| 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 | 42.8 | Very low | 81.6 | Confident | 234 Ų | 234 | 72.5 Ų | 72.5 | 100% | 1.153 | 38% | 0.382 | S | S | * | . | 0 | 115.7 | 0 | -72.1 | 164.7 | 119.5 | 0 | 0 | 105.2 | T3 | M1-T3 PolarHBondContact O-N 2.88Š| |||
| 2 | S | 45.3 | Very low | 82.9 | Confident | 111 Ų | 111 | 68 Ų | 68 | 78% | 0.776 | 36% | 0.36 | S | S | * | . | trans | -55.8 | 116.3 | 171.2 | 40.6 | 0 | 0 | 0 | 0 | 106.6 | E4 | S2-E4 PolarHBondContact O-N 3.07Š| ||
| 3 | T | 58.2 | Low | 84 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 74% | 0.736 | 34% | 0.335 | S | S | * | . | trans | -61.7 | 94.9 | 166.1 | 38.1 | 0 | 0 | 0 | 0 | 105.6 | M1 D5 | M1-T3 PolarHBondContact O-N 2.88Å; T3-D5 PolarHBondContact O-N 3.11Å; T3-D5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | E | 71.3 | Confident | 84.7 | Confident | 115 Ų | 115 | 62.5 Ų | 62.5 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | trans | -54.2 | 120.1 | 170.7 | -74.3 | 172.6 | 175.9 | 0 | 0 | 107.7 | S2 F6 K62 | S2-E4 PolarHBondContact O-N 3.07Å; E4-F6 PolarHBondContact O-N 3.06Å; E4-K62 PolarHBondContact O-NZ 3Å; E4-K62 IonicContact OE2-NZ 3.93Å | ||
| 5 | D | 89 | Confident | 85 | Confident | 105 Ų | 105 | 69.4 Ų | 69.4 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | trans | -53 | 128.6 | -179.4 | -79.3 | -18.8 | 0 | 0 | 0 | 108.9 | T3 G94 | T3-D5 PolarHBondContact O-N 3.11Å; T3-D5 VanDerWaalsContact O-N 3.11Å; D5-G94 PolarHBondContact O-N 3.3Å | ||
| 6 | F | 96.9 | Very high | 84.9 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.4 | -177.1 | -178 | -107.9 | 0 | 0 | 0 | 110.7 | E4 L8 P29 M58 L61 K62 I65 V92 I93 | E4-F6 PolarHBondContact O-N 3.06Å; F6-L8 HydrophobicContact CZ-CB 4.2Å; F6-P29 VanDerWaalsContact O-CA 3.29Å; F6-P29 WeakPolarHBondContact O-CA 3.5Å; F6-P29 WeakPolarHBondContact O-CG 3.15Å; F6-M58 HydrophobicContact CD1-CE 3.6Å; F6-M58 HydrophobicContact CE1-CE 4.09Å; F6-L61 HydrophobicContact CE1-CB 4.31Å; F6-L61 HydrophobicContact CE1-CD2 3.53Å; F6-L61 HydrophobicContact CE1-CG 4.1Å; F6-L61 HydrophobicContact CZ-CB 4.2Å; F6-L61 HydrophobicContact CZ-CD2 3.64Å; F6-L61 HydrophobicContact CZ-CG 3.79Å; F6-K62 HydrophobicContact CD1-CG 4.39Å; F6-K62 HydrophobicContact CD2-CD 4.2Å; F6-K62 HydrophobicContact CD2-CG 3.54Å; F6-K62 HydrophobicContact CE1-CG 4.44Å; F6-K62 HydrophobicContact CE2-CG 3.6Å; F6-K62 HydrophobicContact CG-CD 4.32Å; F6-K62 HydrophobicContact CG-CG 3.94Å; F6-K62 HydrophobicContact CZ-CG 4.06Å; F6-I65 HydrophobicContact CE2-CD1 3.57Å; F6-I65 HydrophobicContact CZ-CD1 3.6Å; F6-V92 WeakPolarHBondContact CA-O 3.49Å; F6-V92 WeakPolarHBondContact CD2-O 3.23Å; F6-I93 HydrophobicContact CD2-CG1 3.75Å; F6-I93 HydrophobicContact CE2-CD1 4.28Å; F6-I93 HydrophobicContact CE2-CG1 3.85Å |
| 7 | Y | 98.4 | Very high | 84.7 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.2 | 177.3 | 178.5 | -102.9 | 0 | 0 | 0 | 109.1 | R9 E26 F27 E90 I91 V92 | Y7-R9 HydrophobicContact CE1-CB 3.8Å; Y7-R9 WeakPolarHBondContact OH-CB 3.49Å; Y7-R9 WeakPolarHBondContact OH-CD 3.34Å; Y7-E26 HydrophobicContact CE2-CG 3.64Å; Y7-E26 WeakPolarHBondContact CE2-OE1 3.38Å; Y7-E26 PolarHBondContact OH-OE1 3.19Å; Y7-F27 WeakPolarHBondContact CD2-O 3.41Å; Y7-E90 HydrophobicContact CD1-CG 4.3Å; Y7-E90 HydrophobicContact CE1-CB 4.39Å; Y7-E90 HydrophobicContact CE1-CG 3.99Å; Y7-I91 CarbonylContact O-C 3.57Å; Y7-I91 WeakPolarHBondContact O-CA 3.4Å; Y7-V92 HydrophobicContact CD1-CG2 4.37Å; Y7-V92 PolarHBondContact N-O 2.83Å; Y7-V92 PolarHBondContact O-N 2.82Å |
| 8 | L | 98.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.5 | 169.5 | -179.9 | 146.4 | 0 | 0 | 0 | 109.4 | F6 F25 E26 F27 L61 I65 E90 I91 L130 | F6-L8 HydrophobicContact CZ-CB 4.2Å; L8-F25 HydrophobicContact CD2-CD2 4.11Å; L8-F25 HydrophobicContact CD2-CE2 3.79Å; L8-E26 CarbonylContact O-C 3.6Å; L8-E26 VanDerWaalsContact O-CA 3.29Å; L8-E26 WeakPolarHBondContact O-CA 3.43Å; L8-F27 HydrophobicContact CB-CB 4.49Å; L8-F27 HydrophobicContact CD2-CD2 4.04Å; L8-F27 PolarHBondContact N-O 2.94Å; L8-F27 VanDerWaalsContact N-O 3.1Å; L8-F27 PolarHBondContact O-N 3.28Å; L8-L61 HydrophobicContact CB-CD2 4.37Å; L8-L61 HydrophobicContact CD1-CD1 4.48Å; L8-L61 HydrophobicContact CD1-CD2 4.36Å; L8-L61 HydrophobicContact CD1-CG 4.44Å; L8-I65 HydrophobicContact CD1-CD1 3.57Å; L8-I65 HydrophobicContact CD1-CG1 4.18Å; L8-E90 CarbonylContact C-O 3.6Å; L8-E90 WeakPolarHBondContact CA-O 3.39Å; L8-I91 HydrophobicContact CD1-CD1 4.09Å; L8-I91 HydrophobicContact CD1-CG1 4.06Å; L8-I91 HydrophobicContact CG-CG1 4.19Å; L8-L130 HydrophobicContact CD1-CD1 3.97Å; L8-L130 HydrophobicContact CD1-CD2 3.74Å |
| 9 | R | 98.9 | Very high | 84.4 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.6 | 168.2 | -174.6 | -176.4 | 66.7 | 86 | 5.1 | 109.9 | Y7 E24 F25 E26 E88 L89 E90 | Y7-R9 HydrophobicContact CE1-CB 3.8Å; Y7-R9 WeakPolarHBondContact OH-CB 3.49Å; Y7-R9 WeakPolarHBondContact OH-CD 3.34Å; R9-E24 IonicContact NH1-OE1 3.7Å; R9-E24 PolarHBondContact NH1-OE1 3.04Å; R9-F25 WeakPolarHBondContact CA-O 3.33Å; R9-E26 HydrophobicContact CG-CB 4.36Å; R9-E88 IonicContact CZ-OE2 3.47Å; R9-E88 IonicContact NH1-OE2 3Å; R9-E88 PolarHBondContact NH1-OE2 3.38Å; R9-E88 IonicContact NH2-OE2 3.54Å; R9-E88 PolarHBondContact NH2-OE2 3.33Å; R9-L89 WeakPolarHBondContact O-CA 3.4Å; R9-E90 HydrophobicContact CB-CB 4.46Å; R9-E90 IonicContact CZ-OE2 3.4Å; R9-E90 PolarHBondContact N-O 2.99Å; R9-E90 IonicContact NE-OE2 3.07Å; R9-E90 PolarHBondContact NE-OE2 2.93Å; R9-E90 IonicContact NH2-OE2 2.87Å; R9-E90 PolarHBondContact NH2-OE2 2.88Å; R9-E90 PolarHBondContact O-N 3.42Å |
| 10 | Y | 98.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.5 | 171.5 | 172.8 | -94.9 | 0 | 0 | 0 | 110.1 | V12 E24 F25 Q87 E88 L89 F123 V127 K131 | Y10-V12 HydrophobicContact CE1-CB 4Å; Y10-V12 HydrophobicContact CE1-CG1 3.68Å; Y10-V12 WeakPolarHBondContact OH-CB 3.33Å; Y10-E24 VanDerWaalsContact O-CA 3.3Å; Y10-E24 WeakPolarHBondContact O-CA 3.29Å; Y10-F25 HydrophobicContact CD1-CD1 4.16Å; Y10-F25 AromaticContact CD1-CE1 3.42Å; Y10-F25 HydrophobicContact CD1-CE1 3.42Å; Y10-F25 VanDerWaalsContact CD1-CE1 3.42Å; Y10-F25 HydrophobicContact CD1-CE2 4.42Å; Y10-F25 AromaticContact CD1-CZ 3.58Å; Y10-F25 HydrophobicContact CD1-CZ 3.58Å; Y10-F25 HydrophobicContact CE1-CE1 4.24Å; Y10-F25 HydrophobicContact CG-CE1 4.12Å; Y10-F25 HydrophobicContact CG-CE2 4.34Å; Y10-F25 AromaticContact CG-CZ 3.81Å; Y10-F25 HydrophobicContact CG-CZ 3.81Å; Y10-F25 PolarHBondContact N-O 3.5Å; Y10-F25 PolarHBondContact O-N 3.31Å; Y10-Q87 PolarHBondContact OH-NE2 3.14Å; Y10-E88 WeakPolarHBondContact CA-O 3.3Å; Y10-E88 WeakPolarHBondContact CD2-O 3.26Å; Y10-L89 HydrophobicContact CD2-CD1 4.29Å; Y10-F123 HydrophobicContact CE2-CZ 4.47Å; Y10-V127 HydrophobicContact CD2-CG1 4.38Å; Y10-V127 HydrophobicContact CD2-CG2 3.91Å; Y10-V127 HydrophobicContact CE1-CG1 4.25Å; Y10-V127 HydrophobicContact CE2-CB 4.15Å; Y10-V127 HydrophobicContact CE2-CG1 3.52Å; Y10-V127 HydrophobicContact CE2-CG2 3.46Å; Y10-V127 VanDerWaalsContact CE2-CG2 3.46Å; Y10-V127 VanDerWaalsContact CZ-CG1 3.43Å; Y10-V127 WeakPolarHBondContact OH-CG1 3.45Å; Y10-K131 WeakPolarHBondContact OH-CE 3.44Å; Y10-K131 PolarHBondContact OH-NZ 2.93Å |
| 11 | Y | 98.6 | Very high | 85.2 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.2 | 176.3 | 173.1 | -89.1 | 0 | 0 | 0 | 110.2 | H20 F22 E24 R86 Q87 E88 | Y11-H20 PolarHBondContact OH-CE1 3Å; Y11-H20 PolarHBondContact OH-NE2 3.21Å; Y11-F22 HydrophobicContact CD2-CD2 4.38Å; Y11-F22 HydrophobicContact CE2-CB 3.64Å; Y11-F22 AromaticContact CE2-CD2 3.86Å; Y11-F22 HydrophobicContact CE2-CD2 3.86Å; Y11-F22 AromaticContact CE2-CG 3.88Å; Y11-F22 HydrophobicContact CE2-CG 3.88Å; Y11-E24 HydrophobicContact CD2-CB 4.08Å; Y11-E24 HydrophobicContact CD2-CG 4.3Å; Y11-R86 HydrophobicContact CE1-CB 4.46Å; Y11-Q87 CarbonylContact O-C 3.49Å; Y11-Q87 VanDerWaalsContact O-CA 3.28Å; Y11-Q87 WeakPolarHBondContact O-CA 3.27Å; Y11-E88 HydrophobicContact CD1-CG 4.13Å; Y11-E88 PolarHBondContact N-O 3.21Å; Y11-E88 PolarHBondContact O-N 3.38Å |
| 12 | V | 98.1 | Very high | 87.7 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 133.2 | 162.2 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | Y10 F22 L23 R86 Q87 K104 | Y10-V12 HydrophobicContact CE1-CB 4Å; Y10-V12 HydrophobicContact CE1-CG1 3.68Å; Y10-V12 WeakPolarHBondContact OH-CB 3.33Å; V12-F22 CarbonylContact O-C 3.56Å; V12-F22 WeakPolarHBondContact O-CA 3.33Å; V12-F22 WeakPolarHBondContact O-CB 3.33Å; V12-L23 HydrophobicContact CG1-CB 3.93Å; V12-L23 HydrophobicContact CG1-CD2 4.42Å; V12-L23 PolarHBondContact N-O 2.96Å; V12-L23 PolarHBondContact O-N 3.36Å; V12-R86 WeakPolarHBondContact CA-O 3.27Å; V12-Q87 HydrophobicContact CB-CG 4.04Å; V12-Q87 HydrophobicContact CG2-CG 3.7Å; V12-K104 HydrophobicContact CG2-CG 4.49Å |
| 13 | G | 96.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E21 G85 R86 | G13-E21 CarbonylContact C-O 3.59Å; G13-E21 WeakPolarHBondContact CA-O 3.33Å; G13-G85 CarbonylContact O-C 3.56Å; G13-G85 VanDerWaalsContact O-CA 3.27Å; G13-G85 WeakPolarHBondContact O-CA 3.48Å; G13-R86 PolarHBondContact N-O 3.11Å; G13-R86 PolarHBondContact O-N 2.88Å |
