O-OG1 3.23Å; V12-T62 VanDerWaalsContact O-OG1 3.12Å; V13-T62 HydrophobicContact CG1-CG2 4.34Å; K20-T62 WeakPolarHBondContact CE-O 3.43Å; L60-T62 HydrophobicContact CD2-CG2 4.42Å; L60-T62 HydrophobicContact CG-CG2 4.43Å; T62-E67 WeakPolarHBondContact CB-OE1 3.44Å; T62-Y75 HydrophobicContact CG2-CD1 4.01Å; T62-Y75 HydrophobicContact CG2-CD2 4.46Å; T62-Y75 HydrophobicContact CG2-CE1 3.83Å; T62-Y75 HydrophobicContact CG2-CE2 4.37Å; T62-Y75 HydrophobicContact CG2-CG 4.31Å |
| 63 | A | 80.1 | Confident | 81.6 | Confident | 12 Ų | 12 | 60 Ų | 60 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61 | 149.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T39 I40 Q65 E67 | T39-A63 WeakPolarHBondContact O-CA 3.3Å; T39-A63 WeakPolarHBondContact O-CB 3.31Å; I40-A63 WeakPolarHBondContact O-CB 3.47Å; I40-A63 PolarHBondContact O-N 3.36Å; A63-Q65 VanDerWaalsContact C-N 3.34Å; A63-E67 WeakPolarHBondContact CA-OE1 3.44Å; A63-E67 HydrophobicContact CB-CG 3.91Å; A63-E67 VanDerWaalsContact CB-OE1 3.26Å; A63-E67 WeakPolarHBondContact CB-OE1 3.28Å; A63-E67 PolarHBondContact N-OE1 2.95Å |
| 64 | G | 62.7 | Low | 81.4 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -90.5 | 1.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G14 G15 G16 K20 | G14-G64 WeakPolarHBondContact O-CA 3.42Å; G15-G64 CarbonylContact C-O 3.59Å; G16-G64 PolarHBondContact N-O 3.01Å; K20-G64 VanDerWaalsContact NZ-N 3.14Å |
| 65 | Q | 62.1 | Low | 81.1 | Confident | 144 Ų | 144 | 55.8 Ų | 55.8 | 67% | 0.673 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -87.6 | 167.3 | 174.6 | -69.9 | -171.2 | -10.3 | 0 | 0 | 110.4 | A63 E67 R72 | A63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 2.85Å; Q65-R72 PolarHBondContact O-NH2 2.7Å |
| 66 | E | 60.1 | Low | 81 | Confident | 180 Ų | 180 | 55.8 Ų | 55.8 | 84% | 0.841 | 29% | 0.289 | S | S | * | . | trans | -65 | 78.2 | 173.1 | -64.2 | -172.6 | 159.9 | 0 | 0 | 110.5 | ||||
| 67 | E | 57.8 | Low | 80.9 | Confident | 24 Ų | 24 | 59 Ų | 59 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | trans | -53 | 142.9 | 165.1 | -63.9 | 156.8 | 160 | 0 | 0 | 108.8 | T62 A63 Q65 G69 Y75 | T62-E67 WeakPolarHBondContact CB-OE1 3.44Å; A63-E67 WeakPolarHBondContact CA-OE1 3.44Å; A63-E67 HydrophobicContact CB-CG 3.91Å; A63-E67 VanDerWaalsContact CB-OE1 3.26Å; A63-E67 WeakPolarHBondContact CB-OE1 3.28Å; A63-E67 PolarHBondContact N-OE1 2.95Å; Q65-E67 PolarHBondContact O-N 2.85Å; E67-G69 PolarHBondContact O-N 2.96Å; E67-Y75 WeakPolarHBondContact OE2-CE1 3.47Å; E67-Y75 PolarHBondContact OE2-OH 3.07Å | ||
| 68 | F | 62 | Low | 80.7 | Confident | 177 Ų | 177 | 61.7 Ų | 61.7 | 78% | 0.776 | 32% | 0.32 | S | S | * | . | trans | -48.1 | 130.4 | 174.6 | -70.2 | -86.7 | 0 | 0 | 0 | 110.1 | A70 M71 R72 | F68-A70 PolarHBondContact O-N 3.24Å; F68-M71 PolarHBondContact O-N 2.78Å; F68-R72 PolarHBondContact O-N 3.34Å | ||
| 69 | G | 66.1 | Low | 80.8 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -51 | -30 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E67 R72 E73 | E67-G69 PolarHBondContact O-N 2.96Å; G69-R72 PolarHBondContact O-N 2.83Å; G69-E73 WeakPolarHBondContact O-CG 3.47Å; G69-E73 PolarHBondContact O-N 3.35Å |
| 70 | A | 68.1 | Low | 80.8 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 65% | 0.653 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | F68 R72 Q74 | F68-A70 PolarHBondContact O-N 3.24Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-Q74 PolarHBondContact O-N 3.35Å |
| 71 | M | 73.6 | Confident | 80.9 | Confident | 78 Ų | 78 | 62 Ų | 62 | 38% | 0.384 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.8 | -40.9 | 176.4 | -68.4 | -177.5 | 67.6 | 0 | 0 | 110.5 | F68 E73 Q74 Y75 | F68-M71 PolarHBondContact O-N 2.78Å; M71-E73 PolarHBondContact O-N 3.46Å; M71-Q74 WeakPolarHBondContact O-CB 3.32Å; M71-Q74 PolarHBondContact O-N 2.8Å; M71-Q74 VanDerWaalsContact O-N 3.12Å; M71-Y75 VanDerWaalsContact O-CD1 3.31Å; M71-Y75 WeakPolarHBondContact O-CD1 3.48Å; M71-Y75 PolarHBondContact O-N 3Å |
| 72 | R | 81.8 | Confident | 81.3 | Confident | 40 Ų | 40 | 62 Ų | 62 | 15% | 0.151 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.5 | 179.9 | 166.8 | -59.1 | 169.1 | 6 | 113.1 | Q65 F68 G69 A70 Q74 Y75 M76 | Q65-R72 PolarHBondContact O-NH2 2.7Å; F68-R72 PolarHBondContact O-N 3.34Å; G69-R72 PolarHBondContact O-N 2.83Å; A70-R72 VanDerWaalsContact C-N 3.35Å; R72-Q74 VanDerWaalsContact C-N 3.26Å; R72-Q74 PolarHBondContact O-N 2.89Å; R72-Y75 VanDerWaalsContact CA-CE1 3.44Å; R72-Y75 VanDerWaalsContact CA-CZ 3.48Å; R72-Y75 HydrophobicContact CB-CE1 4.23Å; R72-Y75 HydrophobicContact CG-CE2 3.99Å; R72-Y75 VanDerWaalsContact CG-OH 3.31Å; R72-Y75 WeakPolarHBondContact CG-OH 3.25Å; R72-Y75 PolarHBondContact NE-OH 3.24Å; R72-Y75 WeakPolarHBondContact O-CD2 3.07Å; R72-Y75 WeakPolarHBondContact O-CE2 3.22Å; R72-M76 HydrophobicContact CG-CE 3.52Å; R72-M76 HydrophobicContact CG-SD 3.93Å; R72-M76 WeakPolarHBondContact O-CB 3.36Å; R72-M76 VanDerWaalsContact O-CG 3.28Å; R72-M76 WeakPolarHBondContact O-CG 3.47Å; R72-M76 PolarHBondContact O-N 3.34Å; R72-M76 VanDerWaalsContact O-N 3.17Å |
| 73 | E | 87.4 | Confident | 81.7 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -32.8 | 177 | -74.5 | -174.4 | -162.2 | 0 | 0 | 112.7 | G69 M71 R77 V107 | G69-E73 WeakPolarHBondContact O-CG 3.47Å; G69-E73 PolarHBondContact O-N 3.35Å; M71-E73 PolarHBondContact O-N 3.46Å; E73-R77 VanDerWaalsContact O-CB 3.22Å; E73-R77 WeakPolarHBondContact O-CB 3.38Å; E73-R77 PolarHBondContact O-N 3.32Å; E73-R77 IonicContact OE2-NH2 2.96Å; E73-V107 HydrophobicContact CG-CG2 4.18Å |
| 74 | Q | 89 | Confident | 82.6 | Confident | 136 Ų | 136 | 61.3 Ų | 61.3 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66 | -49.2 | -178.2 | -176.5 | 178.4 | -53.9 | 0 | 0 | 112.3 | A70 M71 R72 R77 S78 | A70-Q74 PolarHBondContact O-N 3.35Å; M71-Q74 WeakPolarHBondContact O-CB 3.32Å; M71-Q74 PolarHBondContact O-N 2.8Å; M71-Q74 VanDerWaalsContact O-N 3.12Å; R72-Q74 VanDerWaalsContact C-N 3.26Å; R72-Q74 PolarHBondContact O-N 2.89Å; Q74-R77 PolarHBondContact O-N 3.41Å; Q74-S78 WeakPolarHBondContact O-CB 3.43Å; Q74-S78 PolarHBondContact O-N 3.41Å; Q74-S78 PolarHBondContact O-OG 2.78Å |
| 75 | Y | 90.2 | Very high | 84.3 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.1 | -34.5 | 177.1 | 59.3 | -116.9 | 0 | 0 | 0 | 112.4 | V11 V13 L60 T62 E67 M71 R72 R77 S78 G79 | V11-Y75 HydrophobicContact CG1-CD2 3.85Å; V11-Y75 HydrophobicContact CG1-CG 4.19Å; V13-Y75 HydrophobicContact CG1-CD2 4.45Å; V13-Y75 HydrophobicContact CG1-CE2 3.88Å; L60-Y75 HydrophobicContact CD2-CD1 4.34Å; L60-Y75 HydrophobicContact CD2-CG 4.17Å; T62-Y75 HydrophobicContact CG2-CD1 4.01Å; T62-Y75 HydrophobicContact CG2-CD2 4.46Å; T62-Y75 HydrophobicContact CG2-CE1 3.83Å; T62-Y75 HydrophobicContact CG2-CE2 4.37Å; T62-Y75 HydrophobicContact CG2-CG 4.31Å; E67-Y75 WeakPolarHBondContact OE2-CE1 3.47Å; E67-Y75 PolarHBondContact OE2-OH 3.07Å; M71-Y75 VanDerWaalsContact O-CD1 3.31Å; M71-Y75 WeakPolarHBondContact O-CD1 3.48Å; M71-Y75 PolarHBondContact O-N 3Å; R72-Y75 VanDerWaalsContact CA-CE1 3.44Å; R72-Y75 VanDerWaalsContact CA-CZ 3.48Å; R72-Y75 HydrophobicContact CB-CE1 4.23Å; R72-Y75 HydrophobicContact CG-CE2 3.99Å; R72-Y75 VanDerWaalsContact CG-OH 3.31Å; R72-Y75 WeakPolarHBondContact CG-OH 3.25Å; R72-Y75 PolarHBondContact NE-OH 3.24Å; R72-Y75 WeakPolarHBondContact O-CD2 3.07Å; R72-Y75 WeakPolarHBondContact O-CE2 3.22Å; Y75-R77 VanDerWaalsContact C-N 3.3Å; Y75-R77 PolarHBondContact O-N 2.9Å; Y75-S78 PolarHBondContact O-N 3.49Å; Y75-G79 PolarHBondContact O-N 3.14Å |
| 76 | M | 94.1 | Very high | 86 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 174.9 | -72.8 | -179.3 | 178.9 | 0 | 0 | 111 | R72 F82 F100 Q103 I104 V107 K108 | R72-M76 HydrophobicContact CG-CE 3.52Å; R72-M76 HydrophobicContact CG-SD 3.93Å; R72-M76 WeakPolarHBondContact O-CB 3.36Å; R72-M76 VanDerWaalsContact O-CG 3.28Å; R72-M76 WeakPolarHBondContact O-CG 3.47Å; R72-M76 PolarHBondContact O-N 3.34Å; R72-M76 VanDerWaalsContact O-N 3.17Å; M76-F82 HydrophobicContact CG-CE1 4.45Å; M76-F82 WeakPolarHBondContact O-CZ 3.35Å; M76-F100 HydrophobicContact CE-CD1 4.07Å; M76-Q103 HydrophobicContact CE-CB 3.78Å; M76-Q103 HydrophobicContact SD-CB 3.85Å; M76-I104 HydrophobicContact CE-CG1 4.05Å; M76-I104 HydrophobicContact CG-CG1 4.04Å; M76-I104 HydrophobicContact SD-CG1 4.16Å; M76-V107 HydrophobicContact CB-CB 3.96Å; M76-V107 HydrophobicContact CB-CG1 3.73Å; M76-V107 HydrophobicContact CB-CG2 4.18Å; M76-V107 HydrophobicContact SD-CG2 4.09Å; M76-K108 WeakPolarHBondContact O-CE 3.32Å; M76-K108 PolarHBondContact O-NZ 2.91Å; M76-K108 VanDerWaalsContact O-NZ 3.14Å |
| 77 | R | 95.2 | Very high | 87.8 | Confident | 147 Ų | 147 | 45.1 Ų | 45.1 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.1 | -43.3 | 177.5 | -166.4 | 179.8 | -51.5 | -73.1 | -3.6 | 111.7 | E73 Q74 Y75 V107 K108 | E73-R77 VanDerWaalsContact O-CB 3.22Å; E73-R77 WeakPolarHBondContact O-CB 3.38Å; E73-R77 PolarHBondContact O-N 3.32Å; E73-R77 IonicContact OE2-NH2 2.96Å; Q74-R77 PolarHBondContact O-N 3.41Å; Y75-R77 VanDerWaalsContact C-N 3.3Å; Y75-R77 PolarHBondContact O-N 2.9Å; R77-V107 HydrophobicContact CB-CG1 4Å; R77-K108 PolarHBondContact O-NZ 3.33Å |
| 78 | S | 94.3 | Very high | 89.8 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -87.7 | -21.6 | -172 | 58.2 | 0 | 0 | 0 | 0 | 115.5 | Q74 Y75 | Q74-S78 WeakPolarHBondContact O-CB 3.43Å; Q74-S78 PolarHBondContact O-N 3.41Å; Q74-S78 PolarHBondContact O-OG 2.78Å; Y75-S78 PolarHBondContact O-N 3.49Å |
| 79 | G | 97.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -69.8 | 136.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y75 K108 | Y75-G79 PolarHBondContact O-N 3.14Å; G79-K108 VanDerWaalsContact O-CE 3.3Å; G79-K108 WeakPolarHBondContact O-CE 3.41Å; G79-K108 PolarHBondContact O-NZ 2.78Å | ||
| 80 | E | 98.3 | Very high | 93 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -92.2 | -24.6 | -180 | -66.8 | 172.8 | -101.3 | 0 | 0 | 112.2 | K9 F113 I168 | K9-E80 HydrophobicContact CB-CG 4.3Å; K9-E80 WeakPolarHBondContact CG-OE1 3.39Å; K9-E80 PolarHBondContact N-OE1 2.8Å; K9-E80 PolarHBondContact O-N 3.02Å; E80-F113 WeakPolarHBondContact O-CE1 3.35Å; E80-I168 HydrophobicContact CB-CD1 4.08Å; E80-I168 WeakPolarHBondContact O-CG1 3.31Å |
| 81 | G | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 157.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K9 L10 V11 P114 | K9-G81 PolarHBondContact O-N 3.45Å; L10-G81 WeakPolarHBondContact CA-O 3.26Å; V11-G81 PolarHBondContact N-O 3.09Å; G81-P114 VanDerWaalsContact CA-O 3.28Å; G81-P114 WeakPolarHBondContact CA-O 3.33Å |