| 14 | H | 94.3 | Very high | 92 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 26% | 0.255 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 154.2 | 176.1 | 71.4 | -62.6 | 0 | 0 | 0 | 110 | H20 E21 V84 | H14-H20 PolarHBondContact O-CD2 3.36Å; H14-E21 IonicContact CE1-OE2 3.42Å; H14-E21 PolarHBondContact CE1-OE2 2.94Å; H14-E21 PolarHBondContact N-O 3.22Å; H14-E21 IonicContact NE2-OE2 3.71Å; H14-E21 PolarHBondContact O-N 3.05Å; H14-V84 VanDerWaalsContact CB-O 3.22Å; H14-V84 WeakPolarHBondContact CB-O 3.1Å |
| 15 | K | 89.3 | Confident | 93.4 | Very high | 166 Ų | 166 | 52 Ų | 52 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101 | 173.7 | -71.3 | -176.7 | -179.8 | 178 | 0 | 108.6 | H20 | K15-H20 HydrophobicContact CG-CB 4.07Å |
| 16 | G | 83.7 | Confident | 93.8 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -171.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | F18 G19 | G16-F18 PolarHBondContact O-N 3.25Å; G16-F18 VanDerWaalsContact O-N 3.14Å; G16-G19 PolarHBondContact N-O 3.46Å; G16-G19 PolarHBondContact O-N 2.89Å; G16-G19 VanDerWaalsContact O-N 3.11Å |
| 17 | K | 80.9 | Confident | 93.9 | Very high | 195 Ų | 195 | 48 Ų | 48 | 85% | 0.848 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.4 | 175.5 | -176 | 178.4 | 177.9 | -178.4 | 0 | 112.9 | ||
| 18 | F | 78 | Confident | 93.9 | Very high | 148 Ų | 148 | 50.7 Ų | 50.7 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 16.8 | -176.7 | -54.8 | -70.4 | 0 | 0 | 0 | 112.8 | G16 N40 | G16-F18 PolarHBondContact O-N 3.25Å; G16-F18 VanDerWaalsContact O-N 3.14Å; F18-N40 HydrophobicContact CB-CB 4.19Å; F18-N40 WeakPolarHBondContact O-CB 3.15Å; F18-N40 VanDerWaalsContact O-CG 3.23Å; F18-N40 PolarHBondContact O-ND2 3Å |
| 19 | G | 86.6 | Confident | 93.8 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.7 | -155.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | G16 | G16-G19 PolarHBondContact N-O 3.46Å; G16-G19 PolarHBondContact O-N 2.89Å; G16-G19 VanDerWaalsContact O-N 3.11Å |
| 20 | H | 91 | Very high | 93.6 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.1 | -175.5 | -172.4 | -165.2 | 0 | 0 | 0 | 110.6 | Y11 H14 K15 F22 N38 N40 | Y11-H20 PolarHBondContact OH-CE1 3Å; Y11-H20 PolarHBondContact OH-NE2 3.21Å; H14-H20 PolarHBondContact O-CD2 3.36Å; K15-H20 HydrophobicContact CG-CB 4.07Å; H20-F22 AromaticContact CE1-CD1 3.98Å; H20-N38 PolarHBondContact O-ND2 3.41Å; H20-N40 PolarHBondContact O-ND2 2.95Å |
| 21 | E | 93.2 | Very high | 93.6 | Very high | 44 Ų | 44 | 57 Ų | 57 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.7 | 175.1 | -62.7 | -172.5 | 111.9 | 0 | 0 | 109.5 | G13 H14 N38 N40 | G13-E21 CarbonylContact C-O 3.59Å; G13-E21 WeakPolarHBondContact CA-O 3.33Å; H14-E21 IonicContact CE1-OE2 3.42Å; H14-E21 PolarHBondContact CE1-OE2 2.94Å; H14-E21 PolarHBondContact N-O 3.22Å; H14-E21 IonicContact NE2-OE2 3.71Å; H14-E21 PolarHBondContact O-N 3.05Å; E21-N38 CarbonylContact C-O 3.59Å; E21-N38 VanDerWaalsContact CA-O 3.23Å; E21-N38 WeakPolarHBondContact CA-O 3.45Å; E21-N40 HydrophobicContact CG-CB 4.34Å; E21-N40 PolarHBondContact OE1-N 2.94Å |
| 22 | F | 95.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 159.1 | -177.6 | 73.6 | -89.7 | 0 | 0 | 0 | 113.2 | Y11 V12 H20 E24 A36 N37 N38 M46 | Y11-F22 HydrophobicContact CD2-CD2 4.38Å; Y11-F22 HydrophobicContact CE2-CB 3.64Å; Y11-F22 AromaticContact CE2-CD2 3.86Å; Y11-F22 HydrophobicContact CE2-CD2 3.86Å; Y11-F22 AromaticContact CE2-CG 3.88Å; Y11-F22 HydrophobicContact CE2-CG 3.88Å; V12-F22 CarbonylContact O-C 3.56Å; V12-F22 WeakPolarHBondContact O-CA 3.33Å; V12-F22 WeakPolarHBondContact O-CB 3.33Å; H20-F22 AromaticContact CE1-CD1 3.98Å; F22-E24 HydrophobicContact CD2-CB 4.13Å; F22-E24 HydrophobicContact CE2-CB 4.22Å; F22-A36 HydrophobicContact CE2-CB 3.95Å; F22-N37 WeakPolarHBondContact O-CA 3.46Å; F22-N37 PolarHBondContact O-OD1 3.32Å; F22-N38 HydrophobicContact CD1-CB 3.66Å; F22-N38 HydrophobicContact CE1-CB 3.42Å; F22-N38 VanDerWaalsContact CE1-CB 3.42Å; F22-N38 HydrophobicContact CG-CB 4.4Å; F22-N38 HydrophobicContact CZ-CB 3.98Å; F22-N38 PolarHBondContact N-O 3.08Å; F22-N38 PolarHBondContact O-N 3.06Å; F22-M46 HydrophobicContact CE1-CE 3.89Å; F22-M46 HydrophobicContact CZ-CE 3.97Å |
| 23 | L | 96.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.5 | 167 | 168.1 | 68.6 | 0 | 0 | 0 | 107.4 | V12 Y35 A36 N37 F135 | V12-L23 HydrophobicContact CG1-CB 3.93Å; V12-L23 HydrophobicContact CG1-CD2 4.42Å; V12-L23 PolarHBondContact N-O 2.96Å; V12-L23 PolarHBondContact O-N 3.36Å; L23-Y35 HydrophobicContact CD1-CD2 4.12Å; L23-Y35 HydrophobicContact CD1-CE2 3.34Å; L23-A36 CarbonylContact C-O 3.52Å; L23-A36 WeakPolarHBondContact CA-O 3.39Å; L23-N37 HydrophobicContact CD1-CB 4.13Å; L23-F135 HydrophobicContact CD1-CE1 4.26Å; L23-F135 HydrophobicContact CD2-CE1 3.83Å; L23-F135 HydrophobicContact CD2-CZ 3.68Å |
| 24 | E | 98.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.5 | 175.7 | -173.5 | 169.5 | -133.7 | 0 | 0 | 110.2 | R9 Y10 Y11 F22 A36 | R9-E24 IonicContact NH1-OE1 3.7Å; R9-E24 PolarHBondContact NH1-OE1 3.04Å; Y10-E24 VanDerWaalsContact O-CA 3.3Å; Y10-E24 WeakPolarHBondContact O-CA 3.29Å; Y11-E24 HydrophobicContact CD2-CB 4.08Å; Y11-E24 HydrophobicContact CD2-CG 4.3Å; F22-E24 HydrophobicContact CD2-CB 4.13Å; F22-E24 HydrophobicContact CE2-CB 4.22Å; E24-A36 PolarHBondContact N-O 2.9Å; E24-A36 PolarHBondContact O-N 3.07Å |
| 25 | F | 98.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.4 | 166.5 | 55.6 | -99.9 | 0 | 0 | 0 | 111.5 | L8 R9 Y10 F27 L33 R34 Y35 L130 K131 V134 | L8-F25 HydrophobicContact CD2-CD2 4.11Å; L8-F25 HydrophobicContact CD2-CE2 3.79Å; R9-F25 WeakPolarHBondContact CA-O 3.33Å; Y10-F25 HydrophobicContact CD1-CD1 4.16Å; Y10-F25 AromaticContact CD1-CE1 3.42Å; Y10-F25 HydrophobicContact CD1-CE1 3.42Å; Y10-F25 VanDerWaalsContact CD1-CE1 3.42Å; Y10-F25 HydrophobicContact CD1-CE2 4.42Å; Y10-F25 AromaticContact CD1-CZ 3.58Å; Y10-F25 HydrophobicContact CD1-CZ 3.58Å; Y10-F25 HydrophobicContact CE1-CE1 4.24Å; Y10-F25 HydrophobicContact CG-CE1 4.12Å; Y10-F25 HydrophobicContact CG-CE2 4.34Å; Y10-F25 AromaticContact CG-CZ 3.81Å; Y10-F25 HydrophobicContact CG-CZ 3.81Å; Y10-F25 PolarHBondContact N-O 3.5Å; Y10-F25 PolarHBondContact O-N 3.31Å; F25-F27 HydrophobicContact CD2-CE2 4.26Å; F25-L33 HydrophobicContact CB-CD1 4.42Å; F25-R34 CarbonylContact C-O 3.51Å; F25-R34 WeakPolarHBondContact CA-O 3.39Å; F25-R34 WeakPolarHBondContact CB-O 3.36Å; F25-Y35 HydrophobicContact CB-CD2 4.45Å; F25-L130 HydrophobicContact CE2-CB 4.2Å; F25-L130 HydrophobicContact CZ-CB 3.91Å; F25-K131 HydrophobicContact CE1-CG 4.05Å; F25-K131 HydrophobicContact CZ-CG 4.45Å; F25-V134 HydrophobicContact CB-CG1 4.07Å; F25-V134 HydrophobicContact CB-CG2 4.48Å; F25-V134 HydrophobicContact CD1-CB 4.35Å; F25-V134 HydrophobicContact CD1-CG1 3.99Å; F25-V134 HydrophobicContact CD1-CG2 4.21Å; F25-V134 HydrophobicContact CD2-CG2 3.71Å; F25-V134 HydrophobicContact CE1-CG2 4.34Å; F25-V134 HydrophobicContact CE2-CG2 3.85Å; F25-V134 HydrophobicContact CG-CB 4.41Å; F25-V134 HydrophobicContact CG-CG1 4.01Å; F25-V134 HydrophobicContact CG-CG2 3.88Å; F25-V134 HydrophobicContact CZ-CG2 4.17Å |
| 26 | E | 98.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.8 | -175.2 | 178.4 | -176.1 | -121.1 | 0 | 0 | 109.5 | Y7 L8 R9 R28 L33 R34 | Y7-E26 HydrophobicContact CE2-CG 3.64Å; Y7-E26 WeakPolarHBondContact CE2-OE1 3.38Å; Y7-E26 PolarHBondContact OH-OE1 3.19Å; L8-E26 CarbonylContact O-C 3.6Å; L8-E26 VanDerWaalsContact O-CA 3.29Å; L8-E26 WeakPolarHBondContact O-CA 3.43Å; R9-E26 HydrophobicContact CG-CB 4.36Å; E26-R28 HydrophobicContact CG-CG 4.03Å; E26-L33 CarbonylContact O-C 3.55Å; E26-L33 VanDerWaalsContact O-CA 3.31Å; E26-L33 WeakPolarHBondContact O-CA 3.28Å; E26-R34 HydrophobicContact CB-CB 4.38Å; E26-R34 PolarHBondContact N-O 3.48Å; E26-R34 PolarHBondContact O-N 2.99Å; E26-R34 VanDerWaalsContact OE2-CD 3.3Å; E26-R34 WeakPolarHBondContact OE2-CD 3.37Å; E26-R34 IonicContact OE2-CZ 3.92Å; E26-R34 IonicContact OE2-NE 2.75Å; E26-R34 IonicContact OE2-NH1 2.94Å; E26-R34 PolarHBondContact OE2-NH1 2.91Å |
| 27 | F | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.3 | 166.4 | -69.5 | -96.5 | 0 | 0 | 0 | 108.4 | Y7 L8 F25 L33 V53 M58 L61 V134 L137 | Y7-F27 WeakPolarHBondContact CD2-O 3.41Å; L8-F27 HydrophobicContact CB-CB 4.49Å; L8-F27 HydrophobicContact CD2-CD2 4.04Å; L8-F27 PolarHBondContact N-O 2.94Å; L8-F27 VanDerWaalsContact N-O 3.1Å; L8-F27 PolarHBondContact O-N 3.28Å; F25-F27 HydrophobicContact CD2-CE2 4.26Å; F27-L33 HydrophobicContact CD1-CB 4.2Å; F27-L33 HydrophobicContact CD1-CD1 4.24Å; F27-L33 HydrophobicContact CD2-CD1 4.11Å; F27-L33 HydrophobicContact CE1-CB 4.04Å; F27-L33 HydrophobicContact CE1-CD1 3.88Å; F27-L33 HydrophobicContact CE1-CD2 4.19Å; F27-L33 HydrophobicContact CE1-CG 4.25Å; F27-L33 HydrophobicContact CE2-CD1 3.74Å; F27-L33 HydrophobicContact CG-CD1 4.36Å; F27-L33 HydrophobicContact CZ-CD1 3.62Å; F27-L33 HydrophobicContact CZ-CD2 4.17Å; F27-L33 HydrophobicContact CZ-CG 4.34Å; F27-V53 HydrophobicContact CD1-CG2 4.31Å; F27-V53 HydrophobicContact CE1-CG1 4.38Å; F27-V53 HydrophobicContact CE1-CG2 4.31Å; F27-M58 HydrophobicContact CB-CE 4.44Å; F27-M58 HydrophobicContact CB-SD 4.46Å; F27-M58 HydrophobicContact CD1-SD 3.94Å; F27-L61 HydrophobicContact CB-CD2 4.04Å; F27-L61 HydrophobicContact CD1-CD2 3.99Å; F27-L61 HydrophobicContact CD2-CD2 3.57Å; F27-L61 HydrophobicContact CE1-CD2 4.28Å; F27-L61 HydrophobicContact CE2-CD2 3.89Å; F27-L61 HydrophobicContact CG-CD2 3.61Å; F27-L61 HydrophobicContact CZ-CD2 4.23Å; F27-V134 HydrophobicContact CE2-CG2 3.6Å; F27-V134 HydrophobicContact CZ-CG2 3.83Å; F27-L137 HydrophobicContact CE1-CD1 4.33Å; F27-L137 HydrophobicContact CZ-CD1 4.18Å |