| 82 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.2 | -171 | -58.8 | -97.5 | 0 | 0 | 0 | 112.8 | V11 V13 M76 L84 I104 F113 P114 M115 V116 | V11-F82 HydrophobicContact CB-CD1 3.69Å; V11-F82 HydrophobicContact CB-CE1 3.76Å; V11-F82 HydrophobicContact CG1-CD1 4.23Å; V11-F82 HydrophobicContact CG1-CE1 4.22Å; V11-F82 HydrophobicContact CG2-CD1 4.37Å; V11-F82 HydrophobicContact CG2-CE1 3.97Å; V11-F82 CarbonylContact O-C 3.56Å; V11-F82 VanDerWaalsContact O-CA 3.31Å; V11-F82 WeakPolarHBondContact O-CA 3.39Å; V13-F82 HydrophobicContact CG1-CD1 4.48Å; M76-F82 HydrophobicContact CG-CE1 4.45Å; M76-F82 WeakPolarHBondContact O-CZ 3.35Å; F82-L84 HydrophobicContact CB-CD1 4.25Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.73Å; F82-I104 HydrophobicContact CD1-CG1 4.13Å; F82-I104 HydrophobicContact CD2-CD1 4.28Å; F82-I104 HydrophobicContact CD2-CG2 3.8Å; F82-I104 HydrophobicContact CE1-CD1 4.32Å; F82-I104 HydrophobicContact CE1-CG1 4.21Å; F82-I104 HydrophobicContact CE2-CG2 3.69Å; F82-I104 HydrophobicContact CG-CD1 3.74Å; F82-I104 HydrophobicContact CG-CG1 4.36Å; F82-I104 HydrophobicContact CG-CG2 4.36Å; F82-I104 HydrophobicContact CZ-CG1 4.49Å; F82-I104 HydrophobicContact CZ-CG2 4.16Å; F82-F113 AromaticContact CD2-CD1 3.87Å; F82-F113 HydrophobicContact CD2-CD1 3.87Å; F82-F113 HydrophobicContact CD2-CE1 4.08Å; F82-F113 AromaticContact CE2-CD1 3.66Å; F82-F113 HydrophobicContact CE2-CD1 3.66Å; F82-F113 AromaticContact CE2-CE1 3.58Å; F82-F113 HydrophobicContact CE2-CE1 3.58Å; F82-P114 PolarHBondContact N-O 2.67Å; F82-M115 HydrophobicContact CB-CG 4.14Å; F82-M115 HydrophobicContact CD2-CG 4.39Å; F82-M115 CarbonylContact O-C 3.5Å; F82-M115 WeakPolarHBondContact O-CA 3.38Å; F82-V116 PolarHBondContact O-N 2.83Å |
| 83 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.8 | 162.6 | -69 | 87.2 | 0 | 0 | 0 | 108 | L10 V11 V12 V13 V85 V118 A160 F161 V164 | L10-L83 HydrophobicContact CB-CD1 4.45Å; V11-L83 PolarHBondContact O-N 3.13Å; V12-L83 HydrophobicContact CG1-CB 4.19Å; V12-L83 HydrophobicContact CG2-CB 4.49Å; V12-L83 HydrophobicContact CG2-CD1 4.27Å; V13-L83 WeakPolarHBondContact CG2-O 3.31Å; V13-L83 PolarHBondContact N-O 3.35Å; L83-V85 HydrophobicContact CB-CG2 4.17Å; L83-V118 HydrophobicContact CD2-CG2 4.38Å; L83-A160 HydrophobicContact CD2-CB 4.19Å; L83-F161 HydrophobicContact CD1-CD1 3.97Å; L83-F161 HydrophobicContact CD1-CE1 4.07Å; L83-F161 HydrophobicContact CD2-CD1 3.96Å; L83-F161 HydrophobicContact CD2-CD2 4.4Å; L83-F161 HydrophobicContact CD2-CE1 3.86Å; L83-F161 HydrophobicContact CD2-CE2 4.29Å; L83-F161 HydrophobicContact CD2-CG 4.23Å; L83-F161 HydrophobicContact CD2-CZ 4.02Å; L83-V164 HydrophobicContact CD1-CB 4.42Å; L83-V164 HydrophobicContact CD1-CG2 3.67Å; L83-V164 HydrophobicContact CG-CG2 3.7Å |
| 84 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 101.2 | 174.1 | -67.7 | 91.9 | 0 | 0 | 0 | 108.4 | V13 F82 I97 F100 H101 M115 V116 L117 V118 | V13-L84 HydrophobicContact CG2-CG 4.21Å; F82-L84 HydrophobicContact CB-CD1 4.25Å; L84-I97 HydrophobicContact CB-CD1 4.21Å; L84-I97 HydrophobicContact CB-CG2 4.36Å; L84-I97 HydrophobicContact CD2-CG2 3.94Å; L84-F100 HydrophobicContact CD2-CB 4.36Å; L84-H101 HydrophobicContact CD2-CB 3.93Å; L84-M115 HydrophobicContact CD1-CB 3.62Å; L84-M115 HydrophobicContact CD1-CG 3.81Å; L84-M115 HydrophobicContact CD1-SD 3.77Å; L84-M115 HydrophobicContact CD2-SD 4.43Å; L84-V116 PolarHBondContact N-O 3.14Å; L84-L117 HydrophobicContact CB-CD1 4.12Å; L84-V118 PolarHBondContact O-N 3.49Å |
| 85 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.3 | -171.4 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | V12 V13 G14 V18 K20 L23 L83 V118 N120 | V12-V85 HydrophobicContact CG1-CG2 3.59Å; V13-V85 PolarHBondContact O-N 3.28Å; G14-V85 VanDerWaalsContact CA-O 3.31Å; G14-V85 WeakPolarHBondContact CA-O 3.32Å; V18-V85 HydrophobicContact CB-CG1 4.37Å; V18-V85 HydrophobicContact CG2-CB 4.12Å; V18-V85 HydrophobicContact CG2-CG1 3.85Å; K20-V85 HydrophobicContact CG-CB 4.15Å; K20-V85 HydrophobicContact CG-CG2 4.41Å; L23-V85 HydrophobicContact CD1-CG1 3.79Å; L23-V85 HydrophobicContact CD1-CG2 4.07Å; L83-V85 HydrophobicContact CB-CG2 4.17Å; V85-V118 WeakPolarHBondContact CA-O 3.42Å; V85-V118 HydrophobicContact CG2-CB 4.32Å; V85-N120 HydrophobicContact CG1-CB 3.92Å |
| 86 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 165.5 | 166.4 | 71.3 | -80.5 | 0 | 0 | 0 | 109.7 | L88 Y94 I97 L117 V118 G119 N120 I130 A135 Y146 | F86-L88 HydrophobicContact CE2-CD2 3.85Å; F86-L88 HydrophobicContact CZ-CD2 4.06Å; F86-Y94 AromaticContact CD1-CD2 3.99Å; F86-Y94 HydrophobicContact CD1-CD2 3.99Å; F86-Y94 AromaticContact CD2-CD2 3.74Å; F86-Y94 HydrophobicContact CD2-CD2 3.74Å; F86-Y94 HydrophobicContact CD2-CG 4.21Å; F86-Y94 AromaticContact CE1-CD2 3.96Å; F86-Y94 HydrophobicContact CE1-CD2 3.96Å; F86-Y94 HydrophobicContact CE1-CE2 4.25Å; F86-Y94 AromaticContact CE2-CD2 3.7Å; F86-Y94 HydrophobicContact CE2-CD2 3.7Å; F86-Y94 HydrophobicContact CE2-CE2 4.43Å; F86-Y94 HydrophobicContact CE2-CG 4.33Å; F86-Y94 AromaticContact CG-CD2 3.88Å; F86-Y94 HydrophobicContact CG-CD2 3.88Å; F86-Y94 AromaticContact CZ-CD2 3.81Å; F86-Y94 HydrophobicContact CZ-CD2 3.81Å; F86-Y94 HydrophobicContact CZ-CE2 4.15Å; F86-I97 HydrophobicContact CB-CD1 3.99Å; F86-I97 HydrophobicContact CB-CG1 3.88Å; F86-I97 HydrophobicContact CD1-CG1 4.14Å; F86-I97 HydrophobicContact CG-CG1 4.31Å; F86-L117 HydrophobicContact CD1-CD1 3.84Å; F86-L117 HydrophobicContact CD1-CG 4.37Å; F86-L117 HydrophobicContact CE1-CD1 3.85Å; F86-L117 HydrophobicContact CE1-CD2 4.2Å; F86-L117 HydrophobicContact CE1-CG 3.9Å; F86-V118 WeakPolarHBondContact CD1-O 3.28Å; F86-V118 PolarHBondContact N-O 3.42Å; F86-G119 VanDerWaalsContact CE1-CA 3.49Å; F86-N120 WeakPolarHBondContact O-CB 3.47Å; F86-N120 PolarHBondContact O-N 3.06Å; F86-I130 HydrophobicContact CD2-CD1 4.34Å; F86-I130 HydrophobicContact CE2-CB 4.04Å; F86-I130 HydrophobicContact CE2-CD1 4.29Å; F86-I130 HydrophobicContact CE2-CG1 4.15Å; F86-I130 HydrophobicContact CE2-CG2 3.95Å; F86-I130 HydrophobicContact CZ-CG2 4.38Å; F86-A135 HydrophobicContact CE1-CB 4.43Å; F86-A135 HydrophobicContact CZ-CB 3.85Å; F86-Y146 HydrophobicContact CE1-CE2 4.1Å; F86-Y146 HydrophobicContact CZ-CE2 4.11Å |
| 87 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V18 N89 D90 S93 K121 I130 | V18-A87 HydrophobicContact CB-CB 4.32Å; V18-A87 HydrophobicContact CG1-CB 4.42Å; A87-N89 WeakPolarHBondContact CB-OD1 3.45Å; A87-N89 PolarHBondContact O-N 3.27Å; A87-D90 HydrophobicContact CB-CB 4.11Å; A87-D90 PolarHBondContact O-N 2.72Å; A87-S93 PolarHBondContact N-OG 3.23Å; A87-K121 HydrophobicContact CB-CD 3.9Å; A87-K121 HydrophobicContact CB-CG 4.3Å; A87-I130 WeakPolarHBondContact O-CD1 3.49Å |
| 88 | L | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.7 | -178 | -72.6 | 168.8 | 0 | 0 | 0 | 113.7 | F86 N120 A122 A129 I130 E148 | F86-L88 HydrophobicContact CE2-CD2 3.85Å; F86-L88 HydrophobicContact CZ-CD2 4.06Å; L88-N120 WeakPolarHBondContact CG-O 3.44Å; L88-N120 PolarHBondContact N-O 2.95Å; L88-A122 HydrophobicContact CD1-CB 3.78Å; L88-A129 PolarHBondContact O-N 2.87Å; L88-I130 VanDerWaalsContact O-CD1 3.26Å; L88-I130 WeakPolarHBondContact O-CD1 3.17Å; L88-I130 PolarHBondContact O-N 2.9Å; L88-I130 VanDerWaalsContact O-N 3.14Å; L88-E148 HydrophobicContact CD1-CB 4.29Å; L88-E148 HydrophobicContact CD1-CG 4.02Å; L88-E148 HydrophobicContact CD2-CG 4.37Å |
| 89 | N | 98 | Very high | 97.2 | Very high | 52 Ų | 52 | 31.5 Ų | 31.5 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 13.3 | 177.4 | 73 | -44.4 | 0 | 0 | 0 | 113.8 | A87 S127 | A87-N89 WeakPolarHBondContact CB-OD1 3.45Å; A87-N89 PolarHBondContact O-N 3.27Å; N89-S127 WeakPolarHBondContact CA-O 3.46Å; N89-S127 WeakPolarHBondContact CB-O 3.24Å |
| 90 | D | 97.6 | Very high | 97 | Very high | 65 Ų | 65 | 31.9 Ų | 31.9 | 35% | 0.348 | 17% | 0.168 | S | C | . | . | trans | -140.1 | 96.9 | -177.1 | -179.2 | -6.9 | 0 | 0 | 0 | 111.7 | A87 G92 S93 Y94 | A87-D90 HydrophobicContact CB-CB 4.11Å; A87-D90 PolarHBondContact O-N 2.72Å; D90-G92 PolarHBondContact O-N 2.9Å; D90-G92 WeakPolarHBondContact OD1-CA 3.45Å; D90-G92 PolarHBondContact OD1-N 3.24Å; D90-S93 PolarHBondContact O-N 2.91Å; D90-S93 PolarHBondContact O-OG 3.39Å; D90-S93 PolarHBondContact OD1-N 2.82Å; D90-S93 VanDerWaalsContact OD1-N 3.08Å; D90-Y94 PolarHBondContact O-N 2.91Å | ||
| 91 | T | 97 | Very high | 97 | Very high | 67 Ų | 67 | 30 Ų | 30 | 41% | 0.411 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.3 | -30.6 | 177.5 | -48.3 | 0 | 0 | 0 | 0 | 113 | Y94 N95 | T91-Y94 PolarHBondContact O-N 2.6Å; T91-N95 PolarHBondContact O-N 3.06Å; T91-N95 PolarHBondContact O-ND2 2.92Å |
| 92 | G | 96.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 37% | 0.371 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D90 Y94 N95 E96 | D90-G92 PolarHBondContact O-N 2.9Å; D90-G92 WeakPolarHBondContact OD1-CA 3.45Å; D90-G92 PolarHBondContact OD1-N 3.24Å; G92-Y94 VanDerWaalsContact C-N 3.28Å; G92-Y94 PolarHBondContact O-N 2.69Å; G92-N95 PolarHBondContact O-N 3.05Å; G92-E96 PolarHBondContact O-N 3.34Å |
| 93 | S | 96.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 176.7 | 78.1 | 0 | 0 | 0 | 0 | 113.5 | V18 A87 D90 E96 | V18-S93 VanDerWaalsContact CG1-CB 3.41Å; A87-S93 PolarHBondContact N-OG 3.23Å; D90-S93 PolarHBondContact O-N 2.91Å; D90-S93 PolarHBondContact O-OG 3.39Å; D90-S93 PolarHBondContact OD1-N 2.82Å; D90-S93 VanDerWaalsContact OD1-N 3.08Å; S93-E96 PolarHBondContact O-N 3.4Å |
| 94 | Y | 97.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | 175.7 | -178.5 | -113.6 | 0 | 0 | 0 | 111.8 | F86 D90 T91 G92 E96 I97 I130 E134 A135 F138 | F86-Y94 AromaticContact CD1-CD2 3.99Å; F86-Y94 HydrophobicContact CD1-CD2 3.99Å; F86-Y94 AromaticContact CD2-CD2 3.74Å; F86-Y94 HydrophobicContact CD2-CD2 3.74Å; F86-Y94 HydrophobicContact CD2-CG 4.21Å; F86-Y94 AromaticContact CE1-CD2 3.96Å; F86-Y94 HydrophobicContact CE1-CD2 3.96Å; F86-Y94 HydrophobicContact CE1-CE2 4.25Å; F86-Y94 AromaticContact CE2-CD2 3.7Å; F86-Y94 HydrophobicContact CE2-CD2 3.7Å; F86-Y94 HydrophobicContact CE2-CE2 4.43Å; F86-Y94 HydrophobicContact CE2-CG 4.33Å; F86-Y94 AromaticContact CG-CD2 3.88Å; F86-Y94 HydrophobicContact CG-CD2 3.88Å; F86-Y94 AromaticContact CZ-CD2 3.81Å; F86-Y94 HydrophobicContact CZ-CD2 3.81Å; F86-Y94 HydrophobicContact CZ-CE2 4.15Å; D90-Y94 PolarHBondContact O-N 2.91Å; T91-Y94 PolarHBondContact O-N 2.6Å; G92-Y94 VanDerWaalsContact C-N 3.28Å; G92-Y94 PolarHBondContact O-N 2.69Å; Y94-E96 PolarHBondContact O-N 2.82Å; Y94-I97 VanDerWaalsContact O-CB 3.24Å; Y94-I97 WeakPolarHBondContact O-CB 3.42Å; Y94-I97 WeakPolarHBondContact O-CG1 3.41Å; Y94-I97 PolarHBondContact O-N 3.08Å; Y94-I130 HydrophobicContact CD1-CG1 4.31Å; Y94-I130 HydrophobicContact CD1-CG2 4.37Å; Y94-I130 HydrophobicContact CD2-CG2 4.35Å; Y94-I130 HydrophobicContact CE1-CG2 4.49Å; Y94-I130 HydrophobicContact CE2-CG2 4.47Å; Y94-I130 HydrophobicContact CG-CG1 4.06Å; Y94-I130 HydrophobicContact CG-CG2 4.3Å; Y94-E134 HydrophobicContact CE1-CG 3.83Å; Y94-E134 WeakPolarHBondContact CE1-OE1 3.46Å; Y94-E134 PolarHBondContact OH-O 2.82Å; Y94-A135 HydrophobicContact CE2-CB 4.16Å; Y94-A135 WeakPolarHBondContact OH-CA 3.46Å; Y94-F138 WeakPolarHBondContact OH-CB 3.04Å |
| 95 | N | 95.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 39 Ų | 39 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -30.8 | 176.1 | -70.7 | -34.1 | 0 | 0 | 0 | 112.7 | T91 G92 I97 | T91-N95 PolarHBondContact O-N 3.06Å; T91-N95 PolarHBondContact O-ND2 2.92Å; G92-N95 PolarHBondContact O-N 3.05Å; N95-I97 VanDerWaalsContact C-N 3.29Å; N95-I97 PolarHBondContact O-N 2.93Å |