| 28 | R | 98.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 38% | 0.381 | 21% | 0.211 | S | C | . | . | trans | -91.2 | 161 | 179.4 | -63.2 | -176.7 | 76 | -146.3 | 7.5 | 111.2 | E26 D30 G31 K32 M58 | E26-R28 HydrophobicContact CG-CG 4.03Å; R28-D30 WeakPolarHBondContact CB-OD1 3.12Å; R28-D30 IonicContact NH1-OD2 3.42Å; R28-D30 PolarHBondContact O-N 2.92Å; R28-D30 VanDerWaalsContact O-N 3.08Å; R28-G31 PolarHBondContact O-N 3.49Å; R28-K32 HydrophobicContact CB-CB 4.25Å; R28-K32 PolarHBondContact N-O 3Å; R28-M58 WeakPolarHBondContact O-CE 3.33Å | ||
| 29 | P | 96.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 50% | 0.5 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.5 | -179.6 | -25.4 | 33.2 | 0 | 0 | 0 | 114.5 | F6 G31 | F6-P29 VanDerWaalsContact O-CA 3.29Å; F6-P29 WeakPolarHBondContact O-CA 3.5Å; F6-P29 WeakPolarHBondContact O-CG 3.15Å; P29-G31 PolarHBondContact O-N 3.24Å |
| 30 | D | 96 | Very high | 95.1 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 6 | 177.1 | 64.4 | -6.5 | 0 | 0 | 0 | 113.8 | R28 K32 F52 | R28-D30 WeakPolarHBondContact CB-OD1 3.12Å; R28-D30 IonicContact NH1-OD2 3.42Å; R28-D30 PolarHBondContact O-N 2.92Å; R28-D30 VanDerWaalsContact O-N 3.08Å; D30-K32 VanDerWaalsContact C-N 3.28Å; D30-K32 PolarHBondContact O-N 3.2Å; D30-K32 WeakPolarHBondContact OD1-CB 3.19Å; D30-K32 PolarHBondContact OD1-N 3.14Å; D30-F52 HydrophobicContact CB-CE1 4.5Å |
| 31 | G | 97.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 79.3 | 8.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R28 P29 L33 F52 V53 | R28-G31 PolarHBondContact O-N 3.49Å; P29-G31 PolarHBondContact O-N 3.24Å; G31-L33 PolarHBondContact O-N 2.91Å; G31-F52 WeakPolarHBondContact O-CA 3.39Å; G31-V53 WeakPolarHBondContact O-CG2 3.33Å; G31-V53 PolarHBondContact O-N 2.63Å |
| 32 | K | 98.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 48 Ų | 48 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 114.7 | 177.1 | -167.6 | 177.6 | -177.4 | -178.7 | 0 | 110.7 | R28 D30 R34 E50 F52 | R28-K32 HydrophobicContact CB-CB 4.25Å; R28-K32 PolarHBondContact N-O 3Å; D30-K32 VanDerWaalsContact C-N 3.28Å; D30-K32 PolarHBondContact O-N 3.2Å; D30-K32 WeakPolarHBondContact OD1-CB 3.19Å; D30-K32 PolarHBondContact OD1-N 3.14Å; K32-R34 HydrophobicContact CD-CG 4.33Å; K32-R34 HydrophobicContact CG-CG 4.19Å; K32-E50 VanDerWaalsContact CE-CD 3.43Å; K32-E50 WeakPolarHBondContact CE-OE2 3.38Å; K32-E50 IonicContact NZ-OE1 3.76Å; K32-E50 IonicContact NZ-OE2 3.21Å; K32-E50 PolarHBondContact NZ-OE2 2.68Å; K32-F52 HydrophobicContact CB-CD1 4.11Å; K32-F52 HydrophobicContact CB-CE1 3.79Å; K32-F52 HydrophobicContact CB-CZ 4.16Å; K32-F52 HydrophobicContact CD-CZ 4.14Å; K32-F52 HydrophobicContact CG-CE1 4.29Å; K32-F52 HydrophobicContact CG-CE2 4.45Å; K32-F52 HydrophobicContact CG-CZ 4.18Å |
| 33 | L | 98.7 | Very high | 91 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 124.7 | 165.6 | 171 | 57.7 | 0 | 0 | 0 | 109.5 | F25 E26 F27 G31 E50 A51 V53 L137 I138 | F25-L33 HydrophobicContact CB-CD1 4.42Å; E26-L33 CarbonylContact O-C 3.55Å; E26-L33 VanDerWaalsContact O-CA 3.31Å; E26-L33 WeakPolarHBondContact O-CA 3.28Å; F27-L33 HydrophobicContact CD1-CB 4.2Å; F27-L33 HydrophobicContact CD1-CD1 4.24Å; F27-L33 HydrophobicContact CD2-CD1 4.11Å; F27-L33 HydrophobicContact CE1-CB 4.04Å; F27-L33 HydrophobicContact CE1-CD1 3.88Å; F27-L33 HydrophobicContact CE1-CD2 4.19Å; F27-L33 HydrophobicContact CE1-CG 4.25Å; F27-L33 HydrophobicContact CE2-CD1 3.74Å; F27-L33 HydrophobicContact CG-CD1 4.36Å; F27-L33 HydrophobicContact CZ-CD1 3.62Å; F27-L33 HydrophobicContact CZ-CD2 4.17Å; F27-L33 HydrophobicContact CZ-CG 4.34Å; G31-L33 PolarHBondContact O-N 2.91Å; L33-E50 CarbonylContact O-C 3.54Å; L33-E50 VanDerWaalsContact O-CA 3.27Å; L33-E50 WeakPolarHBondContact O-CA 3.37Å; L33-A51 PolarHBondContact N-O 2.81Å; L33-A51 PolarHBondContact O-N 3.42Å; L33-V53 HydrophobicContact CB-CG1 4.12Å; L33-V53 HydrophobicContact CD2-CG1 4.37Å; L33-L137 HydrophobicContact CD2-CB 4.21Å; L33-L137 HydrophobicContact CD2-CD1 4.11Å; L33-I138 HydrophobicContact CD2-CD1 3.93Å; L33-I138 HydrophobicContact CD2-CG1 4.38Å; L33-I138 HydrophobicContact CG-CD1 4.41Å |
| 34 | R | 98.6 | Very high | 89.6 | Confident | 98 Ų | 98 | 57 Ų | 57 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.1 | 170.9 | -60 | 172.3 | 66.6 | -146.5 | 1.1 | 108.8 | F25 E26 K32 E50 | F25-R34 CarbonylContact C-O 3.51Å; F25-R34 WeakPolarHBondContact CA-O 3.39Å; F25-R34 WeakPolarHBondContact CB-O 3.36Å; E26-R34 HydrophobicContact CB-CB 4.38Å; E26-R34 PolarHBondContact N-O 3.48Å; E26-R34 PolarHBondContact O-N 2.99Å; E26-R34 VanDerWaalsContact OE2-CD 3.3Å; E26-R34 WeakPolarHBondContact OE2-CD 3.37Å; E26-R34 IonicContact OE2-CZ 3.92Å; E26-R34 IonicContact OE2-NE 2.75Å; E26-R34 IonicContact OE2-NH1 2.94Å; E26-R34 PolarHBondContact OE2-NH1 2.91Å; K32-R34 HydrophobicContact CD-CG 4.33Å; K32-R34 HydrophobicContact CG-CG 4.19Å; R34-E50 HydrophobicContact CB-CG 4.47Å; R34-E50 HydrophobicContact CG-CG 4.01Å; R34-E50 IonicContact CZ-OE1 2.77Å; R34-E50 IonicContact NE-OE1 3.91Å; R34-E50 PolarHBondContact NE-OE1 3.4Å |
| 35 | Y | 98.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132 | -178.5 | 172.1 | -86.9 | 0 | 0 | 0 | 109.5 | L23 F25 N37 I47 R48 K49 V134 F135 I138 P146 | L23-Y35 HydrophobicContact CD1-CD2 4.12Å; L23-Y35 HydrophobicContact CD1-CE2 3.34Å; F25-Y35 HydrophobicContact CB-CD2 4.45Å; Y35-N37 HydrophobicContact CE1-CB 3.72Å; Y35-N37 WeakPolarHBondContact OH-CB 3.43Å; Y35-N37 PolarHBondContact OH-ND2 2.94Å; Y35-I47 HydrophobicContact CD1-CG2 4.45Å; Y35-I47 HydrophobicContact CE1-CG2 4.11Å; Y35-R48 CarbonylContact O-C 3.47Å; Y35-R48 WeakPolarHBondContact O-CA 3.45Å; Y35-K49 HydrophobicContact CD1-CB 4.4Å; Y35-K49 PolarHBondContact N-O 3.19Å; Y35-K49 PolarHBondContact O-N 3.21Å; Y35-V134 HydrophobicContact CD2-CG1 3.85Å; Y35-V134 HydrophobicContact CE2-CG1 4.34Å; Y35-F135 HydrophobicContact CE2-CD1 4.33Å; Y35-F135 HydrophobicContact CE2-CE1 4.14Å; Y35-I138 HydrophobicContact CD1-CG2 4.38Å; Y35-I138 HydrophobicContact CD2-CG1 4.02Å; Y35-I138 HydrophobicContact CE1-CG2 4.47Å; Y35-I138 HydrophobicContact CG-CD1 4.17Å; Y35-I138 HydrophobicContact CG-CG1 4.01Å; Y35-P146 PolarHBondContact OH-O 3.03Å; Y35-P146 VanDerWaalsContact OH-O 3.08Å |
| 36 | A | 96.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | F22 L23 E24 I47 | F22-A36 HydrophobicContact CE2-CB 3.95Å; L23-A36 CarbonylContact C-O 3.52Å; L23-A36 WeakPolarHBondContact CA-O 3.39Å; E24-A36 PolarHBondContact N-O 2.9Å; E24-A36 PolarHBondContact O-N 3.07Å; A36-I47 CarbonylContact C-O 3.51Å; A36-I47 VanDerWaalsContact CA-O 3.28Å; A36-I47 WeakPolarHBondContact CA-O 3.43Å |
| 37 | N | 94.5 | Very high | 87.7 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.1 | 171.4 | -175.8 | -16.6 | 0 | 0 | 0 | 108.4 | F22 L23 Y35 I47 P146 | F22-N37 WeakPolarHBondContact O-CA 3.46Å; F22-N37 PolarHBondContact O-OD1 3.32Å; L23-N37 HydrophobicContact CD1-CB 4.13Å; Y35-N37 HydrophobicContact CE1-CB 3.72Å; Y35-N37 WeakPolarHBondContact OH-CB 3.43Å; Y35-N37 PolarHBondContact OH-ND2 2.94Å; N37-I47 PolarHBondContact N-O 3.31Å; N37-I47 PolarHBondContact O-N 2.64Å; N37-P146 PolarHBondContact ND2-O 3.1Å |
| 38 | N | 92 | Very high | 87.6 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 111.6 | 174.8 | -165.2 | 60.6 | 0 | 0 | 0 | 109.3 | H20 E21 F22 M46 | H20-N38 PolarHBondContact O-ND2 3.41Å; E21-N38 CarbonylContact C-O 3.59Å; E21-N38 VanDerWaalsContact CA-O 3.23Å; E21-N38 WeakPolarHBondContact CA-O 3.45Å; F22-N38 HydrophobicContact CD1-CB 3.66Å; F22-N38 HydrophobicContact CE1-CB 3.42Å; F22-N38 VanDerWaalsContact CE1-CB 3.42Å; F22-N38 HydrophobicContact CG-CB 4.4Å; F22-N38 HydrophobicContact CZ-CB 3.98Å; F22-N38 PolarHBondContact N-O 3.08Å; F22-N38 PolarHBondContact O-N 3.06Å; N38-M46 HydrophobicContact CB-CE 3.8Å; N38-M46 HydrophobicContact CB-CG 4.16Å; N38-M46 WeakPolarHBondContact OD1-CB 3.16Å; N38-M46 WeakPolarHBondContact OD1-CE 3.45Å |
| 39 | S | 83.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | trans | -115.3 | 139.3 | 168.9 | 63 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 40 | N | 77.1 | Confident | 87.6 | Confident | 50 Ų | 50 | 70.5 Ų | 70.5 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | trans | -102.7 | 7 | 173 | -63.5 | -42.6 | 0 | 0 | 0 | 110.8 | F18 H20 E21 K42 | F18-N40 HydrophobicContact CB-CB 4.19Å; F18-N40 WeakPolarHBondContact O-CB 3.15Å; F18-N40 VanDerWaalsContact O-CG 3.23Å; F18-N40 PolarHBondContact O-ND2 3Å; H20-N40 PolarHBondContact O-ND2 2.95Å; E21-N40 HydrophobicContact CG-CB 4.34Å; E21-N40 PolarHBondContact OE1-N 2.94Å; N40-K42 PolarHBondContact O-N 2.96Å | ||
| 41 | Y | 62.1 | Low | 87.7 | Confident | 162 Ų | 162 | 67.2 Ų | 67.2 | 64% | 0.635 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -62.8 | 120.3 | 171.4 | -171 | -105.5 | 0 | 0 | 0 | 109.9 | N43 D44 | Y41-N43 VanDerWaalsContact C-N 3.31Å; Y41-N43 PolarHBondContact O-N 3.39Å; Y41-D44 PolarHBondContact O-N 3.09Å |
| 42 | K | 64.6 | Low | 87.8 | Confident | 168 Ų | 168 | 73.8 Ų | 73.8 | 73% | 0.73 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | 59.6 | 29.3 | 178.7 | -61.4 | 179.4 | 175.1 | 176.3 | 0 | 115.8 | N40 D44 | N40-K42 PolarHBondContact O-N 2.96Å; K42-D44 VanDerWaalsContact C-N 3.29Å; K42-D44 PolarHBondContact O-N 3.48Å |
| 43 | N | 66.1 | Low | 87.8 | Confident | 156 Ų | 156 | 73.1 Ų | 73.1 | 83% | 0.834 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | 60.5 | 35.4 | -177.7 | -53.8 | -36.3 | 0 | 0 | 0 | 113.3 | Y41 | Y41-N43 VanDerWaalsContact C-N 3.31Å; Y41-N43 PolarHBondContact O-N 3.39Å |
| 44 | D | 67.9 | Low | 87.7 | Confident | 81 Ų | 81 | 79.4 Ų | 79.4 | 43% | 0.433 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 150.7 | 176.5 | -148.3 | -14 | 0 | 0 | 0 | 111.1 | Y41 K42 | Y41-D44 PolarHBondContact O-N 3.09Å; K42-D44 VanDerWaalsContact C-N 3.29Å; K42-D44 PolarHBondContact O-N 3.48Å |
| 45 | T | 77.7 | Confident | 87.6 | Confident | 111 Ų | 111 | 79.3 Ų | 79.3 | 68% | 0.681 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 136 | 177.6 | 40.8 | 0 | 0 | 0 | 0 | 110.2 | I47 | T45-I47 PolarHBondContact O-N 3.22Š|
| 46 | M | 88.1 | Confident | 87.6 | Confident | 71 Ų | 71 | 82 Ų | 82 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 122.5 | 175.5 | -173.7 | -178.7 | -80 | 0 | 0 | 111.9 | F22 N38 R48 | F22-M46 HydrophobicContact CE1-CE 3.89Å; F22-M46 HydrophobicContact CZ-CE 3.97Å; N38-M46 HydrophobicContact CB-CE 3.8Å; N38-M46 HydrophobicContact CB-CG 4.16Å; N38-M46 WeakPolarHBondContact OD1-CB 3.16Å; N38-M46 WeakPolarHBondContact OD1-CE 3.45Å; M46-R48 HydrophobicContact CG-CG 4.28Å; M46-R48 HydrophobicContact SD-CG 4.36Å; M46-R48 PolarHBondContact SD-NE 2.87Å; M46-R48 PolarHBondContact SD-NH2 2.96Å |
| 47 | I | 91.3 | Very high | 87.7 | Confident | 46 Ų | 46 | 83.1 Ų | 83.1 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125 | 177.2 | -59 | 175.1 | 0 | 0 | 0 | 108.2 | Y35 A36 N37 T45 K49 I144 | Y35-I47 HydrophobicContact CD1-CG2 4.45Å; Y35-I47 HydrophobicContact CE1-CG2 4.11Å; A36-I47 CarbonylContact C-O 3.51Å; A36-I47 VanDerWaalsContact CA-O 3.28Å; A36-I47 WeakPolarHBondContact CA-O 3.43Å; N37-I47 PolarHBondContact N-O 3.31Å; N37-I47 PolarHBondContact O-N 2.64Å; T45-I47 PolarHBondContact O-N 3.22Å; I47-K49 HydrophobicContact CG2-CG 4.08Å; I47-I144 HydrophobicContact CG2-CD1 3.96Å |
| 48 | R | 95.7 | Very high | 87.8 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.7 | 171.2 | -65.6 | 179.7 | 178.9 | -89.2 | 1.9 | 109.7 | Y35 M46 | Y35-R48 CarbonylContact O-C 3.47Å; Y35-R48 WeakPolarHBondContact O-CA 3.45Å; M46-R48 HydrophobicContact CG-CG 4.28Å; M46-R48 HydrophobicContact SD-CG 4.36Å; M46-R48 PolarHBondContact SD-NE 2.87Å; M46-R48 PolarHBondContact SD-NH2 2.96Å |
| 49 | K | 96.8 | Very high | 88.1 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.4 | -179.2 | -63.8 | -62.5 | 175.9 | -171.7 | 0 | 110.2 | Y35 I47 I138 F142 I144 | Y35-K49 HydrophobicContact CD1-CB 4.4Å; Y35-K49 PolarHBondContact N-O 3.19Å; Y35-K49 PolarHBondContact O-N 3.21Å; I47-K49 HydrophobicContact CG2-CG 4.08Å; K49-I138 HydrophobicContact CB-CD1 4.22Å; K49-F142 HydrophobicContact CB-CD2 3.99Å; K49-F142 HydrophobicContact CB-CE2 3.63Å; K49-F142 HydrophobicContact CB-CZ 3.96Å; K49-F142 HydrophobicContact CD-CB 4.4Å; K49-F142 HydrophobicContact CD-CD1 3.77Å; K49-F142 HydrophobicContact CD-CD2 4.03Å; K49-F142 HydrophobicContact CD-CE1 3.95Å; K49-F142 HydrophobicContact CD-CE2 4.21Å; K49-F142 HydrophobicContact CD-CG 3.8Å; K49-F142 HydrophobicContact CD-CZ 4.16Å; K49-F142 HydrophobicContact CG-CD2 3.96Å; K49-F142 HydrophobicContact CG-CE2 4.11Å; K49-F142 HydrophobicContact CG-CG 4.21Å; K49-F142 HydrophobicContact CG-CZ 4.46Å; K49-I144 HydrophobicContact CG-CD1 4.12Å |
| 50 | E | 98.2 | Very high | 88.8 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.3 | 175.9 | -56.2 | -166.5 | 148.1 | 0 | 0 | 109.3 | K32 L33 R34 F142 | K32-E50 VanDerWaalsContact CE-CD 3.43Å; K32-E50 WeakPolarHBondContact CE-OE2 3.38Å; K32-E50 IonicContact NZ-OE1 3.76Å; K32-E50 IonicContact NZ-OE2 3.21Å; K32-E50 PolarHBondContact NZ-OE2 2.68Å; L33-E50 CarbonylContact O-C 3.54Å; L33-E50 VanDerWaalsContact O-CA 3.27Å; L33-E50 WeakPolarHBondContact O-CA 3.37Å; R34-E50 HydrophobicContact CB-CG 4.47Å; R34-E50 HydrophobicContact CG-CG 4.01Å; R34-E50 IonicContact CZ-OE1 2.77Å; R34-E50 IonicContact NE-OE1 3.91Å; R34-E50 PolarHBondContact NE-OE1 3.4Å; E50-F142 WeakPolarHBondContact O-CZ 3.45Å |
| 51 | A | 98.1 | Very high | 89.8 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L33 F142 | L33-A51 PolarHBondContact N-O 2.81Å; L33-A51 PolarHBondContact O-N 3.42Å; A51-F142 HydrophobicContact CB-CE2 4.31Å; A51-F142 HydrophobicContact CB-CZ 4.13Å |
| 52 | F | 98.4 | Very high | 91.5 | Very high | 144 Ų | 144 | 80 Ų | 80 | 63% | 0.632 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.4 | 165.8 | -74.2 | -92.2 | 0 | 0 | 0 | 108.6 | D30 G31 K32 | D30-F52 HydrophobicContact CB-CE1 4.5Å; G31-F52 WeakPolarHBondContact O-CA 3.39Å; K32-F52 HydrophobicContact CB-CD1 4.11Å; K32-F52 HydrophobicContact CB-CE1 3.79Å; K32-F52 HydrophobicContact CB-CZ 4.16Å; K32-F52 HydrophobicContact CD-CZ 4.14Å; K32-F52 HydrophobicContact CG-CE1 4.29Å; K32-F52 HydrophobicContact CG-CE2 4.45Å; K32-F52 HydrophobicContact CG-CZ 4.18Å |
| 53 | V | 98.3 | Very high | 93.1 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 16% | 0.158 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 156.1 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | F27 G31 L33 V57 M58 L137 | F27-V53 HydrophobicContact CD1-CG2 4.31Å; F27-V53 HydrophobicContact CE1-CG1 4.38Å; F27-V53 HydrophobicContact CE1-CG2 4.31Å; G31-V53 WeakPolarHBondContact O-CG2 3.33Å; G31-V53 PolarHBondContact O-N 2.63Å; L33-V53 HydrophobicContact CB-CG1 4.12Å; L33-V53 HydrophobicContact CD2-CG1 4.37Å; V53-V57 HydrophobicContact CB-CB 3.95Å; V53-V57 HydrophobicContact CB-CG1 4.05Å; V53-V57 HydrophobicContact CB-CG2 4.25Å; V53-V57 HydrophobicContact CG1-CG1 4.3Å; V53-V57 HydrophobicContact CG2-CB 4.04Å; V53-V57 HydrophobicContact CG2-CG1 4.07Å; V53-M58 HydrophobicContact CG2-CG 3.93Å; V53-M58 HydrophobicContact CG2-SD 3.56Å; V53-M58 VanDerWaalsContact CG2-SD 3.56Å; V53-L137 HydrophobicContact CG1-CD1 4.34Å |
| 54 | H | 98.1 | Very high | 94.6 | Very high | 133 Ų | 133 | 71.3 Ų | 71.3 | 62% | 0.616 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 154.3 | 174.6 | -173.8 | -101.3 | 0 | 0 | 0 | 110.9 | S56 V57 M58 | H54-S56 PolarHBondContact ND1-N 2.8Å; H54-S56 PolarHBondContact ND1-OG 3.12Å; H54-S56 PolarHBondContact O-N 3.13Å; H54-S56 VanDerWaalsContact O-N 3.14Å; H54-V57 WeakPolarHBondContact O-CB 3.43Å; H54-V57 PolarHBondContact O-N 3.04Å; H54-M58 PolarHBondContact O-N 3.5Å |
| 55 | Q | 96.7 | Very high | 96.1 | Very high | 96 Ų | 96 | 67.5 Ų | 67.5 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.8 | -37.3 | 179.4 | -177 | 61.1 | 25.7 | 0 | 0 | 113.1 | V57 M58 E59 | Q55-V57 PolarHBondContact O-N 3.21Å; Q55-M58 WeakPolarHBondContact O-CA 3.41Å; Q55-M58 WeakPolarHBondContact O-CB 3.34Å; Q55-M58 PolarHBondContact O-N 3.47Å; Q55-E59 HydrophobicContact CG-CG 4.39Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.33Å; Q55-E59 WeakPolarHBondContact O-CG 3.4Å; Q55-E59 PolarHBondContact O-N 2.88Å |
| 56 | S | 97.9 | Very high | 97 | Very high | 63 Ų | 63 | 67 Ų | 67 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -29.2 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | H54 E60 | H54-S56 PolarHBondContact ND1-N 2.8Å; H54-S56 PolarHBondContact ND1-OG 3.12Å; H54-S56 PolarHBondContact O-N 3.13Å; H54-S56 VanDerWaalsContact O-N 3.14Å; S56-E60 WeakPolarHBondContact O-CB 3.28Å; S56-E60 PolarHBondContact O-N 2.81Å |
| 57 | V | 98.3 | Very high | 97.5 | Very high | 30 Ų | 30 | 68.5 Ų | 68.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 174 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | V53 H54 Q55 E60 L61 L137 | V53-V57 HydrophobicContact CB-CB 3.95Å; V53-V57 HydrophobicContact CB-CG1 4.05Å; V53-V57 HydrophobicContact CB-CG2 4.25Å; V53-V57 HydrophobicContact CG1-CG1 4.3Å; V53-V57 HydrophobicContact CG2-CB 4.04Å; V53-V57 HydrophobicContact CG2-CG1 4.07Å; H54-V57 WeakPolarHBondContact O-CB 3.43Å; H54-V57 PolarHBondContact O-N 3.04Å; Q55-V57 PolarHBondContact O-N 3.21Å; V57-E60 PolarHBondContact O-N 2.85Å; V57-L61 WeakPolarHBondContact O-CB 3.29Å; V57-L61 PolarHBondContact O-N 2.79Å; V57-L137 HydrophobicContact CG1-CD1 3.97Å |
| 58 | M | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 176.8 | -58.5 | -64.8 | -79 | 0 | 0 | 111.1 | F6 F27 R28 V53 H54 Q55 L61 K62 | F6-M58 HydrophobicContact CD1-CE 3.6Å; F6-M58 HydrophobicContact CE1-CE 4.09Å; F27-M58 HydrophobicContact CB-CE 4.44Å; F27-M58 HydrophobicContact CB-SD 4.46Å; F27-M58 HydrophobicContact CD1-SD 3.94Å; R28-M58 WeakPolarHBondContact O-CE 3.33Å; V53-M58 HydrophobicContact CG2-CG 3.93Å; V53-M58 HydrophobicContact CG2-SD 3.56Å; V53-M58 VanDerWaalsContact CG2-SD 3.56Å; H54-M58 PolarHBondContact O-N 3.5Å; Q55-M58 WeakPolarHBondContact O-CA 3.41Å; Q55-M58 WeakPolarHBondContact O-CB 3.34Å; Q55-M58 PolarHBondContact O-N 3.47Å; M58-L61 PolarHBondContact O-N 2.64Å; M58-K62 WeakPolarHBondContact O-CG 3.01Å; M58-K62 PolarHBondContact O-N 3.29Å |
| 59 | E | 97.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.8 | -71.1 | 169.5 | 177.9 | 0 | 0 | 112.1 | Q55 L61 K62 R63 | Q55-E59 HydrophobicContact CG-CG 4.39Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.33Å; Q55-E59 WeakPolarHBondContact O-CG 3.4Å; Q55-E59 PolarHBondContact O-N 2.88Å; E59-L61 VanDerWaalsContact C-N 3.35Å; E59-K62 WeakPolarHBondContact O-CB 3.3Å; E59-K62 PolarHBondContact O-N 2.77Å; E59-R63 PolarHBondContact O-N 3.21Å |