| 96 | E | 94.2 | Very high | 96.5 | Very high | 68 Ų | 68 | 49 Ų | 49 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.9 | -24.4 | 176.4 | -70.7 | 178.9 | -163.6 | 0 | 0 | 113.5 | G15 G92 S93 Y94 H98 K99 F100 | G15-E96 WeakPolarHBondContact CA-OE2 3.31Å; G92-E96 PolarHBondContact O-N 3.34Å; S93-E96 PolarHBondContact O-N 3.4Å; Y94-E96 PolarHBondContact O-N 2.82Å; E96-H98 PolarHBondContact O-N 2.96Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 2.85Å; E96-F100 HydrophobicContact CB-CD2 4.4Å; E96-F100 HydrophobicContact CB-CE2 4.28Å; E96-F100 WeakPolarHBondContact O-CD2 2.95Å; E96-F100 PolarHBondContact O-N 3.3Å; E96-F100 VanDerWaalsContact O-N 3.09Å |
| 97 | I | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.4 | -39.9 | 177.7 | -63.4 | -48.5 | 0 | 0 | 0 | 111.5 | L84 F86 Y94 N95 K99 F100 H101 L117 F138 | L84-I97 HydrophobicContact CB-CD1 4.21Å; L84-I97 HydrophobicContact CB-CG2 4.36Å; L84-I97 HydrophobicContact CD2-CG2 3.94Å; F86-I97 HydrophobicContact CB-CD1 3.99Å; F86-I97 HydrophobicContact CB-CG1 3.88Å; F86-I97 HydrophobicContact CD1-CG1 4.14Å; F86-I97 HydrophobicContact CG-CG1 4.31Å; Y94-I97 VanDerWaalsContact O-CB 3.24Å; Y94-I97 WeakPolarHBondContact O-CB 3.42Å; Y94-I97 WeakPolarHBondContact O-CG1 3.41Å; Y94-I97 PolarHBondContact O-N 3.08Å; N95-I97 VanDerWaalsContact C-N 3.29Å; N95-I97 PolarHBondContact O-N 2.93Å; I97-K99 VanDerWaalsContact C-N 3.26Å; I97-K99 PolarHBondContact O-N 3.25Å; I97-F100 PolarHBondContact O-N 3.38Å; I97-H101 WeakPolarHBondContact O-CB 3.09Å; I97-H101 PolarHBondContact O-N 3.46Å; I97-L117 HydrophobicContact CB-CD1 4.48Å; I97-L117 HydrophobicContact CG1-CD1 4.16Å; I97-L117 HydrophobicContact CG2-CD1 3.57Å; I97-F138 HydrophobicContact CG2-CD1 4.44Å; I97-F138 HydrophobicContact CG2-CE1 3.73Å; I97-F138 HydrophobicContact CG2-CZ 3.96Å |
| 98 | H | 95.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 177.1 | -66.6 | -95 | 0 | 0 | 0 | 112.2 | E96 T102 F138 | E96-H98 PolarHBondContact O-N 2.96Å; H98-T102 WeakPolarHBondContact O-CB 3.27Å; H98-T102 PolarHBondContact O-N 3.05Å; H98-T102 VanDerWaalsContact O-N 3.09Å; H98-T102 PolarHBondContact O-OG1 2.84Å; H98-F138 AromaticContact CE1-CD2 3.33Å; H98-F138 WeakPolarHBondContact CE1-CD2 3.12Å; H98-F138 AromaticContact CE1-CE2 3.53Å; H98-F138 AromaticContact CG-CE2 3.98Å; H98-F138 AromaticContact ND1-CD2 3.69Å; H98-F138 AromaticContact ND1-CE2 3.37Å; H98-F138 WeakPolarHBondContact ND1-CE2 3.2Å; H98-F138 AromaticContact NE2-CD2 3.95Å |
| 99 | K | 93.4 | Very high | 96.1 | Very high | 131 Ų | 131 | 59.2 Ų | 59.2 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.7 | -48.4 | 178.1 | -60 | 177.8 | -176.6 | 171.7 | 0 | 110.2 | E96 I97 T102 Q103 | E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 2.85Å; I97-K99 VanDerWaalsContact C-N 3.26Å; I97-K99 PolarHBondContact O-N 3.25Å; K99-T102 PolarHBondContact O-N 3.36Å; K99-Q103 WeakPolarHBondContact O-CB 3.46Å; K99-Q103 VanDerWaalsContact O-CG 3.24Å; K99-Q103 WeakPolarHBondContact O-CG 3.3Å; K99-Q103 PolarHBondContact O-N 3.2Å |
| 100 | F | 94.6 | Very high | 96 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 178.2 | -77.6 | -69.9 | 0 | 0 | 0 | 111.8 | V13 M76 L84 E96 I97 T102 Q103 I104 | V13-F100 HydrophobicContact CB-CD1 3.85Å; V13-F100 HydrophobicContact CB-CE1 4.03Å; V13-F100 HydrophobicContact CB-CG 4.34Å; V13-F100 HydrophobicContact CG1-CD1 4.47Å; V13-F100 HydrophobicContact CG2-CB 4.26Å; V13-F100 HydrophobicContact CG2-CD1 4.1Å; V13-F100 HydrophobicContact CG2-CG 4.22Å; M76-F100 HydrophobicContact CE-CD1 4.07Å; L84-F100 HydrophobicContact CD2-CB 4.36Å; E96-F100 HydrophobicContact CB-CD2 4.4Å; E96-F100 HydrophobicContact CB-CE2 4.28Å; E96-F100 WeakPolarHBondContact O-CD2 2.95Å; E96-F100 PolarHBondContact O-N 3.3Å; E96-F100 VanDerWaalsContact O-N 3.09Å; I97-F100 PolarHBondContact O-N 3.38Å; F100-T102 PolarHBondContact O-N 2.86Å; F100-Q103 PolarHBondContact O-N 2.91Å; F100-I104 WeakPolarHBondContact O-CD1 3.42Å; F100-I104 VanDerWaalsContact O-CG1 3.24Å; F100-I104 WeakPolarHBondContact O-CG1 3.48Å; F100-I104 PolarHBondContact O-N 3.02Å |
| 101 | H | 97.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.06 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.7 | -52.2 | 177.5 | 178.2 | -97.9 | 0 | 0 | 0 | 112 | L84 I97 Q103 I104 L105 F138 N142 | L84-H101 HydrophobicContact CD2-CB 3.93Å; I97-H101 WeakPolarHBondContact O-CB 3.09Å; I97-H101 PolarHBondContact O-N 3.46Å; H101-Q103 VanDerWaalsContact C-N 3.33Å; H101-Q103 PolarHBondContact O-N 2.8Å; H101-I104 PolarHBondContact O-N 3.04Å; H101-L105 WeakPolarHBondContact CE1-CD1 3.27Å; H101-L105 PolarHBondContact O-N 3.01Å; H101-L105 VanDerWaalsContact O-N 3.11Å; H101-F138 HydrophobicContact CB-CZ 4.02Å; H101-N142 PolarHBondContact CE1-OD1 2.89Å |
| 102 | T | 96 | Very high | 95.7 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | H98 K99 F100 R106 | H98-T102 WeakPolarHBondContact O-CB 3.27Å; H98-T102 PolarHBondContact O-N 3.05Å; H98-T102 VanDerWaalsContact O-N 3.09Å; H98-T102 PolarHBondContact O-OG1 2.84Å; K99-T102 PolarHBondContact O-N 3.36Å; F100-T102 PolarHBondContact O-N 2.86Å; T102-R106 WeakPolarHBondContact O-CB 3.42Å; T102-R106 PolarHBondContact O-N 2.81Å |
| 103 | Q | 94.6 | Very high | 95.8 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 179.3 | -74.8 | 178.4 | -14.9 | 0 | 0 | 112.1 | M76 K99 F100 H101 R106 V107 | M76-Q103 HydrophobicContact CE-CB 3.78Å; M76-Q103 HydrophobicContact SD-CB 3.85Å; K99-Q103 WeakPolarHBondContact O-CB 3.46Å; K99-Q103 VanDerWaalsContact O-CG 3.24Å; K99-Q103 WeakPolarHBondContact O-CG 3.3Å; K99-Q103 PolarHBondContact O-N 3.2Å; F100-Q103 PolarHBondContact O-N 2.91Å; H101-Q103 VanDerWaalsContact C-N 3.33Å; H101-Q103 PolarHBondContact O-N 2.8Å; Q103-R106 PolarHBondContact O-N 3.37Å; Q103-V107 WeakPolarHBondContact O-CG2 3.18Å; Q103-V107 PolarHBondContact O-N 3.39Å |
| 104 | I | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -53.3 | 176.4 | -70.5 | 161.5 | 0 | 0 | 0 | 109.8 | V13 M76 F82 F100 H101 R106 V107 K108 F113 M115 | V13-I104 HydrophobicContact CG2-CD1 4.21Å; M76-I104 HydrophobicContact CE-CG1 4.05Å; M76-I104 HydrophobicContact CG-CG1 4.04Å; M76-I104 HydrophobicContact SD-CG1 4.16Å; F82-I104 HydrophobicContact CB-CD1 4.03Å; F82-I104 HydrophobicContact CD1-CD1 3.73Å; F82-I104 HydrophobicContact CD1-CG1 4.13Å; F82-I104 HydrophobicContact CD2-CD1 4.28Å; F82-I104 HydrophobicContact CD2-CG2 3.8Å; F82-I104 HydrophobicContact CE1-CD1 4.32Å; F82-I104 HydrophobicContact CE1-CG1 4.21Å; F82-I104 HydrophobicContact CE2-CG2 3.69Å; F82-I104 HydrophobicContact CG-CD1 3.74Å; F82-I104 HydrophobicContact CG-CG1 4.36Å; F82-I104 HydrophobicContact CG-CG2 4.36Å; F82-I104 HydrophobicContact CZ-CG1 4.49Å; F82-I104 HydrophobicContact CZ-CG2 4.16Å; F100-I104 WeakPolarHBondContact O-CD1 3.42Å; F100-I104 VanDerWaalsContact O-CG1 3.24Å; F100-I104 WeakPolarHBondContact O-CG1 3.48Å; F100-I104 PolarHBondContact O-N 3.02Å; H101-I104 PolarHBondContact O-N 3.04Å; I104-R106 VanDerWaalsContact C-N 3.3Å; I104-R106 PolarHBondContact O-N 2.92Å; I104-V107 PolarHBondContact O-N 3.01Å; I104-K108 HydrophobicContact CG2-CG 4.27Å; I104-K108 WeakPolarHBondContact O-CB 3.18Å; I104-K108 VanDerWaalsContact O-CG 3.27Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 3.08Å; I104-F113 HydrophobicContact CG2-CD1 4.48Å; I104-M115 HydrophobicContact CB-SD 4.44Å; I104-M115 HydrophobicContact CD1-SD 4.15Å; I104-M115 HydrophobicContact CG2-CE 3.99Å; I104-M115 HydrophobicContact CG2-SD 4.1Å |
| 105 | L | 97.6 | Very high | 96 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 179.6 | -70.7 | -175.9 | 0 | 0 | 0 | 112.2 | H101 K108 D109 R110 F113 M115 | H101-L105 WeakPolarHBondContact CE1-CD1 3.27Å; H101-L105 PolarHBondContact O-N 3.01Å; H101-L105 VanDerWaalsContact O-N 3.11Å; L105-K108 PolarHBondContact O-N 3.44Å; L105-D109 PolarHBondContact O-N 3.27Å; L105-R110 WeakPolarHBondContact CB-O 3.44Å; L105-R110 PolarHBondContact O-N 3Å; L105-R110 VanDerWaalsContact O-N 3.15Å; L105-F113 HydrophobicContact CD2-CB 4.02Å; L105-M115 HydrophobicContact CD2-CE 3.43Å; L105-M115 VanDerWaalsContact CD2-CE 3.43Å; L105-M115 HydrophobicContact CG-CE 3.83Å |
| 106 | R | 96.7 | Very high | 96.1 | Very high | 210 Ų | 210 | 60.5 Ų | 60.5 | 79% | 0.792 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 176.1 | -178.6 | -178.5 | 174.8 | -169 | -2.5 | 112.7 | T102 Q103 I104 K108 D109 | T102-R106 WeakPolarHBondContact O-CB 3.42Å; T102-R106 PolarHBondContact O-N 2.81Å; Q103-R106 PolarHBondContact O-N 3.37Å; I104-R106 VanDerWaalsContact C-N 3.3Å; I104-R106 PolarHBondContact O-N 2.92Å; R106-K108 VanDerWaalsContact C-N 3.31Å; R106-D109 PolarHBondContact O-N 2.9Å |
| 107 | V | 95.9 | Very high | 96.3 | Very high | 28 Ų | 28 | 57.2 Ų | 57.2 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.6 | -33.2 | -179.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | E73 M76 R77 Q103 I104 D109 | E73-V107 HydrophobicContact CG-CG2 4.18Å; M76-V107 HydrophobicContact CB-CB 3.96Å; M76-V107 HydrophobicContact CB-CG1 3.73Å; M76-V107 HydrophobicContact CB-CG2 4.18Å; M76-V107 HydrophobicContact SD-CG2 4.09Å; R77-V107 HydrophobicContact CB-CG1 4Å; Q103-V107 WeakPolarHBondContact O-CG2 3.18Å; Q103-V107 PolarHBondContact O-N 3.39Å; I104-V107 PolarHBondContact O-N 3.01Å; V107-D109 VanDerWaalsContact C-N 3.31Å |
| 108 | K | 95.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.2 | -20.6 | 175.4 | -69.6 | -58.8 | -169.1 | -178.3 | 0 | 113.7 | M76 R77 G79 I104 L105 R106 R110 F113 | M76-K108 WeakPolarHBondContact O-CE 3.32Å; M76-K108 PolarHBondContact O-NZ 2.91Å; M76-K108 VanDerWaalsContact O-NZ 3.14Å; R77-K108 PolarHBondContact O-NZ 3.33Å; G79-K108 VanDerWaalsContact O-CE 3.3Å; G79-K108 WeakPolarHBondContact O-CE 3.41Å; G79-K108 PolarHBondContact O-NZ 2.78Å; I104-K108 HydrophobicContact CG2-CG 4.27Å; I104-K108 WeakPolarHBondContact O-CB 3.18Å; I104-K108 VanDerWaalsContact O-CG 3.27Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 3.08Å; L105-K108 PolarHBondContact O-N 3.44Å; R106-K108 VanDerWaalsContact C-N 3.31Å; K108-R110 HydrophobicContact CB-CB 4.23Å; K108-R110 HydrophobicContact CB-CG 3.86Å; K108-R110 WeakPolarHBondContact O-CG 3.4Å; K108-F113 HydrophobicContact CB-CD2 4.15Å; K108-F113 HydrophobicContact CD-CD2 4.1Å; K108-F113 HydrophobicContact CD-CE1 4.21Å; K108-F113 HydrophobicContact CD-CE2 3.75Å; K108-F113 HydrophobicContact CD-CG 4.48Å; K108-F113 HydrophobicContact CD-CZ 3.83Å; K108-F113 HydrophobicContact CG-CD1 4.18Å; K108-F113 HydrophobicContact CG-CD2 3.83Å; K108-F113 HydrophobicContact CG-CE1 4.38Å; K108-F113 HydrophobicContact CG-CE2 4.02Å; K108-F113 HydrophobicContact CG-CG 3.93Å; K108-F113 HydrophobicContact CG-CZ 4.31Å |
| 109 | D | 96.4 | Very high | 96.6 | Very high | 147 Ų | 147 | 53.3 Ų | 53.3 | 79% | 0.786 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 51.6 | -171.3 | -164.1 | 35.1 | 0 | 0 | 0 | 111.2 | L105 R106 V107 | L105-D109 PolarHBondContact O-N 3.27Å; R106-D109 PolarHBondContact O-N 2.9Å; V107-D109 VanDerWaalsContact C-N 3.31Å |