| 60 | E | 98.2 | Very high | 98 | Very high | 77 Ų | 77 | 62.8 Ų | 62.8 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 175.9 | -179.9 | 62.3 | -179.2 | 0 | 0 | 112.1 | S56 V57 K62 R63 I64 | S56-E60 WeakPolarHBondContact O-CB 3.28Å; S56-E60 PolarHBondContact O-N 2.81Å; V57-E60 PolarHBondContact O-N 2.85Å; E60-K62 VanDerWaalsContact C-N 3.35Å; E60-R63 WeakPolarHBondContact O-CB 3.37Å; E60-R63 PolarHBondContact O-N 3.3Å; E60-R63 IonicContact OE1-CZ 3.71Å; E60-R63 IonicContact OE1-NE 3.64Å; E60-R63 PolarHBondContact OE1-NE 2.96Å; E60-R63 IonicContact OE1-NH2 3.66Å; E60-R63 PolarHBondContact OE1-NH2 2.82Å; E60-R63 IonicContact OE2-CZ 3.95Å; E60-R63 IonicContact OE2-NE 3.46Å; E60-R63 PolarHBondContact OE2-NE 3.47Å; E60-R63 IonicContact OE2-NH2 2.63Å; E60-I64 HydrophobicContact CG-CD1 4.23Å; E60-I64 WeakPolarHBondContact O-CG1 3.22Å; E60-I64 PolarHBondContact O-N 2.96Å |
| 61 | L | 98 | Very high | 98 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.4 | -168.6 | 65.9 | 0 | 0 | 0 | 111.3 | F6 L8 F27 V57 M58 E59 I64 I65 L130 L133 | F6-L61 HydrophobicContact CE1-CB 4.31Å; F6-L61 HydrophobicContact CE1-CD2 3.53Å; F6-L61 HydrophobicContact CE1-CG 4.1Å; F6-L61 HydrophobicContact CZ-CB 4.2Å; F6-L61 HydrophobicContact CZ-CD2 3.64Å; F6-L61 HydrophobicContact CZ-CG 3.79Å; L8-L61 HydrophobicContact CB-CD2 4.37Å; L8-L61 HydrophobicContact CD1-CD1 4.48Å; L8-L61 HydrophobicContact CD1-CD2 4.36Å; L8-L61 HydrophobicContact CD1-CG 4.44Å; F27-L61 HydrophobicContact CB-CD2 4.04Å; F27-L61 HydrophobicContact CD1-CD2 3.99Å; F27-L61 HydrophobicContact CD2-CD2 3.57Å; F27-L61 HydrophobicContact CE1-CD2 4.28Å; F27-L61 HydrophobicContact CE2-CD2 3.89Å; F27-L61 HydrophobicContact CG-CD2 3.61Å; F27-L61 HydrophobicContact CZ-CD2 4.23Å; V57-L61 WeakPolarHBondContact O-CB 3.29Å; V57-L61 PolarHBondContact O-N 2.79Å; M58-L61 PolarHBondContact O-N 2.64Å; E59-L61 VanDerWaalsContact C-N 3.35Å; L61-I64 PolarHBondContact O-N 2.77Å; L61-I65 HydrophobicContact CG-CD1 4.35Å; L61-I65 WeakPolarHBondContact O-CD1 3.36Å; L61-I65 VanDerWaalsContact O-CG1 3.28Å; L61-I65 WeakPolarHBondContact O-CG1 3.12Å; L61-I65 PolarHBondContact O-N 2.74Å; L61-I65 VanDerWaalsContact O-N 3.13Å; L61-L130 HydrophobicContact CD1-CD2 3.37Å; L61-L133 HydrophobicContact CD1-CD2 3.83Å |
| 62 | K | 97.6 | Very high | 98 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 13% | 0.13 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 171.9 | -73.9 | -179.4 | 176.5 | -163.9 | 0 | 111.5 | E4 F6 M58 E59 E60 I64 I65 I66 | E4-K62 PolarHBondContact O-NZ 3Å; E4-K62 IonicContact OE2-NZ 3.93Å; F6-K62 HydrophobicContact CD1-CG 4.39Å; F6-K62 HydrophobicContact CD2-CD 4.2Å; F6-K62 HydrophobicContact CD2-CG 3.54Å; F6-K62 HydrophobicContact CE1-CG 4.44Å; F6-K62 HydrophobicContact CE2-CG 3.6Å; F6-K62 HydrophobicContact CG-CD 4.32Å; F6-K62 HydrophobicContact CG-CG 3.94Å; F6-K62 HydrophobicContact CZ-CG 4.06Å; M58-K62 WeakPolarHBondContact O-CG 3.01Å; M58-K62 PolarHBondContact O-N 3.29Å; E59-K62 WeakPolarHBondContact O-CB 3.3Å; E59-K62 PolarHBondContact O-N 2.77Å; E60-K62 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 2.76Å; K62-I65 PolarHBondContact O-N 2.68Å; K62-I66 WeakPolarHBondContact O-CG1 3.27Å; K62-I66 PolarHBondContact O-N 3Å |
| 63 | R | 98.2 | Very high | 97.9 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 178.5 | -169.9 | -168.4 | 67.5 | 77.8 | -0.2 | 111.6 | E59 E60 I65 I66 D67 | E59-R63 PolarHBondContact O-N 3.21Å; E60-R63 WeakPolarHBondContact O-CB 3.37Å; E60-R63 PolarHBondContact O-N 3.3Å; E60-R63 IonicContact OE1-CZ 3.71Å; E60-R63 IonicContact OE1-NE 3.64Å; E60-R63 PolarHBondContact OE1-NE 2.96Å; E60-R63 IonicContact OE1-NH2 3.66Å; E60-R63 PolarHBondContact OE1-NH2 2.82Å; E60-R63 IonicContact OE2-CZ 3.95Å; E60-R63 IonicContact OE2-NE 3.46Å; E60-R63 PolarHBondContact OE2-NE 3.47Å; E60-R63 IonicContact OE2-NH2 2.63Å; R63-I65 VanDerWaalsContact C-N 3.29Å; R63-I65 PolarHBondContact O-N 3.23Å; R63-I66 PolarHBondContact O-N 3.29Å; R63-D67 IonicContact CZ-OD2 3.15Å; R63-D67 IonicContact NH1-OD2 3.4Å; R63-D67 PolarHBondContact NH1-OD2 3.22Å; R63-D67 WeakPolarHBondContact O-CB 3.31Å; R63-D67 VanDerWaalsContact O-CG 3.24Å; R63-D67 PolarHBondContact O-N 3.24Å |
| 64 | I | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 14% | 0.138 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 177.4 | -68.9 | 165.2 | 0 | 0 | 0 | 111.2 | E60 L61 K62 S68 L126 D129 L133 | E60-I64 HydrophobicContact CG-CD1 4.23Å; E60-I64 WeakPolarHBondContact O-CG1 3.22Å; E60-I64 PolarHBondContact O-N 2.96Å; L61-I64 PolarHBondContact O-N 2.77Å; K62-I64 PolarHBondContact O-N 2.76Å; I64-S68 WeakPolarHBondContact O-CB 3.43Å; I64-S68 PolarHBondContact O-N 3.15Å; I64-S68 VanDerWaalsContact O-N 3.12Å; I64-L126 HydrophobicContact CG2-CD1 3.75Å; I64-D129 HydrophobicContact CG2-CB 4.23Å; I64-L133 HydrophobicContact CD1-CD2 4.28Å |
| 65 | I | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -47.6 | 179.4 | -65.4 | 159.7 | 0 | 0 | 0 | 111 | F6 L8 L61 K62 R63 S68 E69 I70 M71 I91 I93 | F6-I65 HydrophobicContact CE2-CD1 3.57Å; F6-I65 HydrophobicContact CZ-CD1 3.6Å; L8-I65 HydrophobicContact CD1-CD1 3.57Å; L8-I65 HydrophobicContact CD1-CG1 4.18Å; L61-I65 HydrophobicContact CG-CD1 4.35Å; L61-I65 WeakPolarHBondContact O-CD1 3.36Å; L61-I65 VanDerWaalsContact O-CG1 3.28Å; L61-I65 WeakPolarHBondContact O-CG1 3.12Å; L61-I65 PolarHBondContact O-N 2.74Å; L61-I65 VanDerWaalsContact O-N 3.13Å; K62-I65 PolarHBondContact O-N 2.68Å; R63-I65 VanDerWaalsContact C-N 3.29Å; R63-I65 PolarHBondContact O-N 3.23Å; I65-S68 PolarHBondContact O-N 3.15Å; I65-S68 PolarHBondContact O-OG 2.97Å; I65-E69 PolarHBondContact O-N 3.07Å; I65-I70 HydrophobicContact CG2-CG2 3.72Å; I65-M71 HydrophobicContact CG2-CG 4.19Å; I65-M71 HydrophobicContact CG2-SD 4.18Å; I65-I91 HydrophobicContact CD1-CD1 4.19Å; I65-I91 HydrophobicContact CD1-CG2 4.18Å; I65-I91 HydrophobicContact CG1-CD1 4.17Å; I65-I91 HydrophobicContact CG2-CD1 4.02Å; I65-I91 HydrophobicContact CG2-CG2 4.24Å; I65-I93 HydrophobicContact CB-CD1 4.07Å; I65-I93 HydrophobicContact CD1-CD1 4.32Å; I65-I93 HydrophobicContact CG2-CD1 3.5Å; I65-I93 VanDerWaalsContact CG2-CD1 3.5Å |
| 66 | I | 97.6 | Very high | 98 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 179.8 | -68.4 | 165.3 | 0 | 0 | 0 | 110.4 | K62 R63 S68 E69 | K62-I66 WeakPolarHBondContact O-CG1 3.27Å; K62-I66 PolarHBondContact O-N 3Å; R63-I66 PolarHBondContact O-N 3.29Å; I66-S68 PolarHBondContact O-N 3.33Å; I66-E69 PolarHBondContact O-N 3.05Å |
| 67 | D | 98.3 | Very high | 97.9 | Very high | 101 Ų | 101 | 62 Ų | 62 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -24.2 | 180 | -71 | -7.5 | 0 | 0 | 0 | 112.8 | R63 E69 | R63-D67 IonicContact CZ-OD2 3.15Å; R63-D67 IonicContact NH1-OD2 3.4Å; R63-D67 PolarHBondContact NH1-OD2 3.22Å; R63-D67 WeakPolarHBondContact O-CB 3.31Å; R63-D67 VanDerWaalsContact O-CG 3.24Å; R63-D67 PolarHBondContact O-N 3.24Å; D67-E69 VanDerWaalsContact C-N 3.3Å |
| 68 | S | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.4 | -17 | 175.5 | 74 | 0 | 0 | 0 | 0 | 113.6 | I64 I65 I66 I70 C122 | I64-S68 WeakPolarHBondContact O-CB 3.43Å; I64-S68 PolarHBondContact O-N 3.15Å; I64-S68 VanDerWaalsContact O-N 3.12Å; I65-S68 PolarHBondContact O-N 3.15Å; I65-S68 PolarHBondContact O-OG 2.97Å; I66-S68 PolarHBondContact O-N 3.33Å; S68-I70 PolarHBondContact O-N 3.47Å; S68-I70 VanDerWaalsContact O-N 3.09Å; S68-I70 WeakPolarHBondContact OG-CB 3.4Å; S68-I70 WeakPolarHBondContact OG-CG2 3.49Å; S68-I70 PolarHBondContact OG-N 3.44Å; S68-C122 PolarHBondContact O-SG 2.91Å |
| 69 | E | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 63.2 Ų | 63.2 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 11.7 | -174 | -55.2 | -176.8 | 148.1 | 0 | 0 | 114.5 | I65 I66 D67 M71 Q72 | I65-E69 PolarHBondContact O-N 3.07Å; I66-E69 PolarHBondContact O-N 3.05Å; D67-E69 VanDerWaalsContact C-N 3.3Å; E69-M71 PolarHBondContact O-N 2.97Å; E69-Q72 WeakPolarHBondContact O-CB 3.3Å; E69-Q72 PolarHBondContact O-N 3.07Å |
| 70 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -55.9 | -26.5 | -176.7 | -168.3 | 58.4 | 0 | 0 | 0 | 114.4 | I65 S68 Q72 E73 W78 L89 I91 I98 F100 F123 L126 | I65-I70 HydrophobicContact CG2-CG2 3.72Å; S68-I70 PolarHBondContact O-N 3.47Å; S68-I70 VanDerWaalsContact O-N 3.09Å; S68-I70 WeakPolarHBondContact OG-CB 3.4Å; S68-I70 WeakPolarHBondContact OG-CG2 3.49Å; S68-I70 PolarHBondContact OG-N 3.44Å; I70-Q72 PolarHBondContact O-N 2.99Å; I70-E73 HydrophobicContact CD1-CB 4.3Å; I70-E73 HydrophobicContact CD1-CG 4.15Å; I70-E73 PolarHBondContact O-N 3.48Å; I70-W78 HydrophobicContact CD1-CH2 4.46Å; I70-L89 HydrophobicContact CG1-CD2 4.32Å; I70-I91 HydrophobicContact CG2-CD1 4.28Å; I70-I98 HydrophobicContact CG1-CD1 4.3Å; I70-I98 HydrophobicContact CG2-CD1 4.36Å; I70-F100 HydrophobicContact CD1-CD2 4.43Å; I70-F100 HydrophobicContact CD1-CE2 3.74Å; I70-F100 HydrophobicContact CG1-CE2 3.79Å; I70-F123 HydrophobicContact CD1-CB 4.09Å; I70-F123 HydrophobicContact CD1-CD2 4.43Å; I70-L126 HydrophobicContact CB-CD2 3.7Å; I70-L126 HydrophobicContact CD1-CD2 4.49Å; I70-L126 HydrophobicContact CG1-CD2 3.66Å; I70-L126 HydrophobicContact CG2-CD2 3.58Å |
| 71 | M | 97.7 | Very high | 97.8 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 16% | 0.158 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -66.8 | -14.9 | 178.9 | -58.3 | -64.6 | -66.9 | 0 | 0 | 112.4 | I65 E69 I91 I93 E96 I98 | I65-M71 HydrophobicContact CG2-CG 4.19Å; I65-M71 HydrophobicContact CG2-SD 4.18Å; E69-M71 PolarHBondContact O-N 2.97Å; M71-I91 HydrophobicContact CE-CG2 4.49Å; M71-I91 HydrophobicContact SD-CB 4.19Å; M71-I91 HydrophobicContact SD-CG2 3.78Å; M71-I93 HydrophobicContact SD-CD1 4.29Å; M71-E96 HydrophobicContact CE-CB 3.55Å; M71-I98 HydrophobicContact CE-CG1 4.17Å; M71-I98 HydrophobicContact CE-CG2 4.16Å; M71-I98 HydrophobicContact SD-CD1 3.62Å; M71-I98 HydrophobicContact SD-CG1 3.71Å; M71-I98 HydrophobicContact SD-CG2 4.38Å |
| 72 | Q | 97.2 | Very high | 97.6 | Very high | 153 Ų | 153 | 65.8 Ų | 65.8 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -92.5 | -6.6 | 178.2 | -55.3 | -179.1 | 23.1 | 0 | 0 | 113.1 | E69 I70 | E69-Q72 WeakPolarHBondContact O-CB 3.3Å; E69-Q72 PolarHBondContact O-N 3.07Å; I70-Q72 PolarHBondContact O-N 2.99Å |
| 73 | E | 98.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 75.8 Ų | 75.8 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | trans | -90.1 | 161.8 | -175.2 | -57.6 | -62.3 | 172.9 | 0 | 0 | 112.7 | I70 W78 F100 G119 C122 | I70-E73 HydrophobicContact CD1-CB 4.3Å; I70-E73 HydrophobicContact CD1-CG 4.15Å; I70-E73 PolarHBondContact O-N 3.48Å; E73-W78 HydrophobicContact CB-CZ2 4.25Å; E73-F100 HydrophobicContact CB-CZ 4.18Å; E73-F100 WeakPolarHBondContact O-CE1 3.24Å; E73-F100 VanDerWaalsContact O-CZ 3.28Å; E73-F100 WeakPolarHBondContact O-CZ 3.48Å; E73-G119 WeakPolarHBondContact OE2-CA 3.49Å; E73-C122 HydrophobicContact CG-CB 4.37Å | ||
| 74 | D | 97.5 | Very high | 96.8 | Very high | 81 Ų | 81 | 74.7 Ų | 74.7 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | trans | -134.5 | 136 | 179.1 | -168.5 | -45.4 | 0 | 0 | 0 | 110 | L76 P77 W78 | D74-L76 WeakPolarHBondContact OD1-CB 3.3Å; D74-L76 WeakPolarHBondContact OD1-CD1 3.45Å; D74-L76 WeakPolarHBondContact OD1-CG 3.38Å; D74-L76 PolarHBondContact OD1-N 3.35Å; D74-P77 WeakPolarHBondContact O-CD 3.48Å; D74-W78 PolarHBondContact O-NE1 3.19Å | ||
| 75 | D | 98.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -90.7 | -4.5 | -177.5 | 75.4 | -21.7 | 0 | 0 | 0 | 114.6 | P77 W78 F100 T101 | D75-P77 VanDerWaalsContact C-N 3.31Å; D75-W78 HydrophobicContact CB-CB 4.45Å; D75-W78 HydrophobicContact CB-CD2 3.78Å; D75-W78 HydrophobicContact CB-CE3 3.49Å; D75-W78 VanDerWaalsContact CB-CE3 3.49Å; D75-W78 HydrophobicContact CB-CG 4.22Å; D75-W78 HydrophobicContact CB-CZ3 3.96Å; D75-W78 VanDerWaalsContact O-CB 3.3Å; D75-W78 WeakPolarHBondContact O-CB 3.37Å; D75-W78 PolarHBondContact O-N 3.47Å; D75-F100 HydrophobicContact CB-CB 4.04Å; D75-F100 HydrophobicContact CB-CD1 3.71Å; D75-F100 HydrophobicContact CB-CG 4.13Å; D75-F100 VanDerWaalsContact OD2-CA 3.27Å; D75-F100 WeakPolarHBondContact OD2-CA 3.49Å; D75-T101 PolarHBondContact OD2-N 3.22Å |
| 76 | L | 97.9 | Very high | 96.6 | Very high | 147 Ų | 147 | 78.3 Ų | 78.3 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -42.4 | 173.8 | -78.9 | 168.4 | 0 | 0 | 0 | 114.2 | D74 W78 | D74-L76 WeakPolarHBondContact OD1-CB 3.3Å; D74-L76 WeakPolarHBondContact OD1-CD1 3.45Å; D74-L76 WeakPolarHBondContact OD1-CG 3.38Å; D74-L76 PolarHBondContact OD1-N 3.35Å; L76-W78 VanDerWaalsContact C-N 3.34Å |
| 77 | P | 97.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 74 Ų | 74 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.1 | 177 | 31.6 | -33.6 | 0 | 0 | 0 | 114 | D74 D75 K115 D116 | D74-P77 WeakPolarHBondContact O-CD 3.48Å; D75-P77 VanDerWaalsContact C-N 3.31Å; P77-K115 HydrophobicContact CB-CB 4.26Å; P77-D116 HydrophobicContact CB-CB 3.81Å; P77-D116 HydrophobicContact CG-CB 3.51Å |
| 78 | W | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 5% | 0.045 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -76 | 156.3 | -173.7 | -62.1 | -0.6 | 0 | 0 | 0 | 112.2 | I70 E73 D74 D75 L76 F100 T102 D116 L120 F123 | I70-W78 HydrophobicContact CD1-CH2 4.46Å; E73-W78 HydrophobicContact CB-CZ2 4.25Å; D74-W78 PolarHBondContact O-NE1 3.19Å; D75-W78 HydrophobicContact CB-CB 4.45Å; D75-W78 HydrophobicContact CB-CD2 3.78Å; D75-W78 HydrophobicContact CB-CE3 3.49Å; D75-W78 VanDerWaalsContact CB-CE3 3.49Å; D75-W78 HydrophobicContact CB-CG 4.22Å; D75-W78 HydrophobicContact CB-CZ3 3.96Å; D75-W78 VanDerWaalsContact O-CB 3.3Å; D75-W78 WeakPolarHBondContact O-CB 3.37Å; D75-W78 PolarHBondContact O-N 3.47Å; L76-W78 VanDerWaalsContact C-N 3.34Å; W78-F100 AromaticContact CH2-CD2 3.72Å; W78-F100 HydrophobicContact CH2-CD2 3.72Å; W78-F100 AromaticContact CH2-CE2 3.94Å; W78-F100 HydrophobicContact CH2-CE2 3.94Å; W78-F100 HydrophobicContact CH2-CG 4.07Å; W78-F100 HydrophobicContact CZ3-CB 3.81Å; W78-F100 HydrophobicContact CZ3-CD1 4.5Å; W78-F100 AromaticContact CZ3-CD2 3.81Å; W78-F100 HydrophobicContact CZ3-CD2 3.81Å; W78-F100 HydrophobicContact CZ3-CE2 4.47Å; W78-F100 AromaticContact CZ3-CG 3.81Å; W78-F100 HydrophobicContact CZ3-CG 3.81Å; W78-T102 HydrophobicContact CE3-CG2 4.11Å; W78-D116 PolarHBondContact NE1-OD2 2.98Å; W78-L120 HydrophobicContact CD2-CD1 3.75Å; W78-L120 HydrophobicContact CE3-CD1 3.95Å; W78-L120 HydrophobicContact CG-CD1 4Å; W78-F123 HydrophobicContact CH2-CB 3.61Å; W78-F123 AromaticContact CH2-CD2 3.79Å; W78-F123 HydrophobicContact CH2-CD2 3.79Å; W78-F123 AromaticContact CH2-CG 3.85Å; W78-F123 HydrophobicContact CH2-CG 3.85Å; W78-F123 HydrophobicContact CZ2-CB 4.21Å; W78-F123 HydrophobicContact CZ3-CB 4.02Å; W78-F123 HydrophobicContact CZ3-CD1 4.4Å; W78-F123 AromaticContact CZ3-CD2 3.6Å; W78-F123 HydrophobicContact CZ3-CD2 3.6Å; W78-F123 HydrophobicContact CZ3-CE2 4.1Å; W78-F123 AromaticContact CZ3-CG 3.76Å; W78-F123 HydrophobicContact CZ3-CG 3.76Å |
| 79 | P | 97.2 | Very high | 96.7 | Very high | 51 Ų | 51 | 69 Ų | 69 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 128.6 | 177.3 | -22.2 | 33.9 | 0 | 0 | 0 | 111.3 | T102 S103 | P79-T102 CarbonylContact O-C 3.5Å; P79-T102 VanDerWaalsContact O-CA 3.32Å; P79-T102 WeakPolarHBondContact O-CA 3.49Å; P79-T102 PolarHBondContact O-OG1 3.08Å; P79-S103 PolarHBondContact O-N 2.81Å |
| 80 | P | 97.1 | Very high | 96.8 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 155.1 | 178.1 | 29.8 | -35.7 | 0 | 0 | 0 | 111.1 | S103 | P80-S103 WeakPolarHBondContact O-CB 3.36Š|
| 81 | P | 96.9 | Very high | 96.8 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 141.2 | 176.7 | -26 | 34.1 | 0 | 0 | 0 | 113.3 | R86 T101 | P81-R86 HydrophobicContact CB-CB 3.98Å; P81-R86 HydrophobicContact CB-CG 3.91Å; P81-R86 HydrophobicContact CG-CB 4.41Å; P81-R86 HydrophobicContact CG-CG 3.81Å; P81-T101 HydrophobicContact CG-CG2 3.3Å |
| 82 | D | 93.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | trans | -137.8 | -162.9 | -176.7 | 66.3 | 28.9 | 0 | 0 | 0 | 112.3 | V84 G85 S103 | D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 VanDerWaalsContact OD1-CA 3.31Å; D82-V84 WeakPolarHBondContact OD1-CA 3.37Å; D82-V84 WeakPolarHBondContact OD1-CB 3.41Å; D82-V84 PolarHBondContact OD1-N 2.98Å; D82-G85 PolarHBondContact N-O 3Å; D82-G85 PolarHBondContact O-N 3.28Å; D82-G85 PolarHBondContact OD1-N 2.73Å; D82-S103 PolarHBondContact OD1-OG 2.87Å; D82-S103 PolarHBondContact OD2-OG 2.83Å | ||
| 83 | R | 89.2 | Confident | 96.7 | Very high | 240 Ų | 240 | 59.4 Ų | 59.4 | 91% | 0.906 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -70.5 | -25.6 | 178.8 | -65.6 | -177 | 178.9 | 177 | 0.2 | 113.5 | ||
| 84 | V | 90.5 | Very high | 96.5 | Very high | 93 Ų | 93 | 58 Ų | 58 | 56% | 0.564 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -70.8 | -37.2 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | H14 D82 K104 | H14-V84 VanDerWaalsContact CB-O 3.22Å; H14-V84 WeakPolarHBondContact CB-O 3.1Å; D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 VanDerWaalsContact OD1-CA 3.31Å; D82-V84 WeakPolarHBondContact OD1-CA 3.37Å; D82-V84 WeakPolarHBondContact OD1-CB 3.41Å; D82-V84 PolarHBondContact OD1-N 2.98Å; V84-K104 HydrophobicContact CG1-CB 4.45Å |
| 85 | G | 95.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | trans | 159.5 | -170.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G13 D82 | G13-G85 CarbonylContact O-C 3.56Å; G13-G85 VanDerWaalsContact O-CA 3.27Å; G13-G85 WeakPolarHBondContact O-CA 3.48Å; D82-G85 PolarHBondContact N-O 3Å; D82-G85 PolarHBondContact O-N 3.28Å; D82-G85 PolarHBondContact OD1-N 2.73Å | ||
| 86 | R | 97.3 | Very high | 96.2 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.7 | 179.4 | -177.6 | 173.1 | -168 | -164.5 | 3.8 | 109.7 | Y11 V12 G13 P81 E88 T101 T102 | Y11-R86 HydrophobicContact CE1-CB 4.46Å; V12-R86 WeakPolarHBondContact CA-O 3.27Å; G13-R86 PolarHBondContact N-O 3.11Å; G13-R86 PolarHBondContact O-N 2.88Å; P81-R86 HydrophobicContact CB-CB 3.98Å; P81-R86 HydrophobicContact CB-CG 3.91Å; P81-R86 HydrophobicContact CG-CB 4.41Å; P81-R86 HydrophobicContact CG-CG 3.81Å; R86-E88 WeakPolarHBondContact CD-OE1 3.29Å; R86-E88 HydrophobicContact CG-CG 4.17Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact NE-OE1 2.74Å; R86-E88 PolarHBondContact NE-OE1 2.88Å; R86-E88 IonicContact NH1-OE1 2.76Å; R86-E88 PolarHBondContact NH1-OE1 3.07Å; R86-E88 IonicContact NH2-OE1 3.55Å; R86-E88 PolarHBondContact NH2-OE1 2.94Å; R86-T101 PolarHBondContact NH2-OG1 3.31Å; R86-T102 CarbonylContact C-O 3.6Å; R86-T102 WeakPolarHBondContact CA-O 3.23Å |