| 110 | R | 95.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | trans | -141.6 | 154.4 | -174.3 | -57.8 | -67.8 | -73 | -128.2 | 3.8 | 111.7 | L105 K108 D112 F113 F171 E175 | L105-R110 WeakPolarHBondContact CB-O 3.44Å; L105-R110 PolarHBondContact O-N 3Å; L105-R110 VanDerWaalsContact O-N 3.15Å; K108-R110 HydrophobicContact CB-CB 4.23Å; K108-R110 HydrophobicContact CB-CG 3.86Å; K108-R110 WeakPolarHBondContact O-CG 3.4Å; R110-D112 VanDerWaalsContact CB-O 3.26Å; R110-D112 WeakPolarHBondContact CB-O 3.41Å; R110-F113 HydrophobicContact CG-CD2 4.36Å; R110-F171 VanDerWaalsContact CZ-CZ 3.42Å; R110-F171 VanDerWaalsContact NH2-CE2 3.35Å; R110-E175 IonicContact CZ-OE1 2.6Å; R110-E175 IonicContact CZ-OE2 3.65Å; R110-E175 IonicContact NH1-OE1 2.69Å; R110-E175 IonicContact NH1-OE2 3.92Å; R110-E175 PolarHBondContact NH1-OE2 3.23Å; R110-E175 IonicContact NH2-OE1 3.02Å; R110-E175 PolarHBondContact NH2-OE1 3.06Å; R110-E175 IonicContact NH2-OE2 3.81Å; R110-E175 PolarHBondContact NH2-OE2 3.35Å | ||
| 111 | D | 93.8 | Very high | 97 | Very high | 158 Ų | 158 | 49.4 Ų | 49.4 | 85% | 0.845 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -84.2 | -25.4 | 170.7 | -66.8 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 112 | D | 94.6 | Very high | 97 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | trans | -140.3 | 152.1 | 175.7 | 63.5 | -7.7 | 0 | 0 | 0 | 111.6 | R110 | R110-D112 VanDerWaalsContact CB-O 3.26Å; R110-D112 WeakPolarHBondContact CB-O 3.41Å | ||
| 113 | F | 98.1 | Very high | 97.1 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | trans | -156.3 | 152.1 | 177.5 | -156.5 | -99.9 | 0 | 0 | 0 | 110.3 | E80 F82 I104 L105 K108 R110 M115 F171 | E80-F113 WeakPolarHBondContact O-CE1 3.35Å; F82-F113 AromaticContact CD2-CD1 3.87Å; F82-F113 HydrophobicContact CD2-CD1 3.87Å; F82-F113 HydrophobicContact CD2-CE1 4.08Å; F82-F113 AromaticContact CE2-CD1 3.66Å; F82-F113 HydrophobicContact CE2-CD1 3.66Å; F82-F113 AromaticContact CE2-CE1 3.58Å; F82-F113 HydrophobicContact CE2-CE1 3.58Å; I104-F113 HydrophobicContact CG2-CD1 4.48Å; L105-F113 HydrophobicContact CD2-CB 4.02Å; K108-F113 HydrophobicContact CB-CD2 4.15Å; K108-F113 HydrophobicContact CD-CD2 4.1Å; K108-F113 HydrophobicContact CD-CE1 4.21Å; K108-F113 HydrophobicContact CD-CE2 3.75Å; K108-F113 HydrophobicContact CD-CG 4.48Å; K108-F113 HydrophobicContact CD-CZ 3.83Å; K108-F113 HydrophobicContact CG-CD1 4.18Å; K108-F113 HydrophobicContact CG-CD2 3.83Å; K108-F113 HydrophobicContact CG-CE1 4.38Å; K108-F113 HydrophobicContact CG-CE2 4.02Å; K108-F113 HydrophobicContact CG-CG 3.93Å; K108-F113 HydrophobicContact CG-CZ 4.31Å; R110-F113 HydrophobicContact CG-CD2 4.36Å; F113-M115 HydrophobicContact CB-CE 3.8Å; F113-M115 WeakPolarHBondContact O-CG 3.38Å; F113-M115 PolarHBondContact O-N 2.8Å; F113-F171 HydrophobicContact CD2-CE1 4.24Å; F113-F171 HydrophobicContact CD2-CE2 4.38Å; F113-F171 AromaticContact CD2-CZ 3.8Å; F113-F171 HydrophobicContact CD2-CZ 3.8Å; F113-F171 AromaticContact CE2-CE1 3.98Å; F113-F171 HydrophobicContact CE2-CE1 3.98Å; F113-F171 AromaticContact CE2-CZ 3.98Å; F113-F171 HydrophobicContact CE2-CZ 3.98Å | ||
| 114 | P | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | trans | -55.5 | 111.3 | 177.9 | -30.3 | 37.4 | 0 | 0 | 0 | 113.5 | G81 F82 A167 I168 F171 | G81-P114 VanDerWaalsContact CA-O 3.28Å; G81-P114 WeakPolarHBondContact CA-O 3.33Å; F82-P114 PolarHBondContact N-O 2.67Å; P114-A167 HydrophobicContact CB-CB 4.13Å; P114-I168 HydrophobicContact CB-CB 4.39Å; P114-I168 HydrophobicContact CB-CG1 3.64Å; P114-I168 HydrophobicContact CG-CB 4.46Å; P114-I168 HydrophobicContact CG-CG1 4.1Å; P114-F171 HydrophobicContact CG-CB 3.5Å; P114-F171 VanDerWaalsContact CG-CB 3.5Å; P114-F171 HydrophobicContact CG-CD1 3.91Å; P114-F171 HydrophobicContact CG-CD2 4.19Å; P114-F171 HydrophobicContact CG-CG 3.63Å | ||
| 115 | M | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 142.9 | -175.1 | -71.1 | -169.5 | -109.7 | 0 | 0 | 110.5 | F82 L84 I104 L105 F113 I144 | F82-M115 HydrophobicContact CB-CG 4.14Å; F82-M115 HydrophobicContact CD2-CG 4.39Å; F82-M115 CarbonylContact O-C 3.5Å; F82-M115 WeakPolarHBondContact O-CA 3.38Å; L84-M115 HydrophobicContact CD1-CB 3.62Å; L84-M115 HydrophobicContact CD1-CG 3.81Å; L84-M115 HydrophobicContact CD1-SD 3.77Å; L84-M115 HydrophobicContact CD2-SD 4.43Å; I104-M115 HydrophobicContact CB-SD 4.44Å; I104-M115 HydrophobicContact CD1-SD 4.15Å; I104-M115 HydrophobicContact CG2-CE 3.99Å; I104-M115 HydrophobicContact CG2-SD 4.1Å; L105-M115 HydrophobicContact CD2-CE 3.43Å; L105-M115 VanDerWaalsContact CD2-CE 3.43Å; L105-M115 HydrophobicContact CG-CE 3.83Å; F113-M115 HydrophobicContact CB-CE 3.8Å; F113-M115 WeakPolarHBondContact O-CG 3.38Å; F113-M115 PolarHBondContact O-N 2.8Å; M115-I144 HydrophobicContact CB-CB 4.37Å; M115-I144 HydrophobicContact CB-CG2 3.7Å |
| 116 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.5 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | F82 L84 V118 H145 M147 E163 V164 | F82-V116 PolarHBondContact O-N 2.83Å; L84-V116 PolarHBondContact N-O 3.14Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å; V116-H145 HydrophobicContact CG1-CB 4.4Å; V116-H145 HydrophobicContact CG2-CB 4.29Å; V116-M147 HydrophobicContact CG1-CG 4.41Å; V116-M147 HydrophobicContact CG1-SD 4.18Å; V116-E163 HydrophobicContact CG2-CB 4.18Å; V116-E163 HydrophobicContact CG2-CG 3.97Å; V116-V164 HydrophobicContact CB-CG2 3.68Å; V116-V164 HydrophobicContact CG2-CB 4.24Å; V116-V164 HydrophobicContact CG2-CG2 3.41Å; V116-V164 VanDerWaalsContact CG2-CG2 3.41Å |
| 117 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.7 | 172.4 | -177.7 | 67.9 | 0 | 0 | 0 | 110 | L84 F86 I97 A135 F138 A139 I144 H145 Y146 M147 | L84-L117 HydrophobicContact CB-CD1 4.12Å; F86-L117 HydrophobicContact CD1-CD1 3.84Å; F86-L117 HydrophobicContact CD1-CG 4.37Å; F86-L117 HydrophobicContact CE1-CD1 3.85Å; F86-L117 HydrophobicContact CE1-CD2 4.2Å; F86-L117 HydrophobicContact CE1-CG 3.9Å; I97-L117 HydrophobicContact CB-CD1 4.48Å; I97-L117 HydrophobicContact CG1-CD1 4.16Å; I97-L117 HydrophobicContact CG2-CD1 3.57Å; L117-A135 HydrophobicContact CD2-CB 4.35Å; L117-F138 HydrophobicContact CD2-CD1 3.96Å; L117-A139 HydrophobicContact CD2-CB 4.22Å; L117-I144 HydrophobicContact CB-CD1 3.89Å; L117-I144 HydrophobicContact CB-CG1 4.5Å; L117-H145 PolarHBondContact N-O 3.35Å; L117-Y146 HydrophobicContact CB-CD2 4.08Å; L117-Y146 HydrophobicContact CD2-CD2 3.64Å; L117-Y146 HydrophobicContact CD2-CE2 4.3Å; L117-Y146 HydrophobicContact CD2-CG 4.2Å; L117-Y146 HydrophobicContact CG-CD2 3.74Å; L117-Y146 HydrophobicContact CG-CE2 4.41Å; L117-Y146 WeakPolarHBondContact O-CA 3.33Å; L117-Y146 WeakPolarHBondContact O-CD2 3.21Å; L117-M147 PolarHBondContact O-N 3.41Å |
| 118 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.6 | -177 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | L23 L83 L84 V85 F86 V116 N120 M147 A149 A160 | L23-V118 HydrophobicContact CD1-CG1 4.08Å; L83-V118 HydrophobicContact CD2-CG2 4.38Å; L84-V118 PolarHBondContact O-N 3.49Å; V85-V118 WeakPolarHBondContact CA-O 3.42Å; V85-V118 HydrophobicContact CG2-CB 4.32Å; F86-V118 WeakPolarHBondContact CD1-O 3.28Å; F86-V118 PolarHBondContact N-O 3.42Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å; V118-N120 PolarHBondContact O-N 2.81Å; V118-M147 WeakPolarHBondContact CA-O 3.15Å; V118-A149 HydrophobicContact CG1-CB 3.77Å; V118-A160 HydrophobicContact CG2-CB 4.11Å |
| 119 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 96.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F86 M147 E148 A149 | F86-G119 VanDerWaalsContact CE1-CA 3.49Å; G119-M147 PolarHBondContact N-O 2.88Å; G119-E148 CarbonylContact O-C 3.59Å; G119-E148 VanDerWaalsContact O-CA 3.25Å; G119-E148 WeakPolarHBondContact O-CA 3.34Å; G119-A149 PolarHBondContact O-N 2.88Å |
| 120 | N | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 169.6 | -177.7 | -165.2 | 24.4 | 0 | 0 | 0 | 112.3 | V18 G19 L23 V85 F86 L88 V118 A149 A151 | V18-N120 PolarHBondContact O-ND2 3.32Å; G19-N120 PolarHBondContact O-ND2 2.94Å; L23-N120 HydrophobicContact CD1-CB 4.26Å; V85-N120 HydrophobicContact CG1-CB 3.92Å; F86-N120 WeakPolarHBondContact O-CB 3.47Å; F86-N120 PolarHBondContact O-N 3.06Å; L88-N120 WeakPolarHBondContact CG-O 3.44Å; L88-N120 PolarHBondContact N-O 2.95Å; V118-N120 PolarHBondContact O-N 2.81Å; N120-A149 CarbonylContact C-O 3.57Å; N120-A149 VanDerWaalsContact CA-O 3.31Å; N120-A149 WeakPolarHBondContact CA-O 3.46Å; N120-A149 PolarHBondContact OD1-O 3.12Å; N120-A151 PolarHBondContact OD1-N 3.43Å |
| 121 | K | 97.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | trans | 64.4 | 35.8 | -178 | -47.6 | -173.9 | -170.1 | 172.7 | 0 | 113.3 | G17 A87 D123 L124 A149 | G17-K121 WeakPolarHBondContact O-CE 3.44Å; G17-K121 PolarHBondContact O-NZ 3.09Å; A87-K121 HydrophobicContact CB-CD 3.9Å; A87-K121 HydrophobicContact CB-CG 4.3Å; K121-D123 PolarHBondContact O-N 2.81Å; K121-D123 VanDerWaalsContact O-N 3.07Å; K121-L124 HydrophobicContact CB-CD1 4.06Å; K121-L124 HydrophobicContact CB-CG 4.27Å; K121-L124 HydrophobicContact CD-CD1 4.08Å; K121-L124 WeakPolarHBondContact O-CB 3.47Å; K121-L124 PolarHBondContact O-N 2.88Å; K121-A149 PolarHBondContact N-O 3.49Å | ||
| 122 | A | 98 | Very high | 97.3 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | L88 L124 E148 A149 Y155 | L88-A122 HydrophobicContact CD1-CB 3.78Å; A122-L124 PolarHBondContact O-N 2.85Å; A122-E148 HydrophobicContact CB-CB 4.19Å; A122-A149 WeakPolarHBondContact CB-O 3.44Å; A122-A149 PolarHBondContact N-O 2.89Å; A122-Y155 HydrophobicContact CB-CD1 4.33Å |
| 123 | D | 97.4 | Very high | 97.5 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.2 | 170.7 | 59.8 | -76.2 | 0 | 0 | 0 | 113.9 | K121 D125 S150 K152 N153 | K121-D123 PolarHBondContact O-N 2.81Å; K121-D123 VanDerWaalsContact O-N 3.07Å; D123-D125 PolarHBondContact O-N 3.15Å; D123-S150 VanDerWaalsContact CG-OG 3.31Å; D123-S150 WeakPolarHBondContact OD1-CB 3.24Å; D123-S150 PolarHBondContact OD1-OG 2.86Å; D123-K152 WeakPolarHBondContact OD2-CD 3.33Å; D123-K152 IonicContact OD2-NZ 2.67Å; D123-N153 WeakPolarHBondContact CB-ND2 3.47Å |
| 124 | L | 95.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | trans | -97 | 44.9 | 179.4 | -57 | -176.9 | 0 | 0 | 0 | 112.2 | K121 A122 Q126 S127 R128 | K121-L124 HydrophobicContact CB-CD1 4.06Å; K121-L124 HydrophobicContact CB-CG 4.27Å; K121-L124 HydrophobicContact CD-CD1 4.08Å; K121-L124 WeakPolarHBondContact O-CB 3.47Å; K121-L124 PolarHBondContact O-N 2.88Å; A122-L124 PolarHBondContact O-N 2.85Å; L124-Q126 PolarHBondContact O-N 3.37Å; L124-Q126 VanDerWaalsContact O-N 3.17Å; L124-S127 PolarHBondContact O-N 2.87Å; L124-S127 PolarHBondContact O-OG 2.78Å; L124-R128 PolarHBondContact O-N 3.32Å | ||
| 125 | D | 92.9 | Very high | 97.4 | Very high | 99 Ų | 99 | 52.9 Ų | 52.9 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -59.9 | -32 | -172.5 | -164.6 | 60.3 | 0 | 0 | 0 | 113.5 | D123 S127 R128 | D123-D125 PolarHBondContact O-N 3.15Å; D125-S127 PolarHBondContact O-N 3.44Å; D125-R128 WeakPolarHBondContact O-CB 3.27Å; D125-R128 PolarHBondContact O-N 3.2Å; D125-R128 IonicContact OD1-CZ 3.88Å; D125-R128 IonicContact OD1-NE 2.76Å; D125-R128 PolarHBondContact OD1-NE 3.46Å; D125-R128 IonicContact OD1-NH2 3.71Å; D125-R128 PolarHBondContact OD1-NH2 3.36Å; D125-R128 VanDerWaalsContact OD1-NH2 3.1Å |
| 126 | Q | 95.3 | Very high | 97.4 | Very high | 207 Ų | 207 | 55.6 Ų | 55.6 | 97% | 0.967 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -66 | -21.9 | 176.8 | -65.4 | -178 | 6.8 | 0 | 0 | 114 | L124 | L124-Q126 PolarHBondContact O-N 3.37Å; L124-Q126 VanDerWaalsContact O-N 3.17Å |
| 127 | S | 95.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -110.2 | 16.3 | 177.2 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | N89 L124 D125 A129 | N89-S127 WeakPolarHBondContact CA-O 3.46Å; N89-S127 WeakPolarHBondContact CB-O 3.24Å; L124-S127 PolarHBondContact O-N 2.87Å; L124-S127 PolarHBondContact O-OG 2.78Å; D125-S127 PolarHBondContact O-N 3.44Å; S127-A129 PolarHBondContact O-N 3.09Å |
| 128 | R | 97.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 56.9 Ų | 56.9 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | trans | -56.7 | 125.5 | 176 | 179.9 | -177.5 | -69.4 | -91 | 4.9 | 110.7 | L124 D125 I130 E148 | L124-R128 PolarHBondContact O-N 3.32Å; D125-R128 WeakPolarHBondContact O-CB 3.27Å; D125-R128 PolarHBondContact O-N 3.2Å; D125-R128 IonicContact OD1-CZ 3.88Å; D125-R128 IonicContact OD1-NE 2.76Å; D125-R128 PolarHBondContact OD1-NE 3.46Å; D125-R128 IonicContact OD1-NH2 3.71Å; D125-R128 PolarHBondContact OD1-NH2 3.36Å; D125-R128 VanDerWaalsContact OD1-NH2 3.1Å; R128-I130 WeakPolarHBondContact CD-O 3.19Å; R128-I130 WeakPolarHBondContact CG-O 3.37Å; R128-I130 PolarHBondContact NH1-O 3.29Å; R128-E148 IonicContact CZ-OE1 3.43Å; R128-E148 IonicContact CZ-OE2 2.74Å; R128-E148 IonicContact NH1-OE1 3.5Å; R128-E148 PolarHBondContact NH1-OE1 2.74Å; R128-E148 IonicContact NH1-OE2 3.53Å; R128-E148 IonicContact NH2-OE1 3.1Å; R128-E148 IonicContact NH2-OE2 2.87Å; R128-E148 PolarHBondContact NH2-OE2 3.41Å | ||
| 129 | A | 97.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | trans | -111.5 | -18 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L88 S127 | L88-A129 PolarHBondContact O-N 2.87Å; S127-A129 PolarHBondContact O-N 3.09Å | ||
| 130 | I | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -114.4 | 126.5 | 178.4 | -58.1 | 88.1 | 0 | 0 | 0 | 109.6 | F86 A87 L88 Y94 R128 E134 A135 | F86-I130 HydrophobicContact CD2-CD1 4.34Å; F86-I130 HydrophobicContact CE2-CB 4.04Å; F86-I130 HydrophobicContact CE2-CD1 4.29Å; F86-I130 HydrophobicContact CE2-CG1 4.15Å; F86-I130 HydrophobicContact CE2-CG2 3.95Å; F86-I130 HydrophobicContact CZ-CG2 4.38Å; A87-I130 WeakPolarHBondContact O-CD1 3.49Å; L88-I130 VanDerWaalsContact O-CD1 3.26Å; L88-I130 WeakPolarHBondContact O-CD1 3.17Å; L88-I130 PolarHBondContact O-N 2.9Å; L88-I130 VanDerWaalsContact O-N 3.14Å; Y94-I130 HydrophobicContact CD1-CG1 4.31Å; Y94-I130 HydrophobicContact CD1-CG2 4.37Å; Y94-I130 HydrophobicContact CD2-CG2 4.35Å; Y94-I130 HydrophobicContact CE1-CG2 4.49Å; Y94-I130 HydrophobicContact CE2-CG2 4.47Å; Y94-I130 HydrophobicContact CG-CG1 4.06Å; Y94-I130 HydrophobicContact CG-CG2 4.3Å; R128-I130 WeakPolarHBondContact CD-O 3.19Å; R128-I130 WeakPolarHBondContact CG-O 3.37Å; R128-I130 PolarHBondContact NH1-O 3.29Å; I130-E134 HydrophobicContact CG2-CB 4.45Å; I130-E134 HydrophobicContact CG2-CG 4.47Å; I130-A135 HydrophobicContact CG2-CB 4.29Å |
| 131 | S | 97.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | trans | -75.5 | 152.7 | 176.5 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | E133 E134 A135 | S131-E133 PolarHBondContact O-N 3.43Å; S131-E134 PolarHBondContact O-N 3.09Å; S131-E134 WeakPolarHBondContact OG-CB 3.47Å; S131-E134 PolarHBondContact OG-N 3.23Å; S131-E134 VanDerWaalsContact OG-N 3.15Å; S131-A135 PolarHBondContact O-N 3.48Å | ||
| 132 | R | 97 | Very high | 97.2 | Very high | 155 Ų | 155 | 72.2 Ų | 72.2 | 59% | 0.585 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.2 | -37.4 | 175.7 | -170.9 | -178.2 | 177.4 | 172.8 | 0.8 | 110.7 | Q136 Y146 | R132-Q136 WeakPolarHBondContact O-CB 3.49Å; R132-Q136 PolarHBondContact O-N 3.18Å; R132-Y146 HydrophobicContact CG-CE1 3.96Å |
| 133 | E | 97.9 | Very high | 97.1 | Very high | 139 Ų | 139 | 81.2 Ų | 81.2 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | -179.4 | -67 | 68.2 | -150.4 | 0 | 0 | 111.7 | S131 G137 | S131-E133 PolarHBondContact O-N 3.43Å; E133-G137 PolarHBondContact O-N 3.42Å |
| 134 | E | 97.3 | Very high | 97 | Very high | 87 Ų | 87 | 79.9 Ų | 79.9 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -53.3 | 178.2 | -179.7 | 179.3 | -175.3 | 0 | 0 | 111.6 | Y94 I130 S131 Q136 G137 F138 | Y94-E134 HydrophobicContact CE1-CG 3.83Å; Y94-E134 WeakPolarHBondContact CE1-OE1 3.46Å; Y94-E134 PolarHBondContact OH-O 2.82Å; I130-E134 HydrophobicContact CG2-CB 4.45Å; I130-E134 HydrophobicContact CG2-CG 4.47Å; S131-E134 PolarHBondContact O-N 3.09Å; S131-E134 WeakPolarHBondContact OG-CB 3.47Å; S131-E134 PolarHBondContact OG-N 3.23Å; S131-E134 VanDerWaalsContact OG-N 3.15Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.02Å; E134-G137 WeakPolarHBondContact O-CA 3.28Å; E134-G137 PolarHBondContact O-N 3.42Å; E134-G137 VanDerWaalsContact O-N 3.09Å; E134-F138 PolarHBondContact O-N 3.15Å |
| 135 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F86 Y94 L117 I130 S131 G137 F138 A139 Y146 | F86-A135 HydrophobicContact CE1-CB 4.43Å; F86-A135 HydrophobicContact CZ-CB 3.85Å; Y94-A135 HydrophobicContact CE2-CB 4.16Å; Y94-A135 WeakPolarHBondContact OH-CA 3.46Å; L117-A135 HydrophobicContact CD2-CB 4.35Å; I130-A135 HydrophobicContact CG2-CB 4.29Å; S131-A135 PolarHBondContact O-N 3.48Å; A135-G137 VanDerWaalsContact C-N 3.29Å; A135-G137 PolarHBondContact O-N 3.34Å; A135-F138 PolarHBondContact O-N 2.93Å; A135-A139 WeakPolarHBondContact O-CB 3.47Å; A135-A139 PolarHBondContact O-N 3.1Å; A135-A139 VanDerWaalsContact O-N 3.09Å; A135-Y146 HydrophobicContact CB-CD1 4.33Å; A135-Y146 HydrophobicContact CB-CD2 4.17Å; A135-Y146 HydrophobicContact CB-CE1 3.76Å; A135-Y146 HydrophobicContact CB-CE2 3.61Å |
| 136 | Q | 98.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 76.8 Ų | 76.8 | 29% | 0.29 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.9 | -30.5 | 174.4 | -173.6 | 64.7 | 70.8 | 0 | 0 | 112.5 | R132 E134 R140 Y146 | R132-Q136 WeakPolarHBondContact O-CB 3.49Å; R132-Q136 PolarHBondContact O-N 3.18Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.02Å; Q136-R140 VanDerWaalsContact O-CB 3.32Å; Q136-R140 WeakPolarHBondContact O-CB 3.2Å; Q136-R140 PolarHBondContact O-N 3.1Å; Q136-R140 VanDerWaalsContact O-N 3.08Å; Q136-Y146 HydrophobicContact CB-CD1 4.02Å; Q136-Y146 HydrophobicContact CB-CE1 4.41Å |
| 137 | G | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 67.7 Ų | 67.7 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -57.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | E133 E134 A135 A139 R140 E141 | E133-G137 PolarHBondContact O-N 3.42Å; E134-G137 WeakPolarHBondContact O-CA 3.28Å; E134-G137 PolarHBondContact O-N 3.42Å; E134-G137 VanDerWaalsContact O-N 3.09Å; A135-G137 VanDerWaalsContact C-N 3.29Å; A135-G137 PolarHBondContact O-N 3.34Å; G137-A139 VanDerWaalsContact C-N 3.31Å; G137-A139 PolarHBondContact O-N 3.39Å; G137-R140 PolarHBondContact O-N 3.11Å; G137-E141 WeakPolarHBondContact O-CG 3.42Å; G137-E141 PolarHBondContact O-N 2.81Å |
| 138 | F | 97.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.8 | -46.4 | 176.2 | 175.4 | -91.8 | 0 | 0 | 0 | 112.1 | Y94 I97 H98 H101 L117 E134 A135 R140 E141 N142 I144 | Y94-F138 WeakPolarHBondContact OH-CB 3.04Å; I97-F138 HydrophobicContact CG2-CD1 4.44Å; I97-F138 HydrophobicContact CG2-CE1 3.73Å; I97-F138 HydrophobicContact CG2-CZ 3.96Å; H98-F138 AromaticContact CE1-CD2 3.33Å; H98-F138 WeakPolarHBondContact CE1-CD2 3.12Å; H98-F138 AromaticContact CE1-CE2 3.53Å; H98-F138 AromaticContact CG-CE2 3.98Å; H98-F138 AromaticContact ND1-CD2 3.69Å; H98-F138 AromaticContact ND1-CE2 3.37Å; H98-F138 WeakPolarHBondContact ND1-CE2 3.2Å; H98-F138 AromaticContact NE2-CD2 3.95Å; H101-F138 HydrophobicContact CB-CZ 4.02Å; L117-F138 HydrophobicContact CD2-CD1 3.96Å; E134-F138 PolarHBondContact O-N 3.15Å; A135-F138 PolarHBondContact O-N 2.93Å; F138-R140 VanDerWaalsContact C-N 3.32Å; F138-R140 PolarHBondContact O-N 2.79Å; F138-E141 PolarHBondContact O-N 3.19Å; F138-N142 WeakPolarHBondContact CD2-ND2 3.43Å; F138-N142 VanDerWaalsContact CE2-ND2 3.32Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.37Å; F138-N142 PolarHBondContact O-N 2.6Å; F138-N142 VanDerWaalsContact O-N 3.1Å; F138-N142 PolarHBondContact O-ND2 3.35Å; F138-I144 HydrophobicContact CD1-CD1 4.22Å; F138-I144 HydrophobicContact CE1-CD1 3.75Å |
| 139 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 A135 G137 N142 R143 I144 Y146 | L117-A139 HydrophobicContact CD2-CB 4.22Å; A135-A139 WeakPolarHBondContact O-CB 3.47Å; A135-A139 PolarHBondContact O-N 3.1Å; A135-A139 VanDerWaalsContact O-N 3.09Å; G137-A139 VanDerWaalsContact C-N 3.31Å; G137-A139 PolarHBondContact O-N 3.39Å; A139-N142 CarbonylContact O-C 3.52Å; A139-N142 PolarHBondContact O-N 3.07Å; A139-R143 PolarHBondContact O-N 2.92Å; A139-I144 CarbonylContact C-O 3.55Å; A139-I144 HydrophobicContact CB-CG1 3.99Å; A139-I144 WeakPolarHBondContact CB-O 3.22Å; A139-I144 PolarHBondContact O-N 2.91Å; A139-Y146 VanDerWaalsContact CB-CB 3.45Å; A139-Y146 HydrophobicContact CB-CG 4.45Å |
| 140 | R | 97.9 | Very high | 97.8 | Very high | 176 Ų | 176 | 60.3 Ų | 60.3 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.4 | -43.7 | 177.9 | -169.6 | -168.9 | -31.9 | -170.9 | 8 | 112.2 | Q136 G137 F138 N142 R143 | Q136-R140 VanDerWaalsContact O-CB 3.32Å; Q136-R140 WeakPolarHBondContact O-CB 3.2Å; Q136-R140 PolarHBondContact O-N 3.1Å; Q136-R140 VanDerWaalsContact O-N 3.08Å; G137-R140 PolarHBondContact O-N 3.11Å; F138-R140 VanDerWaalsContact C-N 3.32Å; F138-R140 PolarHBondContact O-N 2.79Å; R140-N142 VanDerWaalsContact C-N 3.25Å; R140-N142 PolarHBondContact O-N 3.38Å; R140-R143 PolarHBondContact O-N 3.03Å |
| 141 | E | 97.4 | Very high | 97.7 | Very high | 155 Ų | 155 | 60.4 Ų | 60.4 | 72% | 0.724 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60 | -38.7 | 178 | -73 | 171.8 | -174.8 | 0 | 0 | 111.6 | G137 F138 | G137-E141 WeakPolarHBondContact O-CG 3.42Å; G137-E141 PolarHBondContact O-N 2.81Å; F138-E141 PolarHBondContact O-N 3.19Å |
| 142 | N | 97.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 63.9 Ų | 63.9 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.9 | -177.8 | -62.7 | -79.9 | 0 | 0 | 0 | 113.7 | H101 F138 A139 R140 I144 | H101-N142 PolarHBondContact CE1-OD1 2.89Å; F138-N142 WeakPolarHBondContact CD2-ND2 3.43Å; F138-N142 VanDerWaalsContact CE2-ND2 3.32Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.37Å; F138-N142 PolarHBondContact O-N 2.6Å; F138-N142 VanDerWaalsContact O-N 3.1Å; F138-N142 PolarHBondContact O-ND2 3.35Å; A139-N142 CarbonylContact O-C 3.52Å; A139-N142 PolarHBondContact O-N 3.07Å; R140-N142 VanDerWaalsContact C-N 3.25Å; R140-N142 PolarHBondContact O-N 3.38Å; N142-I144 HydrophobicContact CB-CG1 4.44Å; N142-I144 PolarHBondContact O-N 3.33Å |