| 87 | Q | 98.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.8 | 164.1 | -66.1 | -179.3 | -106.3 | 0 | 0 | 109.2 | Y10 Y11 V12 T101 T102 S103 F123 | Y10-Q87 PolarHBondContact OH-NE2 3.14Å; Y11-Q87 CarbonylContact O-C 3.49Å; Y11-Q87 VanDerWaalsContact O-CA 3.28Å; Y11-Q87 WeakPolarHBondContact O-CA 3.27Å; V12-Q87 HydrophobicContact CB-CG 4.04Å; V12-Q87 HydrophobicContact CG2-CG 3.7Å; Q87-T101 WeakPolarHBondContact O-CA 3.39Å; Q87-T102 HydrophobicContact CB-CG2 3.99Å; Q87-T102 PolarHBondContact N-O 2.89Å; Q87-T102 PolarHBondContact O-N 3.45Å; Q87-S103 PolarHBondContact OE1-O 3.38Å; Q87-F123 HydrophobicContact CB-CE1 4.36Å; Q87-F123 HydrophobicContact CB-CZ 4.13Å |
| 88 | E | 98.8 | Very high | 96.2 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.4 | 171.5 | -50.4 | 168 | -166 | 0 | 0 | 108.7 | R9 Y10 Y11 R86 F100 | R9-E88 IonicContact CZ-OE2 3.47Å; R9-E88 IonicContact NH1-OE2 3Å; R9-E88 PolarHBondContact NH1-OE2 3.38Å; R9-E88 IonicContact NH2-OE2 3.54Å; R9-E88 PolarHBondContact NH2-OE2 3.33Å; Y10-E88 WeakPolarHBondContact CA-O 3.3Å; Y10-E88 WeakPolarHBondContact CD2-O 3.26Å; Y11-E88 HydrophobicContact CD1-CG 4.13Å; Y11-E88 PolarHBondContact N-O 3.21Å; Y11-E88 PolarHBondContact O-N 3.38Å; R86-E88 WeakPolarHBondContact CD-OE1 3.29Å; R86-E88 HydrophobicContact CG-CG 4.17Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact NE-OE1 2.74Å; R86-E88 PolarHBondContact NE-OE1 2.88Å; R86-E88 IonicContact NH1-OE1 2.76Å; R86-E88 PolarHBondContact NH1-OE1 3.07Å; R86-E88 IonicContact NH2-OE1 3.55Å; R86-E88 PolarHBondContact NH2-OE1 2.94Å; E88-F100 VanDerWaalsContact CA-O 3.26Å; E88-F100 WeakPolarHBondContact CA-O 3.11Å |
| 89 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.4 | 171.3 | 179.5 | 65.9 | 0 | 0 | 0 | 107.9 | R9 Y10 I70 I91 S99 F100 F123 L126 L130 | R9-L89 WeakPolarHBondContact O-CA 3.4Å; Y10-L89 HydrophobicContact CD2-CD1 4.29Å; I70-L89 HydrophobicContact CG1-CD2 4.32Å; L89-I91 HydrophobicContact CD1-CD1 4.06Å; L89-I91 HydrophobicContact CD1-CG1 4.1Å; L89-I91 HydrophobicContact CD2-CD1 3.94Å; L89-I91 HydrophobicContact CG-CD1 3.99Å; L89-I91 HydrophobicContact CG-CG1 4.1Å; L89-S99 CarbonylContact O-C 3.59Å; L89-S99 WeakPolarHBondContact O-CA 3.15Å; L89-F100 HydrophobicContact CD2-CD2 4.41Å; L89-F100 PolarHBondContact N-O 3.28Å; L89-F100 VanDerWaalsContact N-O 3.11Å; L89-F100 PolarHBondContact O-N 3.48Å; L89-F123 HydrophobicContact CB-CE2 3.64Å; L89-F123 HydrophobicContact CB-CZ 4.45Å; L89-F123 HydrophobicContact CD2-CD2 3.98Å; L89-F123 HydrophobicContact CD2-CE2 3.85Å; L89-F123 HydrophobicContact CG-CE2 4.41Å; L89-L126 HydrophobicContact CD2-CD2 4.01Å; L89-L130 HydrophobicContact CD1-CD1 4.11Å |
| 90 | E | 98.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.8 | 178.6 | -177.6 | 174 | -165.6 | 0 | 0 | 108.5 | Y7 L8 R9 H97 I98 | Y7-E90 HydrophobicContact CD1-CG 4.3Å; Y7-E90 HydrophobicContact CE1-CB 4.39Å; Y7-E90 HydrophobicContact CE1-CG 3.99Å; L8-E90 CarbonylContact C-O 3.6Å; L8-E90 WeakPolarHBondContact CA-O 3.39Å; R9-E90 HydrophobicContact CB-CB 4.46Å; R9-E90 IonicContact CZ-OE2 3.4Å; R9-E90 PolarHBondContact N-O 2.99Å; R9-E90 IonicContact NE-OE2 3.07Å; R9-E90 PolarHBondContact NE-OE2 2.93Å; R9-E90 IonicContact NH2-OE2 2.87Å; R9-E90 PolarHBondContact NH2-OE2 2.88Å; R9-E90 PolarHBondContact O-N 3.42Å; E90-H97 IonicContact OE1-CE1 2.81Å; E90-H97 IonicContact OE1-NE2 2.68Å; E90-H97 PolarHBondContact OE1-NE2 3Å; E90-I98 WeakPolarHBondContact CA-O 3.5Å |
| 91 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.4 | -175.5 | -60.9 | 176 | 0 | 0 | 0 | 109 | Y7 L8 I65 I70 M71 L89 I93 H97 I98 L126 | Y7-I91 CarbonylContact O-C 3.57Å; Y7-I91 WeakPolarHBondContact O-CA 3.4Å; L8-I91 HydrophobicContact CD1-CD1 4.09Å; L8-I91 HydrophobicContact CD1-CG1 4.06Å; L8-I91 HydrophobicContact CG-CG1 4.19Å; I65-I91 HydrophobicContact CD1-CD1 4.19Å; I65-I91 HydrophobicContact CD1-CG2 4.18Å; I65-I91 HydrophobicContact CG1-CD1 4.17Å; I65-I91 HydrophobicContact CG2-CD1 4.02Å; I65-I91 HydrophobicContact CG2-CG2 4.24Å; I70-I91 HydrophobicContact CG2-CD1 4.28Å; M71-I91 HydrophobicContact CE-CG2 4.49Å; M71-I91 HydrophobicContact SD-CB 4.19Å; M71-I91 HydrophobicContact SD-CG2 3.78Å; L89-I91 HydrophobicContact CD1-CD1 4.06Å; L89-I91 HydrophobicContact CD1-CG1 4.1Å; L89-I91 HydrophobicContact CD2-CD1 3.94Å; L89-I91 HydrophobicContact CG-CD1 3.99Å; L89-I91 HydrophobicContact CG-CG1 4.1Å; I91-I93 HydrophobicContact CG2-CD1 3.96Å; I91-I93 HydrophobicContact CG2-CG1 3.87Å; I91-H97 WeakPolarHBondContact O-CA 3.3Å; I91-H97 PolarHBondContact O-CD2 3.06Å; I91-I98 HydrophobicContact CB-CD1 4.17Å; I91-I98 HydrophobicContact CB-CG1 3.81Å; I91-I98 HydrophobicContact CD1-CD1 4.19Å; I91-I98 HydrophobicContact CG1-CD1 4.46Å; I91-I98 PolarHBondContact N-O 3.1Å; I91-I98 PolarHBondContact O-N 2.96Å; I91-L126 HydrophobicContact CD1-CD2 4.47Å |
| 92 | V | 98.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 21% | 0.212 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.9 | 167.2 | -175.7 | 0 | 0 | 0 | 0 | 108 | F6 Y7 E96 H97 | F6-V92 WeakPolarHBondContact CA-O 3.49Å; F6-V92 WeakPolarHBondContact CD2-O 3.23Å; Y7-V92 HydrophobicContact CD1-CG2 4.37Å; Y7-V92 PolarHBondContact N-O 2.83Å; Y7-V92 PolarHBondContact O-N 2.82Å; V92-E96 WeakPolarHBondContact CA-O 3.23Å; V92-H97 HydrophobicContact CG2-CB 4.4Å |
| 93 | I | 95.5 | Very high | 96.6 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 108.6 | 172.3 | -65.4 | 171.2 | 0 | 0 | 0 | 107.7 | F6 I65 M71 I91 D95 E96 | F6-I93 HydrophobicContact CD2-CG1 3.75Å; F6-I93 HydrophobicContact CE2-CD1 4.28Å; F6-I93 HydrophobicContact CE2-CG1 3.85Å; I65-I93 HydrophobicContact CB-CD1 4.07Å; I65-I93 HydrophobicContact CD1-CD1 4.32Å; I65-I93 HydrophobicContact CG2-CD1 3.5Å; I65-I93 VanDerWaalsContact CG2-CD1 3.5Å; M71-I93 HydrophobicContact SD-CD1 4.29Å; I91-I93 HydrophobicContact CG2-CD1 3.96Å; I91-I93 HydrophobicContact CG2-CG1 3.87Å; I93-D95 PolarHBondContact O-N 3.27Å; I93-E96 PolarHBondContact N-O 3.43Å; I93-E96 PolarHBondContact O-N 2.96Å |
| 94 | G | 92.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 26% | 0.258 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | -120.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D5 | D5-G94 PolarHBondContact O-N 3.3Š|
| 95 | D | 93.6 | Very high | 96.9 | Very high | 178 Ų | 178 | 44.3 Ų | 44.3 | 95% | 0.952 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.9 | 179.4 | -62.8 | -37.9 | 0 | 0 | 0 | 113.4 | I93 | I93-D95 PolarHBondContact O-N 3.27Š|
| 96 | E | 95.5 | Very high | 96.5 | Very high | 115 Ų | 115 | 47 Ų | 47 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.2 | 179 | -64.6 | -177.9 | -167.6 | 0 | 0 | 111.3 | M71 V92 I93 | M71-E96 HydrophobicContact CE-CB 3.55Å; V92-E96 WeakPolarHBondContact CA-O 3.23Å; I93-E96 PolarHBondContact N-O 3.43Å; I93-E96 PolarHBondContact O-N 2.96Å |
| 97 | H | 97.5 | Very high | 96.4 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 123.8 | 177.6 | -179.7 | -159.4 | 0 | 0 | 0 | 110.2 | E90 I91 V92 | E90-H97 IonicContact OE1-CE1 2.81Å; E90-H97 IonicContact OE1-NE2 2.68Å; E90-H97 PolarHBondContact OE1-NE2 3Å; I91-H97 WeakPolarHBondContact O-CA 3.3Å; I91-H97 PolarHBondContact O-CD2 3.06Å; V92-H97 HydrophobicContact CG2-CB 4.4Å |
| 98 | I | 98 | Very high | 96.2 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.2 | 170.5 | 59.4 | 163.2 | 0 | 0 | 0 | 110.5 | I70 M71 E90 I91 F100 | I70-I98 HydrophobicContact CG1-CD1 4.3Å; I70-I98 HydrophobicContact CG2-CD1 4.36Å; M71-I98 HydrophobicContact CE-CG1 4.17Å; M71-I98 HydrophobicContact CE-CG2 4.16Å; M71-I98 HydrophobicContact SD-CD1 3.62Å; M71-I98 HydrophobicContact SD-CG1 3.71Å; M71-I98 HydrophobicContact SD-CG2 4.38Å; E90-I98 WeakPolarHBondContact CA-O 3.5Å; I91-I98 HydrophobicContact CB-CD1 4.17Å; I91-I98 HydrophobicContact CB-CG1 3.81Å; I91-I98 HydrophobicContact CD1-CD1 4.19Å; I91-I98 HydrophobicContact CG1-CD1 4.46Å; I91-I98 PolarHBondContact N-O 3.1Å; I91-I98 PolarHBondContact O-N 2.96Å; I98-F100 HydrophobicContact CB-CE1 4.23Å; I98-F100 HydrophobicContact CB-CZ 4.08Å; I98-F100 HydrophobicContact CD1-CD2 4.22Å; I98-F100 HydrophobicContact CD1-CE2 3.51Å; I98-F100 HydrophobicContact CD1-CZ 3.71Å; I98-F100 HydrophobicContact CG1-CZ 4.47Å; I98-F100 HydrophobicContact CG2-CZ 4.37Å |
| 99 | S | 98.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 109.1 | 174.4 | -167.8 | 0 | 0 | 0 | 0 | 109.3 | L89 | L89-S99 CarbonylContact O-C 3.59Å; L89-S99 WeakPolarHBondContact O-CA 3.15Å |
| 100 | F | 98.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144.9 | -179.4 | -56.8 | -37.5 | 0 | 0 | 0 | 111.6 | I70 E73 D75 W78 E88 L89 I98 F123 | I70-F100 HydrophobicContact CD1-CD2 4.43Å; I70-F100 HydrophobicContact CD1-CE2 3.74Å; I70-F100 HydrophobicContact CG1-CE2 3.79Å; E73-F100 HydrophobicContact CB-CZ 4.18Å; E73-F100 WeakPolarHBondContact O-CE1 3.24Å; E73-F100 VanDerWaalsContact O-CZ 3.28Å; E73-F100 WeakPolarHBondContact O-CZ 3.48Å; D75-F100 HydrophobicContact CB-CB 4.04Å; D75-F100 HydrophobicContact CB-CD1 3.71Å; D75-F100 HydrophobicContact CB-CG 4.13Å; D75-F100 VanDerWaalsContact OD2-CA 3.27Å; D75-F100 WeakPolarHBondContact OD2-CA 3.49Å; W78-F100 AromaticContact CH2-CD2 3.72Å; W78-F100 HydrophobicContact CH2-CD2 3.72Å; W78-F100 AromaticContact CH2-CE2 3.94Å; W78-F100 HydrophobicContact CH2-CE2 3.94Å; W78-F100 HydrophobicContact CH2-CG 4.07Å; W78-F100 HydrophobicContact CZ3-CB 3.81Å; W78-F100 HydrophobicContact CZ3-CD1 4.5Å; W78-F100 AromaticContact CZ3-CD2 3.81Å; W78-F100 HydrophobicContact CZ3-CD2 3.81Å; W78-F100 HydrophobicContact CZ3-CE2 4.47Å; W78-F100 AromaticContact CZ3-CG 3.81Å; W78-F100 HydrophobicContact CZ3-CG 3.81Å; E88-F100 VanDerWaalsContact CA-O 3.26Å; E88-F100 WeakPolarHBondContact CA-O 3.11Å; L89-F100 HydrophobicContact CD2-CD2 4.41Å; L89-F100 PolarHBondContact N-O 3.28Å; L89-F100 VanDerWaalsContact N-O 3.11Å; L89-F100 PolarHBondContact O-N 3.48Å; I98-F100 HydrophobicContact CB-CE1 4.23Å; I98-F100 HydrophobicContact CB-CZ 4.08Å; I98-F100 HydrophobicContact CD1-CD2 4.22Å; I98-F100 HydrophobicContact CD1-CE2 3.51Å; I98-F100 HydrophobicContact CD1-CZ 3.71Å; I98-F100 HydrophobicContact CG1-CZ 4.47Å; I98-F100 HydrophobicContact CG2-CZ 4.37Å; F100-F123 HydrophobicContact CD2-CD2 4.23Å; F100-F123 HydrophobicContact CD2-CE2 4.48Å |