| 143 | R | 95.6 | Very high | 97.5 | Very high | 207 Ų | 207 | 61.5 Ų | 61.5 | 78% | 0.781 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 32.1 | 179.9 | -50.1 | 178.3 | -171 | 134.2 | 4.3 | 114.3 | A139 R140 | A139-R143 PolarHBondContact O-N 2.92Å; R140-R143 PolarHBondContact O-N 3.03Å |
| 144 | I | 96.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | trans | -104.6 | 153 | 175.6 | 64 | 175.9 | 0 | 0 | 0 | 110.3 | M115 L117 F138 A139 N142 | M115-I144 HydrophobicContact CB-CB 4.37Å; M115-I144 HydrophobicContact CB-CG2 3.7Å; L117-I144 HydrophobicContact CB-CD1 3.89Å; L117-I144 HydrophobicContact CB-CG1 4.5Å; F138-I144 HydrophobicContact CD1-CD1 4.22Å; F138-I144 HydrophobicContact CE1-CD1 3.75Å; A139-I144 CarbonylContact C-O 3.55Å; A139-I144 HydrophobicContact CB-CG1 3.99Å; A139-I144 WeakPolarHBondContact CB-O 3.22Å; A139-I144 PolarHBondContact O-N 2.91Å; N142-I144 HydrophobicContact CB-CG1 4.44Å; N142-I144 PolarHBondContact O-N 3.33Å | ||
| 145 | H | 97.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 61 Ų | 61 | 39% | 0.394 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 145.2 | 174 | -167.6 | 89.9 | 0 | 0 | 0 | 110 | V116 L117 E163 | V116-H145 HydrophobicContact CG1-CB 4.4Å; V116-H145 HydrophobicContact CG2-CB 4.29Å; L117-H145 PolarHBondContact N-O 3.35Å; H145-E163 HydrophobicContact CB-CG 4.05Å; H145-E163 IonicContact CG-OE1 2.7Å; H145-E163 IonicContact ND1-OE1 3.34Å |
| 146 | Y | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.4 | 172.8 | 166.6 | -118.1 | 0 | 0 | 0 | 111.2 | F86 L117 R132 A135 Q136 A139 E148 | F86-Y146 HydrophobicContact CE1-CE2 4.1Å; F86-Y146 HydrophobicContact CZ-CE2 4.11Å; L117-Y146 HydrophobicContact CB-CD2 4.08Å; L117-Y146 HydrophobicContact CD2-CD2 3.64Å; L117-Y146 HydrophobicContact CD2-CE2 4.3Å; L117-Y146 HydrophobicContact CD2-CG 4.2Å; L117-Y146 HydrophobicContact CG-CD2 3.74Å; L117-Y146 HydrophobicContact CG-CE2 4.41Å; L117-Y146 WeakPolarHBondContact O-CA 3.33Å; L117-Y146 WeakPolarHBondContact O-CD2 3.21Å; R132-Y146 HydrophobicContact CG-CE1 3.96Å; A135-Y146 HydrophobicContact CB-CD1 4.33Å; A135-Y146 HydrophobicContact CB-CD2 4.17Å; A135-Y146 HydrophobicContact CB-CE1 3.76Å; A135-Y146 HydrophobicContact CB-CE2 3.61Å; Q136-Y146 HydrophobicContact CB-CD1 4.02Å; Q136-Y146 HydrophobicContact CB-CE1 4.41Å; A139-Y146 VanDerWaalsContact CB-CB 3.45Å; A139-Y146 HydrophobicContact CB-CG 4.45Å; Y146-E148 HydrophobicContact CE2-CG 4.45Å; Y146-E148 WeakPolarHBondContact OH-CG 3.26Å; Y146-E148 PolarHBondContact OH-OE1 2.97Å |
| 147 | M | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.2 | 171.6 | 65.1 | -161 | -63.3 | 0 | 0 | 112.3 | V116 L117 V118 G119 N156 E159 A160 | V116-M147 HydrophobicContact CG1-CG 4.41Å; V116-M147 HydrophobicContact CG1-SD 4.18Å; L117-M147 PolarHBondContact O-N 3.41Å; V118-M147 WeakPolarHBondContact CA-O 3.15Å; G119-M147 PolarHBondContact N-O 2.88Å; M147-N156 HydrophobicContact CE-CB 3.63Å; M147-E159 HydrophobicContact CE-CB 3.61Å; M147-E159 HydrophobicContact CE-CG 3.61Å; M147-A160 HydrophobicContact CE-CB 4.29Å; M147-A160 WeakPolarHBondContact SD-CA 3.35Å; M147-A160 HydrophobicContact SD-CB 3.84Å |
| 148 | E | 98.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 142.9 | 169.5 | -64.5 | -171.7 | 179.8 | 0 | 0 | 110 | L88 G119 A122 R128 Y146 Y155 N156 | L88-E148 HydrophobicContact CD1-CB 4.29Å; L88-E148 HydrophobicContact CD1-CG 4.02Å; L88-E148 HydrophobicContact CD2-CG 4.37Å; G119-E148 CarbonylContact O-C 3.59Å; G119-E148 VanDerWaalsContact O-CA 3.25Å; G119-E148 WeakPolarHBondContact O-CA 3.34Å; A122-E148 HydrophobicContact CB-CB 4.19Å; R128-E148 IonicContact CZ-OE1 3.43Å; R128-E148 IonicContact CZ-OE2 2.74Å; R128-E148 IonicContact NH1-OE1 3.5Å; R128-E148 PolarHBondContact NH1-OE1 2.74Å; R128-E148 IonicContact NH1-OE2 3.53Å; R128-E148 IonicContact NH2-OE1 3.1Å; R128-E148 IonicContact NH2-OE2 2.87Å; R128-E148 PolarHBondContact NH2-OE2 3.41Å; Y146-E148 HydrophobicContact CE2-CG 4.45Å; Y146-E148 WeakPolarHBondContact OH-CG 3.26Å; Y146-E148 PolarHBondContact OH-OE1 2.97Å; E148-Y155 HydrophobicContact CB-CE1 4.46Å; E148-Y155 VanDerWaalsContact O-CE1 3.3Å; E148-Y155 WeakPolarHBondContact O-CE1 3.38Å; E148-N156 WeakPolarHBondContact O-CB 3.34Å; E148-N156 PolarHBondContact O-ND2 3.37Å |
| 149 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -136.5 | 159.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L23 V118 G119 N120 K121 A122 Y155 N156 | L23-A149 HydrophobicContact CD2-CB 4.08Å; V118-A149 HydrophobicContact CG1-CB 3.77Å; G119-A149 PolarHBondContact O-N 2.88Å; N120-A149 CarbonylContact C-O 3.57Å; N120-A149 VanDerWaalsContact CA-O 3.31Å; N120-A149 WeakPolarHBondContact CA-O 3.46Å; N120-A149 PolarHBondContact OD1-O 3.12Å; K121-A149 PolarHBondContact N-O 3.49Å; A122-A149 WeakPolarHBondContact CB-O 3.44Å; A122-A149 PolarHBondContact N-O 2.89Å; A149-Y155 CarbonylContact C-O 3.57Å; A149-Y155 VanDerWaalsContact CA-O 3.25Å; A149-Y155 WeakPolarHBondContact CA-O 3.31Å; A149-Y155 WeakPolarHBondContact CB-O 3.34Å; A149-N156 HydrophobicContact CB-CB 4.2Å | ||
| 150 | S | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 109 | 166.2 | 172.2 | 0 | 0 | 0 | 0 | 108.7 | D123 K152 N153 R154 Y155 V157 | D123-S150 VanDerWaalsContact CG-OG 3.31Å; D123-S150 WeakPolarHBondContact OD1-CB 3.24Å; D123-S150 PolarHBondContact OD1-OG 2.86Å; S150-K152 PolarHBondContact O-N 3.17Å; S150-K152 PolarHBondContact OG-N 2.88Å; S150-N153 PolarHBondContact O-N 3.47Å; S150-N153 PolarHBondContact OG-N 3.09Å; S150-N153 VanDerWaalsContact OG-N 3.08Å; S150-R154 CarbonylContact O-C 3.58Å; S150-R154 VanDerWaalsContact O-CA 3.31Å; S150-R154 WeakPolarHBondContact O-CA 3.47Å; S150-R154 PolarHBondContact O-N 3.21Å; S150-Y155 PolarHBondContact N-O 3.34Å; S150-Y155 PolarHBondContact O-N 3.05Å; S150-V157 WeakPolarHBondContact O-CG2 2.86Å |
| 151 | A | 96.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -40 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A22 L23 Q26 F32 N120 R154 | A22-A151 HydrophobicContact CB-CB 3.69Å; L23-A151 HydrophobicContact CD2-CB 3.94Å; L23-A151 HydrophobicContact CG-CB 4.2Å; Q26-A151 WeakPolarHBondContact CG-O 3.36Å; Q26-A151 PolarHBondContact NE2-O 3.39Å; F32-A151 HydrophobicContact CD2-CB 4.35Å; F32-A151 HydrophobicContact CE2-CB 4.17Å; N120-A151 PolarHBondContact OD1-N 3.43Å; A151-R154 PolarHBondContact O-N 2.6Å |
| 152 | K | 94.8 | Very high | 97.4 | Very high | 118 Ų | 118 | 50.5 Ų | 50.5 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -47.7 | -179.3 | -175.8 | -173.6 | -179.2 | 178.8 | 0 | 112.6 | F32 D123 S150 | F32-K152 HydrophobicContact CE1-CG 4.44Å; F32-K152 HydrophobicContact CE2-CB 4.23Å; F32-K152 HydrophobicContact CZ-CB 4.25Å; D123-K152 WeakPolarHBondContact OD2-CD 3.33Å; D123-K152 IonicContact OD2-NZ 2.67Å; S150-K152 PolarHBondContact O-N 3.17Å; S150-K152 PolarHBondContact OG-N 2.88Å |
| 153 | N | 94.7 | Very high | 97.5 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 2.9 | -176.1 | -65.1 | -10.7 | 0 | 0 | 0 | 113.2 | D123 S150 Y155 | D123-N153 WeakPolarHBondContact CB-ND2 3.47Å; S150-N153 PolarHBondContact O-N 3.47Å; S150-N153 PolarHBondContact OG-N 3.09Å; S150-N153 VanDerWaalsContact OG-N 3.08Å; N153-Y155 PolarHBondContact O-N 3.31Å; N153-Y155 VanDerWaalsContact O-N 3.14Å |
| 154 | R | 95.4 | Very high | 97.7 | Very high | 90 Ų | 90 | 40 Ų | 40 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 24.6 | -169.1 | -159.9 | -180 | 173.3 | 155 | 10 | 113.6 | Q26 S30 S150 A151 N156 V157 D158 | Q26-R154 HydrophobicContact CG-CB 4.22Å; Q26-R154 HydrophobicContact CG-CG 3.96Å; S30-R154 PolarHBondContact OG-NH1 2.85Å; S30-R154 PolarHBondContact OG-NH2 2.82Å; S150-R154 CarbonylContact O-C 3.58Å; S150-R154 VanDerWaalsContact O-CA 3.31Å; S150-R154 WeakPolarHBondContact O-CA 3.47Å; S150-R154 PolarHBondContact O-N 3.21Å; A151-R154 PolarHBondContact O-N 2.6Å; R154-N156 PolarHBondContact O-N 3.14Å; R154-V157 HydrophobicContact CG-CB 4.18Å; R154-V157 HydrophobicContact CG-CG2 4.33Å; R154-D158 IonicContact CZ-OD1 3.58Å; R154-D158 IonicContact CZ-OD2 3.35Å; R154-D158 IonicContact NE-OD1 3.51Å; R154-D158 IonicContact NE-OD2 3.63Å; R154-D158 PolarHBondContact NE-OD2 3.28Å; R154-D158 IonicContact NH2-OD1 3.83Å; R154-D158 PolarHBondContact NH2-OD1 3.36Å; R154-D158 IonicContact NH2-OD2 2.78Å; R154-D158 PolarHBondContact NH2-OD2 3.26Å |
| 155 | Y | 97.9 | Very high | 97.7 | Very high | 125 Ų | 125 | 39.2 Ų | 39.2 | 49% | 0.49 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -73.3 | 123.1 | 177.1 | 174.7 | -111.8 | 0 | 0 | 0 | 109.4 | A122 E148 A149 S150 N153 V157 | A122-Y155 HydrophobicContact CB-CD1 4.33Å; E148-Y155 HydrophobicContact CB-CE1 4.46Å; E148-Y155 VanDerWaalsContact O-CE1 3.3Å; E148-Y155 WeakPolarHBondContact O-CE1 3.38Å; A149-Y155 CarbonylContact C-O 3.57Å; A149-Y155 VanDerWaalsContact CA-O 3.25Å; A149-Y155 WeakPolarHBondContact CA-O 3.31Å; A149-Y155 WeakPolarHBondContact CB-O 3.34Å; S150-Y155 PolarHBondContact N-O 3.34Å; S150-Y155 PolarHBondContact O-N 3.05Å; N153-Y155 PolarHBondContact O-N 3.31Å; N153-Y155 VanDerWaalsContact O-N 3.14Å; Y155-V157 PolarHBondContact O-N 2.96Å |
| 156 | N | 98.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 16.1 | 178.5 | -76.2 | -11.7 | 0 | 0 | 0 | 115.8 | M147 E148 A149 R154 A160 | M147-N156 HydrophobicContact CE-CB 3.63Å; E148-N156 WeakPolarHBondContact O-CB 3.34Å; E148-N156 PolarHBondContact O-ND2 3.37Å; A149-N156 HydrophobicContact CB-CB 4.2Å; R154-N156 PolarHBondContact O-N 3.14Å; N156-A160 WeakPolarHBondContact O-CB 3.24Å; N156-A160 PolarHBondContact O-N 3.19Å |
| 157 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -55.6 | -179.4 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | L23 Q26 F27 S150 R154 Y155 E159 A160 F161 | L23-V157 HydrophobicContact CD2-CG1 4.42Å; L23-V157 HydrophobicContact CD2-CG2 3.83Å; L23-V157 WeakPolarHBondContact O-CG1 3.35Å; Q26-V157 HydrophobicContact CB-CG1 4.13Å; Q26-V157 HydrophobicContact CG-CB 4.47Å; Q26-V157 HydrophobicContact CG-CG1 4.06Å; Q26-V157 HydrophobicContact CG-CG2 4.18Å; F27-V157 HydrophobicContact CB-CG1 3.89Å; S150-V157 WeakPolarHBondContact O-CG2 2.86Å; R154-V157 HydrophobicContact CG-CB 4.18Å; R154-V157 HydrophobicContact CG-CG2 4.33Å; Y155-V157 PolarHBondContact O-N 2.96Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-E159 PolarHBondContact O-N 2.99Å; V157-A160 PolarHBondContact O-N 2.79Å; V157-F161 HydrophobicContact CG1-CE2 4.43Å; V157-F161 VanDerWaalsContact O-CD2 3.26Å; V157-F161 WeakPolarHBondContact O-CD2 3.33Å |
| 158 | D | 97.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.1 | -46.6 | -179.6 | -56.7 | -72.8 | 0 | 0 | 0 | 110.5 | F27 R154 A160 F161 L162 | F27-D158 HydrophobicContact CD2-CB 4.26Å; F27-D158 WeakPolarHBondContact CD2-OD1 3.26Å; F27-D158 HydrophobicContact CE2-CB 4.24Å; R154-D158 IonicContact CZ-OD1 3.58Å; R154-D158 IonicContact CZ-OD2 3.35Å; R154-D158 IonicContact NE-OD1 3.51Å; R154-D158 IonicContact NE-OD2 3.63Å; R154-D158 PolarHBondContact NE-OD2 3.28Å; R154-D158 IonicContact NH2-OD1 3.83Å; R154-D158 PolarHBondContact NH2-OD1 3.36Å; R154-D158 IonicContact NH2-OD2 2.78Å; R154-D158 PolarHBondContact NH2-OD2 3.26Å; D158-A160 VanDerWaalsContact C-N 3.28Å; D158-A160 PolarHBondContact O-N 3.06Å; D158-F161 PolarHBondContact O-N 2.98Å; D158-F161 VanDerWaalsContact O-N 3.13Å; D158-L162 VanDerWaalsContact O-CG 3.31Å; D158-L162 WeakPolarHBondContact O-CG 3.39Å; D158-L162 PolarHBondContact O-N 3.22Å; D158-L162 VanDerWaalsContact O-N 3.09Å |
| 159 | E | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 38.4 Ų | 38.4 | 34% | 0.341 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.3 | -35.1 | -178.6 | -167.5 | 63.7 | -161.8 | 0 | 0 | 113 | M147 V157 F161 L162 E163 R166 | M147-E159 HydrophobicContact CE-CB 3.61Å; M147-E159 HydrophobicContact CE-CG 3.61Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-E159 PolarHBondContact O-N 2.99Å; E159-F161 VanDerWaalsContact C-N 3.35Å; E159-F161 PolarHBondContact O-N 3.17Å; E159-L162 PolarHBondContact O-N 3.18Å; E159-E163 VanDerWaalsContact O-CB 3.31Å; E159-E163 WeakPolarHBondContact O-CB 3.49Å; E159-E163 PolarHBondContact O-N 3.31Å; E159-R166 IonicContact OE1-CZ 3.23Å; E159-R166 IonicContact OE1-NH1 3.94Å; E159-R166 PolarHBondContact OE1-NH1 3.42Å; E159-R166 IonicContact OE1-NH2 3.59Å; E159-R166 PolarHBondContact OE1-NH2 3.02Å; E159-R166 IonicContact OE2-NH2 3.58Å |
| 160 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L83 V118 M147 N156 V157 D158 V164 | L83-A160 HydrophobicContact CD2-CB 4.19Å; V118-A160 HydrophobicContact CG2-CB 4.11Å; M147-A160 HydrophobicContact CE-CB 4.29Å; M147-A160 WeakPolarHBondContact SD-CA 3.35Å; M147-A160 HydrophobicContact SD-CB 3.84Å; N156-A160 WeakPolarHBondContact O-CB 3.24Å; N156-A160 PolarHBondContact O-N 3.19Å; V157-A160 PolarHBondContact O-N 2.79Å; D158-A160 VanDerWaalsContact C-N 3.28Å; D158-A160 PolarHBondContact O-N 3.06Å; A160-V164 WeakPolarHBondContact O-CG2 3.28Å |
| 161 | F | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.6 | -38.4 | 176.8 | -68.8 | -87.1 | 0 | 0 | 0 | 111.7 | L10 V12 L23 F27 I59 L83 V157 D158 E159 E163 V164 V165 | L10-F161 HydrophobicContact CD1-CD1 4.16Å; V12-F161 HydrophobicContact CG2-CE1 4.03Å; V12-F161 HydrophobicContact CG2-CZ 4.43Å; L23-F161 HydrophobicContact CB-CE2 4.4Å; L23-F161 HydrophobicContact CB-CZ 4.47Å; F27-F161 HydrophobicContact CB-CD2 3.72Å; F27-F161 HydrophobicContact CB-CE2 3.54Å; F27-F161 HydrophobicContact CB-CZ 4.24Å; F27-F161 HydrophobicContact CD1-CB 4.09Å; F27-F161 AromaticContact CD1-CD1 3.96Å; F27-F161 HydrophobicContact CD1-CD1 3.96Å; F27-F161 AromaticContact CD1-CD2 3.61Å; F27-F161 HydrophobicContact CD1-CD2 3.61Å; F27-F161 HydrophobicContact CD1-CE1 4.3Å; F27-F161 AromaticContact CD1-CE2 4Å; F27-F161 HydrophobicContact CD1-CE2 4Å; F27-F161 AromaticContact CD1-CG 3.6Å; F27-F161 HydrophobicContact CD1-CG 3.6Å; F27-F161 HydrophobicContact CD1-CZ 4.33Å; F27-F161 HydrophobicContact CD2-CB 4.41Å; F27-F161 AromaticContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CD2 3.86Å; F27-F161 HydrophobicContact CD2-CG 4.33Å; F27-F161 HydrophobicContact CE1-CB 3.68Å; F27-F161 HydrophobicContact CE1-CD1 4.1Å; F27-F161 HydrophobicContact CE1-CD2 4.11Å; F27-F161 AromaticContact CE1-CG 3.7Å; F27-F161 HydrophobicContact CE1-CG 3.7Å; F27-F161 HydrophobicContact CE2-CB 4.05Å; F27-F161 HydrophobicContact CE2-CD2 4.35Å; F27-F161 HydrophobicContact CE2-CG 4.43Å; F27-F161 HydrophobicContact CG-CB 4.43Å; F27-F161 AromaticContact CG-CD2 3.45Å; F27-F161 HydrophobicContact CG-CD2 3.45Å; F27-F161 VanDerWaalsContact CG-CD2 3.45Å; F27-F161 AromaticContact CG-CE2 3.8Å; F27-F161 HydrophobicContact CG-CE2 3.8Å; F27-F161 AromaticContact CG-CG 3.93Å; F27-F161 HydrophobicContact CG-CG 3.93Å; F27-F161 HydrophobicContact CZ-CB 3.65Å; F27-F161 HydrophobicContact CZ-CD2 4.45Å; F27-F161 HydrophobicContact CZ-CG 4.12Å; I59-F161 HydrophobicContact CD1-CD1 4.05Å; I59-F161 HydrophobicContact CD1-CE1 4.08Å; I59-F161 HydrophobicContact CG2-CE1 4.04Å; L83-F161 HydrophobicContact CD1-CD1 3.97Å; L83-F161 HydrophobicContact CD1-CE1 4.07Å; L83-F161 HydrophobicContact CD2-CD1 3.96Å; L83-F161 HydrophobicContact CD2-CD2 4.4Å; L83-F161 HydrophobicContact CD2-CE1 3.86Å; L83-F161 HydrophobicContact CD2-CE2 4.29Å; L83-F161 HydrophobicContact CD2-CG 4.23Å; L83-F161 HydrophobicContact CD2-CZ 4.02Å; V157-F161 HydrophobicContact CG1-CE2 4.43Å; V157-F161 VanDerWaalsContact O-CD2 3.26Å; V157-F161 WeakPolarHBondContact O-CD2 3.33Å; D158-F161 PolarHBondContact O-N 2.98Å; D158-F161 VanDerWaalsContact O-N 3.13Å; E159-F161 VanDerWaalsContact C-N 3.35Å; E159-F161 PolarHBondContact O-N 3.17Å; F161-E163 VanDerWaalsContact C-N 3.35Å; F161-V164 PolarHBondContact O-N 3.25Å; F161-V165 PolarHBondContact O-N 2.87Å |
| 162 | L | 98.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 177.1 | -61 | 179.2 | 0 | 0 | 0 | 111.7 | V50 D158 E159 V164 V165 R166 | V50-L162 HydrophobicContact CB-CD2 4.2Å; V50-L162 HydrophobicContact CG1-CB 4.35Å; V50-L162 HydrophobicContact CG1-CD2 4.08Å; V50-L162 HydrophobicContact CG2-CD2 3.49Å; V50-L162 VanDerWaalsContact CG2-CD2 3.49Å; D158-L162 VanDerWaalsContact O-CG 3.31Å; D158-L162 WeakPolarHBondContact O-CG 3.39Å; D158-L162 PolarHBondContact O-N 3.22Å; D158-L162 VanDerWaalsContact O-N 3.09Å; E159-L162 PolarHBondContact O-N 3.18Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 3.03Å; L162-V165 WeakPolarHBondContact O-CB 3.31Å; L162-V165 PolarHBondContact O-N 3.35Å; L162-V165 VanDerWaalsContact O-N 3.1Å; L162-R166 PolarHBondContact O-N 3.45Å |
| 163 | E | 98.6 | Very high | 97 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -33.3 | -179.5 | -170.1 | 60 | -163.4 | 0 | 0 | 112.2 | V116 H145 E159 F161 V165 R166 A167 | V116-E163 HydrophobicContact CG2-CB 4.18Å; V116-E163 HydrophobicContact CG2-CG 3.97Å; H145-E163 HydrophobicContact CB-CG 4.05Å; H145-E163 IonicContact CG-OE1 2.7Å; H145-E163 IonicContact ND1-OE1 3.34Å; E159-E163 VanDerWaalsContact O-CB 3.31Å; E159-E163 WeakPolarHBondContact O-CB 3.49Å; E159-E163 PolarHBondContact O-N 3.31Å; F161-E163 VanDerWaalsContact C-N 3.35Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.3Å; E163-R166 PolarHBondContact O-N 2.75Å; E163-R166 IonicContact OE2-CZ 3.59Å; E163-R166 IonicContact OE2-NH1 2.72Å; E163-R166 PolarHBondContact OE2-NH1 3.03Å; E163-A167 PolarHBondContact O-N 3.09Å |
| 164 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | L10 L83 V116 A160 F161 L162 R166 A167 I168 | L10-V164 HydrophobicContact CD2-CB 4.42Å; L10-V164 HydrophobicContact CD2-CG1 3.65Å; L83-V164 HydrophobicContact CD1-CB 4.42Å; L83-V164 HydrophobicContact CD1-CG2 3.67Å; L83-V164 HydrophobicContact CG-CG2 3.7Å; V116-V164 HydrophobicContact CB-CG2 3.68Å; V116-V164 HydrophobicContact CG2-CB 4.24Å; V116-V164 HydrophobicContact CG2-CG2 3.41Å; V116-V164 VanDerWaalsContact CG2-CG2 3.41Å; A160-V164 WeakPolarHBondContact O-CG2 3.28Å; F161-V164 PolarHBondContact O-N 3.25Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 3.03Å; V164-R166 VanDerWaalsContact C-N 3.31Å; V164-R166 PolarHBondContact O-N 3.09Å; V164-A167 WeakPolarHBondContact O-CB 3.46Å; V164-A167 PolarHBondContact O-N 2.89Å; V164-I168 HydrophobicContact CG1-CD1 4.13Å; V164-I168 HydrophobicContact CG1-CG1 4.43Å; V164-I168 VanDerWaalsContact O-CG1 3.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.35Å; V164-I168 PolarHBondContact O-N 3.31Å |
| 165 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | F8 L10 V50 T55 L57 F161 L162 E163 A167 I168 R169 | F8-V165 HydrophobicContact CD2-CG1 3.78Å; F8-V165 HydrophobicContact CD2-CG2 4.28Å; F8-V165 HydrophobicContact CE2-CG1 3.6Å; L10-V165 HydrophobicContact CD1-CG2 4.4Å; V50-V165 HydrophobicContact CB-CG1 4.13Å; V50-V165 HydrophobicContact CG1-CB 4.13Å; V50-V165 HydrophobicContact CG1-CG1 3.88Å; V50-V165 HydrophobicContact CG2-CB 4.39Å; V50-V165 HydrophobicContact CG2-CG1 4.07Å; V50-V165 HydrophobicContact CG2-CG2 4.41Å; T55-V165 HydrophobicContact CG2-CG1 4.37Å; L57-V165 HydrophobicContact CD1-CG2 4.24Å; L57-V165 HydrophobicContact CD2-CG2 3.43Å; L57-V165 VanDerWaalsContact CD2-CG2 3.43Å; L57-V165 HydrophobicContact CG-CG2 4.49Å; F161-V165 PolarHBondContact O-N 2.87Å; L162-V165 WeakPolarHBondContact O-CB 3.31Å; L162-V165 PolarHBondContact O-N 3.35Å; L162-V165 VanDerWaalsContact O-N 3.1Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.3Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 3.27Å; V165-I168 PolarHBondContact O-N 3.26Å; V165-R169 WeakPolarHBondContact O-CG 3.14Å; V165-R169 PolarHBondContact O-N 2.93Å |
| 166 | R | 98.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.2 | -63.4 | -173.2 | -165 | 114.4 | -0.8 | 111.9 | V50 D51 E159 L162 E163 V164 I168 R169 K170 | V50-R166 HydrophobicContact CG1-CG 4.44Å; D51-R166 IonicContact OD1-CZ 3.5Å; D51-R166 IonicContact OD1-NE 3.9Å; D51-R166 PolarHBondContact OD1-NE 2.67Å; D51-R166 VanDerWaalsContact OD1-NE 3.1Å; D51-R166 IonicContact OD1-NH2 3.21Å; D51-R166 PolarHBondContact OD1-NH2 2.85Å; D51-R166 WeakPolarHBondContact OD2-CD 3.29Å; D51-R166 WeakPolarHBondContact OD2-CG 3.49Å; D51-R166 IonicContact OD2-NE 3.92Å; D51-R166 PolarHBondContact OD2-NE 3.18Å; D51-R166 VanDerWaalsContact OD2-NE 3.16Å; E159-R166 IonicContact OE1-CZ 3.23Å; E159-R166 IonicContact OE1-NH1 3.94Å; E159-R166 PolarHBondContact OE1-NH1 3.42Å; E159-R166 IonicContact OE1-NH2 3.59Å; E159-R166 PolarHBondContact OE1-NH2 3.02Å; E159-R166 IonicContact OE2-NH2 3.58Å; L162-R166 PolarHBondContact O-N 3.45Å; E163-R166 PolarHBondContact O-N 2.75Å; E163-R166 IonicContact OE2-CZ 3.59Å; E163-R166 IonicContact OE2-NH1 2.72Å; E163-R166 PolarHBondContact OE2-NH1 3.03Å; V164-R166 VanDerWaalsContact C-N 3.31Å; V164-R166 PolarHBondContact O-N 3.09Å; R166-I168 PolarHBondContact O-N 3.46Å; R166-R169 PolarHBondContact O-N 2.89Å; R166-K170 WeakPolarHBondContact O-CB 3.41Å; R166-K170 PolarHBondContact O-N 2.87Å |
| 167 | A | 98.2 | Very high | 94 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | P114 E163 V164 V165 F171 | P114-A167 HydrophobicContact CB-CB 4.13Å; E163-A167 PolarHBondContact O-N 3.09Å; V164-A167 WeakPolarHBondContact O-CB 3.46Å; V164-A167 PolarHBondContact O-N 2.89Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 3.27Å; A167-F171 WeakPolarHBondContact O-CB 3.43Å; A167-F171 PolarHBondContact O-N 2.88Å |
| 168 | I | 98 | Very high | 92.4 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 176.1 | -65 | 167.3 | 0 | 0 | 0 | 110.8 | F8 L10 E80 P114 V164 V165 R166 K170 F171 Q172 | F8-I168 HydrophobicContact CB-CD1 4.08Å; F8-I168 HydrophobicContact CD1-CB 4.43Å; F8-I168 HydrophobicContact CD1-CD1 4.27Å; F8-I168 HydrophobicContact CD1-CG2 3.6Å; F8-I168 HydrophobicContact CE1-CB 4.45Å; F8-I168 HydrophobicContact CE1-CG2 3.54Å; F8-I168 HydrophobicContact CG-CD1 4.22Å; F8-I168 HydrophobicContact CG-CG2 4.46Å; F8-I168 HydrophobicContact CZ-CG2 4.37Å; L10-I168 HydrophobicContact CD2-CD1 3.47Å; L10-I168 VanDerWaalsContact CD2-CD1 3.47Å; E80-I168 HydrophobicContact CB-CD1 4.08Å; E80-I168 WeakPolarHBondContact O-CG1 3.31Å; P114-I168 HydrophobicContact CB-CB 4.39Å; P114-I168 HydrophobicContact CB-CG1 3.64Å; P114-I168 HydrophobicContact CG-CB 4.46Å; P114-I168 HydrophobicContact CG-CG1 4.1Å; V164-I168 HydrophobicContact CG1-CD1 4.13Å; V164-I168 HydrophobicContact CG1-CG1 4.43Å; V164-I168 VanDerWaalsContact O-CG1 3.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.35Å; V164-I168 PolarHBondContact O-N 3.31Å; V165-I168 PolarHBondContact O-N 3.26Å; R166-I168 PolarHBondContact O-N 3.46Å; I168-K170 PolarHBondContact O-N 3.34Å; I168-F171 WeakPolarHBondContact O-CB 3.26Å; I168-F171 PolarHBondContact O-N 2.75Å; I168-Q172 HydrophobicContact CG2-CG 4.29Å; I168-Q172 WeakPolarHBondContact O-CG 3.33Å; I168-Q172 PolarHBondContact O-N 3.41Å |
| 169 | R | 96.6 | Very high | 91 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57 | -48.7 | 179.3 | -73.2 | 172.5 | 174.5 | 166.5 | -0.2 | 111.4 | E6 F8 V50 D51 T55 V165 R166 F171 Q172 E173 | E6-R169 IonicContact OE1-CZ 3.36Å; E6-R169 IonicContact OE1-NE 3.16Å; E6-R169 PolarHBondContact OE1-NE 3.34Å; E6-R169 IonicContact OE1-NH2 3.53Å; E6-R169 IonicContact OE2-CZ 3.68Å; E6-R169 IonicContact OE2-NE 3.54Å; E6-R169 IonicContact OE2-NH2 3.1Å; E6-R169 PolarHBondContact OE2-NH2 3.34Å; F8-R169 HydrophobicContact CE2-CG 4.44Å; F8-R169 HydrophobicContact CZ-CG 4.01Å; V50-R169 PolarHBondContact O-NH1 2.79Å; V50-R169 PolarHBondContact O-NH2 3.09Å; D51-R169 IonicContact OD2-NH1 3.01Å; T55-R169 PolarHBondContact OG1-NH2 3.1Å; T55-R169 VanDerWaalsContact OG1-NH2 3.13Å; V165-R169 WeakPolarHBondContact O-CG 3.14Å; V165-R169 PolarHBondContact O-N 2.93Å; R166-R169 PolarHBondContact O-N 2.89Å; R169-F171 VanDerWaalsContact C-N 3.3Å; R169-F171 PolarHBondContact O-N 3.22Å; R169-Q172 PolarHBondContact O-N 3.4Å; R169-E173 WeakPolarHBondContact O-CG 3.06Å; R169-E173 PolarHBondContact O-N 3.12Å |
| 170 | K | 95.8 | Very high | 89.5 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 177.5 | -176.9 | -178.7 | 177.8 | -174.7 | 0 | 112.1 | R166 I168 E173 T174 | R166-K170 WeakPolarHBondContact O-CB 3.41Å; R166-K170 PolarHBondContact O-N 2.87Å; I168-K170 PolarHBondContact O-N 3.34Å; K170-E173 PolarHBondContact O-N 2.73Å; K170-T174 PolarHBondContact O-N 3.35Å; K170-T174 PolarHBondContact O-OG1 3.06Å |
| 171 | F | 95.4 | Very high | 87.9 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 178.1 | -179.3 | -95.2 | 0 | 0 | 0 | 112.2 | R110 F113 P114 A167 I168 R169 E173 T174 E175 | R110-F171 VanDerWaalsContact CZ-CZ 3.42Å; R110-F171 VanDerWaalsContact NH2-CE2 3.35Å; F113-F171 HydrophobicContact CD2-CE1 4.24Å; F113-F171 HydrophobicContact CD2-CE2 4.38Å; F113-F171 AromaticContact CD2-CZ 3.8Å; F113-F171 HydrophobicContact CD2-CZ 3.8Å; F113-F171 AromaticContact CE2-CE1 3.98Å; F113-F171 HydrophobicContact CE2-CE1 3.98Å; F113-F171 AromaticContact CE2-CZ 3.98Å; F113-F171 HydrophobicContact CE2-CZ 3.98Å; P114-F171 HydrophobicContact CG-CB 3.5Å; P114-F171 VanDerWaalsContact CG-CB 3.5Å; P114-F171 HydrophobicContact CG-CD1 3.91Å; P114-F171 HydrophobicContact CG-CD2 4.19Å; P114-F171 HydrophobicContact CG-CG 3.63Å; A167-F171 WeakPolarHBondContact O-CB 3.43Å; A167-F171 PolarHBondContact O-N 2.88Å; I168-F171 WeakPolarHBondContact O-CB 3.26Å; I168-F171 PolarHBondContact O-N 2.75Å; R169-F171 VanDerWaalsContact C-N 3.3Å; R169-F171 PolarHBondContact O-N 3.22Å; F171-E173 VanDerWaalsContact C-N 3.34Å; F171-E173 PolarHBondContact O-N 3.45Å; F171-T174 WeakPolarHBondContact CA-OG1 3.34Å; F171-T174 PolarHBondContact O-N 3.29Å; F171-T174 PolarHBondContact O-OG1 3.32Å; F171-E175 HydrophobicContact CD1-CG 4.28Å; F171-E175 HydrophobicContact CE1-CG 4.06Å; F171-E175 HydrophobicContact CZ-CG 4.41Å; F171-E175 WeakPolarHBondContact O-CG 3.38Å; F171-E175 PolarHBondContact O-N 2.89Å; F171-E175 VanDerWaalsContact O-N 3.11Å |
| 172 | Q | 93.9 | Very high | 85.6 | Confident | 87 Ų | 87 | 76 Ų | 76 | 41% | 0.407 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.4 | -70.9 | 176.3 | -11.7 | 0 | 0 | 112.1 | I168 R169 T174 E175 S176 | I168-Q172 HydrophobicContact CG2-CG 4.29Å; I168-Q172 WeakPolarHBondContact O-CG 3.33Å; I168-Q172 PolarHBondContact O-N 3.41Å; R169-Q172 PolarHBondContact O-N 3.4Å; Q172-T174 VanDerWaalsContact C-N 3.31Å; Q172-T174 PolarHBondContact O-N 3.03Å; Q172-E175 PolarHBondContact O-N 3.22Å; Q172-S176 PolarHBondContact O-N 2.71Å |
| 173 | E | 91.4 | Very high | 83.6 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.8 | -37 | 174.4 | -73.2 | 172.5 | -173.9 | 0 | 0 | 112.5 | R169 K170 F171 S176 P177 | R169-E173 WeakPolarHBondContact O-CG 3.06Å; R169-E173 PolarHBondContact O-N 3.12Å; K170-E173 PolarHBondContact O-N 2.73Å; F171-E173 VanDerWaalsContact C-N 3.34Å; F171-E173 PolarHBondContact O-N 3.45Å; E173-S176 CarbonylContact O-C 3.44Å; E173-P177 WeakPolarHBondContact O-CA 3.07Å |
| 174 | T | 88.6 | Confident | 81.4 | Confident | 93 Ų | 93 | 87.8 Ų | 87.8 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.3 | -32.3 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | K170 F171 Q172 | K170-T174 PolarHBondContact O-N 3.35Å; K170-T174 PolarHBondContact O-OG1 3.06Å; F171-T174 WeakPolarHBondContact CA-OG1 3.34Å; F171-T174 PolarHBondContact O-N 3.29Å; F171-T174 PolarHBondContact O-OG1 3.32Å; Q172-T174 VanDerWaalsContact C-N 3.31Å; Q172-T174 PolarHBondContact O-N 3.03Å |
| 175 | E | 84.9 | Confident | 79 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -79.2 | -25.8 | 179 | -69.2 | -72.1 | 109.8 | 0 | 0 | 112.9 | R110 F171 Q172 | R110-E175 IonicContact CZ-OE1 2.6Å; R110-E175 IonicContact CZ-OE2 3.65Å; R110-E175 IonicContact NH1-OE1 2.69Å; R110-E175 IonicContact NH1-OE2 3.92Å; R110-E175 PolarHBondContact NH1-OE2 3.23Å; R110-E175 IonicContact NH2-OE1 3.02Å; R110-E175 PolarHBondContact NH2-OE1 3.06Å; R110-E175 IonicContact NH2-OE2 3.81Å; R110-E175 PolarHBondContact NH2-OE2 3.35Å; F171-E175 HydrophobicContact CD1-CG 4.28Å; F171-E175 HydrophobicContact CE1-CG 4.06Å; F171-E175 HydrophobicContact CZ-CG 4.41Å; F171-E175 WeakPolarHBondContact O-CG 3.38Å; F171-E175 PolarHBondContact O-N 2.89Å; F171-E175 VanDerWaalsContact O-N 3.11Å; Q172-E175 PolarHBondContact O-N 3.22Å |
| 176 | S | 79 | Confident | 76.7 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 66% | 0.664 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -142.1 | 71.6 | -178.3 | -69.5 | 0 | 0 | 0 | 0 | 110 | Q172 E173 | Q172-S176 PolarHBondContact O-N 2.71Å; E173-S176 CarbonylContact O-C 3.44Å |
| 177 | P | 69.1 | Low | 74.3 | Confident | 95 Ų | 95 | 109.6 Ų | 109.6 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 135 | -178.6 | 22.5 | -31.9 | 0 | 0 | 0 | 109.9 | E173 L179 | E173-P177 WeakPolarHBondContact O-CA 3.07Å; P177-L179 PolarHBondContact O-N 3.23Å |
| 178 | P | 65.7 | Low | 72 | Confident | 112 Ų | 112 | 118.1 Ų | 118.1 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.9 | 176.6 | 21.8 | -30.1 | 0 | 0 | 0 | 109.6 | ||
| 179 | L | 66.6 | Low | 69.7 | Low | 161 Ų | 161 | 124 Ų | 124 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 135.4 | 175.6 | -71.5 | 167.4 | 0 | 0 | 0 | 109.1 | P177 A181 | P177-L179 PolarHBondContact O-N 3.23Å; L179-A181 PolarHBondContact O-N 3.41Å; L179-A181 VanDerWaalsContact O-N 3.16Å |
| 180 | P | 67.9 | Low | 67.1 | Low | 116 Ų | 116 | 125.5 Ų | 125.5 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.7 | 179.8 | 19.8 | -29.9 | 0 | 0 | 0 | 109 | N182 | P180-N182 PolarHBondContact O-N 3.21Š|
| 181 | A | 65 | Low | 64.3 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L179 H183 | L179-A181 PolarHBondContact O-N 3.41Å; L179-A181 VanDerWaalsContact O-N 3.16Å; A181-H183 PolarHBondContact O-N 2.99Å |
| 182 | N | 49.8 | Very low | 61.7 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -54.8 | 102.7 | 174.6 | -102.5 | -19.8 | 0 | 0 | 0 | 108 | P180 T184 | P180-N182 PolarHBondContact O-N 3.21Å; N182-T184 PolarHBondContact O-N 3.08Å | ||
| 183 | H | 55.7 | Low | 59.9 | Low | 186 Ų | 186 | 128.2 Ų | 128.2 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 96.8 | 161.7 | -85.7 | -67.6 | 0 | 0 | 0 | 106.1 | A181 G185 | A181-H183 PolarHBondContact O-N 2.99Å; H183-G185 PolarHBondContact O-N 2.93Å | ||
| 184 | T | 52.4 | Low | 57.5 | Low | 129 Ų | 129 | 127.9 Ų | 127.9 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -56.9 | 105.6 | 170.7 | 40.4 | 0 | 0 | 0 | 0 | 107.1 | N182 K186 | N182-T184 PolarHBondContact O-N 3.08Å; T184-K186 PolarHBondContact O-N 3.49Å | ||
| 185 | G | 48.4 | Very low | 55.5 | Low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -55.7 | 111.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | H183 R187 | H183-G185 PolarHBondContact O-N 2.93Å; G185-R187 PolarHBondContact O-N 2.88Å | ||
| 186 | K | 49.2 | Very low | 53.5 | Low | 205 Ų | 205 | 132.9 Ų | 132.9 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 93.4 | 159.6 | -89.1 | -177.6 | 174.6 | 175.8 | 0 | 107.1 | T184 K188 | T184-K186 PolarHBondContact O-N 3.49Å; K186-K188 PolarHBondContact O-N 2.72Å | ||
| 187 | R | 49.1 | Very low | 51.9 | Low | 244 Ų | 244 | 139.7 Ų | 139.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -53.5 | 102.8 | 161.1 | -91.7 | 175 | 142.1 | 173.3 | -6 | 107.5 | G185 S189 | G185-R187 PolarHBondContact O-N 2.88Å; R187-S189 PolarHBondContact O-N 2.91Å | ||
| 188 | K | 48.5 | Very low | 51.1 | Low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -72 | 106.8 | 163 | -81.7 | -175.3 | 174.2 | -179.5 | 0 | 107.2 | K186 G190 | K186-K188 PolarHBondContact O-N 2.72Å; K188-G190 PolarHBondContact O-N 3.25Å | ||
| 189 | S | 51.2 | Low | 50.3 | Low | 126 Ų | 126 | 143.5 Ų | 143.5 | 88% | 0.881 | 84% | 0.84 | S | S | * | * | trans | -71.6 | 99.2 | 162.6 | 50.2 | 0 | 0 | 0 | 0 | 108.6 | R187 | R187-S189 PolarHBondContact O-N 2.91Š| ||
| 190 | G | 41.6 | Very low | 49.4 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | trans | -128.7 | 115.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | K188 | K188-G190 PolarHBondContact O-N 3.25Š| ||
| 191 | G | 37.8 | Very low | 48.3 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | trans | -69.2 | 157.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 192 | C | 39.5 | Very low | 47.3 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 83% | 0.831 | 85% | 0.853 | S | S | * | * | trans | -38.5 | 167.5 | 161.9 | -86 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 193 | P | 56.3 | Low | 47.1 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 86% | 0.855 | S | S | * | * | cis | -141.1 | 163.9 | 30.8 | 34.3 | -11.8 | 0 | 0 | 0 | 118.7 | ||||
| 194 | C | 42.1 | Very low | 46.5 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | trans | -54.5 | 142.7 | 166.3 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 195 | T | 45.6 | Very low | 46 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 82% | 0.816 | 86% | 0.859 | S | S | * | * | trans | -127.7 | 114.3 | 151.3 | -44.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 196 | L | 42.8 | Very low | 45.8 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 85% | 0.853 | 87% | 0.871 | S | S | * | * | trans | -83.3 | 122.5 | 164.3 | -90.2 | 152.5 | 0 | 0 | 0 | 107.3 | ||||
| 197 | L | 46.2 | Very low | 45.5 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 100% | 1.251 | 87% | 0.869 | S | S | * | * | trans | -144.8 | 0 | 148.7 | -83.9 | 177.3 | 0 | 0 | 0 | 107.9 |
Retrieved 197 of 197 residues in 1108 ms
(Link to these results)