| 101 | T | 98.5 | Very high | 95.8 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 118.8 | 172.7 | -73.4 | 0 | 0 | 0 | 0 | 110.1 | D75 P81 R86 Q87 | D75-T101 PolarHBondContact OD2-N 3.22Å; P81-T101 HydrophobicContact CG-CG2 3.3Å; R86-T101 PolarHBondContact NH2-OG1 3.31Å; Q87-T101 WeakPolarHBondContact O-CA 3.39Å |
| 102 | T | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 168.3 | -178.7 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | W78 P79 R86 Q87 F123 | W78-T102 HydrophobicContact CE3-CG2 4.11Å; P79-T102 CarbonylContact O-C 3.5Å; P79-T102 VanDerWaalsContact O-CA 3.32Å; P79-T102 WeakPolarHBondContact O-CA 3.49Å; P79-T102 PolarHBondContact O-OG1 3.08Å; R86-T102 CarbonylContact C-O 3.6Å; R86-T102 WeakPolarHBondContact CA-O 3.23Å; Q87-T102 HydrophobicContact CB-CG2 3.99Å; Q87-T102 PolarHBondContact N-O 2.89Å; Q87-T102 PolarHBondContact O-N 3.45Å; T102-F123 HydrophobicContact CG2-CD1 4.48Å; T102-F123 HydrophobicContact CG2-CE1 3.8Å; T102-F123 HydrophobicContact CG2-CZ 4Å |
| 103 | S | 97.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 162.3 | 169.9 | -167.8 | 0 | 0 | 0 | 0 | 111.4 | P79 P80 D82 Q87 T105 | P79-S103 PolarHBondContact O-N 2.81Å; P80-S103 WeakPolarHBondContact O-CB 3.36Å; D82-S103 PolarHBondContact OD1-OG 2.87Å; D82-S103 PolarHBondContact OD2-OG 2.83Å; Q87-S103 PolarHBondContact OE1-O 3.38Å; S103-T105 PolarHBondContact O-N 2.84Å; S103-T105 VanDerWaalsContact O-N 3.17Å |
| 104 | K | 94.3 | Very high | 95.6 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | trans | -67.1 | 114.9 | 175.7 | -174.6 | 179.4 | 178.9 | -177.1 | 0 | 110.3 | V12 V84 | V12-K104 HydrophobicContact CG2-CG 4.49Å; V84-K104 HydrophobicContact CG1-CB 4.45Å | ||
| 105 | T | 92.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 14% | 0.135 | 37% | 0.367 | C | S | . | . | trans | -88.7 | 118.5 | 176 | -58.6 | 0 | 0 | 0 | 0 | 110 | S103 D110 V111 Y124 | S103-T105 PolarHBondContact O-N 2.84Å; S103-T105 VanDerWaalsContact O-N 3.17Å; T105-D110 HydrophobicContact CG2-CB 4.21Å; T105-V111 HydrophobicContact CG2-CG2 3.55Å; T105-Y124 HydrophobicContact CG2-CD2 3.97Å; T105-Y124 HydrophobicContact CG2-CE2 4.44Å | ||
| 106 | G | 88.3 | Confident | 96 | Very high | 58 Ų | 58 | 63.2 Ų | 63.2 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | trans | -88.7 | -33 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D110 | G106-D110 WeakPolarHBondContact CA-OD2 3.41Å; G106-D110 PolarHBondContact N-OD2 3.31Å | ||
| 107 | S | 93.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -157.2 | 167.4 | -171.7 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | V109 D110 V111 | S107-V109 PolarHBondContact O-N 2.89Å; S107-V109 PolarHBondContact OG-N 2.96Å; S107-D110 PolarHBondContact N-OD2 2.97Å; S107-D110 WeakPolarHBondContact O-CB 3.26Å; S107-D110 PolarHBondContact O-N 2.86Å; S107-D110 PolarHBondContact OG-OD2 3.26Å; S107-V111 PolarHBondContact O-N 3.29Å |
| 108 | L | 95.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -19.7 | 170.3 | -70 | 173.9 | 0 | 0 | 0 | 113.3 | D110 V111 N112 R121 Y124 Y125 | L108-D110 VanDerWaalsContact C-N 3.32Å; L108-V111 HydrophobicContact CD2-CG2 4.44Å; L108-V111 PolarHBondContact O-N 2.71Å; L108-N112 WeakPolarHBondContact O-CB 3.29Å; L108-N112 PolarHBondContact O-N 3.02Å; L108-N112 PolarHBondContact O-ND2 3Å; L108-R121 HydrophobicContact CD2-CG 4.3Å; L108-Y124 HydrophobicContact CD2-CD1 3.55Å; L108-Y124 HydrophobicContact CD2-CE1 3.58Å; L108-Y124 HydrophobicContact CD2-CG 4.44Å; L108-Y124 HydrophobicContact CG-CD1 4.28Å; L108-Y124 HydrophobicContact CG-CE1 3.78Å; L108-Y125 WeakPolarHBondContact CD1-OH 3.29Å; L108-Y125 HydrophobicContact CD2-CE2 4.46Å |
| 109 | V | 96.6 | Very high | 96.2 | Very high | 77 Ų | 77 | 59 Ų | 59 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | S107 R113 | S107-V109 PolarHBondContact O-N 2.89Å; S107-V109 PolarHBondContact OG-N 2.96Å; V109-R113 VanDerWaalsContact O-CG 3.29Å; V109-R113 WeakPolarHBondContact O-CG 3.4Å; V109-R113 PolarHBondContact O-N 2.81Å |
| 110 | D | 94.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 56 Ų | 56 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.5 | -52.7 | -50.5 | 0 | 0 | 0 | 110.3 | T105 G106 S107 L108 R113 S114 | T105-D110 HydrophobicContact CG2-CB 4.21Å; G106-D110 WeakPolarHBondContact CA-OD2 3.41Å; G106-D110 PolarHBondContact N-OD2 3.31Å; S107-D110 PolarHBondContact N-OD2 2.97Å; S107-D110 WeakPolarHBondContact O-CB 3.26Å; S107-D110 PolarHBondContact O-N 2.86Å; S107-D110 PolarHBondContact OG-OD2 3.26Å; L108-D110 VanDerWaalsContact C-N 3.32Å; D110-R113 PolarHBondContact O-N 3.03Å; D110-S114 PolarHBondContact O-N 3Å |
| 111 | V | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.4 | -52.2 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | T105 S107 L108 R113 S114 P117 L120 R121 Y124 | T105-V111 HydrophobicContact CG2-CG2 3.55Å; S107-V111 PolarHBondContact O-N 3.29Å; L108-V111 HydrophobicContact CD2-CG2 4.44Å; L108-V111 PolarHBondContact O-N 2.71Å; V111-R113 PolarHBondContact O-N 2.81Å; V111-R113 VanDerWaalsContact O-N 3.17Å; V111-S114 VanDerWaalsContact O-CB 3.29Å; V111-S114 WeakPolarHBondContact O-CB 3.5Å; V111-S114 PolarHBondContact O-N 2.9Å; V111-S114 PolarHBondContact O-OG 3.18Å; V111-P117 WeakPolarHBondContact CG1-O 3.08Å; V111-L120 HydrophobicContact CG1-CB 4.24Å; V111-L120 HydrophobicContact CG2-CG 4.37Å; V111-R121 HydrophobicContact CG1-CB 3.74Å; V111-R121 HydrophobicContact CG1-CG 4.49Å; V111-Y124 HydrophobicContact CG2-CD2 4.37Å; V111-Y124 HydrophobicContact CG2-CG 4.2Å |
| 112 | N | 96.7 | Very high | 96.1 | Very high | 94 Ų | 94 | 57.6 Ų | 57.6 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -17.7 | -177.1 | -70.1 | -22.8 | 0 | 0 | 0 | 113.8 | L108 R121 | L108-N112 WeakPolarHBondContact O-CB 3.29Å; L108-N112 PolarHBondContact O-N 3.02Å; L108-N112 PolarHBondContact O-ND2 3Å; N112-R121 PolarHBondContact OD1-NH2 3.27Å |
| 113 | R | 95.7 | Very high | 96.1 | Very high | 202 Ų | 202 | 57.7 Ų | 57.7 | 76% | 0.762 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.3 | 175.9 | -72.1 | 175.6 | 177.4 | -177.8 | 0.7 | 113.3 | V109 D110 V111 | V109-R113 VanDerWaalsContact O-CG 3.29Å; V109-R113 WeakPolarHBondContact O-CG 3.4Å; V109-R113 PolarHBondContact O-N 2.81Å; D110-R113 PolarHBondContact O-N 3.03Å; V111-R113 PolarHBondContact O-N 2.81Å; V111-R113 VanDerWaalsContact O-N 3.17Å |
| 114 | S | 96.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -71.8 | 168.8 | 179 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | D110 V111 D116 | D110-S114 PolarHBondContact O-N 3Å; V111-S114 VanDerWaalsContact O-CB 3.29Å; V111-S114 WeakPolarHBondContact O-CB 3.5Å; V111-S114 PolarHBondContact O-N 2.9Å; V111-S114 PolarHBondContact O-OG 3.18Å; S114-D116 PolarHBondContact O-N 2.74Å; S114-D116 PolarHBondContact OG-N 3.04Å; S114-D116 PolarHBondContact OG-O 3.25Å |
| 115 | K | 97.3 | Very high | 96.4 | Very high | 187 Ų | 187 | 60.4 Ų | 60.4 | 81% | 0.813 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -75.6 | -15.4 | 175.9 | -63.4 | 178.9 | 179.1 | 175.7 | 0 | 112.9 | P77 | P77-K115 HydrophobicContact CB-CB 4.26Š|
| 116 | D | 98 | Very high | 96.7 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.171 | 30% | 0.299 | C | S | . | . | trans | -137.3 | 80 | 176.8 | 172 | 34.2 | 0 | 0 | 0 | 110.2 | P77 W78 S114 E118 G119 L120 | P77-D116 HydrophobicContact CB-CB 3.81Å; P77-D116 HydrophobicContact CG-CB 3.51Å; W78-D116 PolarHBondContact NE1-OD2 2.98Å; S114-D116 PolarHBondContact O-N 2.74Å; S114-D116 PolarHBondContact OG-N 3.04Å; S114-D116 PolarHBondContact OG-O 3.25Å; D116-E118 VanDerWaalsContact C-N 3.27Å; D116-E118 PolarHBondContact O-N 3.17Å; D116-G119 PolarHBondContact OD1-N 2.92Å; D116-G119 WeakPolarHBondContact OD2-CA 3.48Å; D116-G119 PolarHBondContact OD2-N 2.92Å; D116-L120 VanDerWaalsContact O-CB 3.23Å; D116-L120 WeakPolarHBondContact O-CB 3.34Å; D116-L120 PolarHBondContact O-N 3.31Å | ||
| 117 | P | 97.7 | Very high | 97.2 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 25% | 0.253 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.6 | -24.3 | -178.5 | -25.1 | 36.8 | 0 | 0 | 0 | 114.7 | V111 R121 | V111-P117 WeakPolarHBondContact CG1-O 3.08Å; P117-R121 WeakPolarHBondContact O-CB 3.26Å; P117-R121 PolarHBondContact O-N 3.06Å |
| 118 | E | 97.9 | Very high | 97.4 | Very high | 120 Ų | 120 | 58.9 Ų | 58.9 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -79.5 | -54.6 | -177 | -62.2 | -54.8 | 124.4 | 0 | 0 | 110.3 | D116 L120 R121 C122 | D116-E118 VanDerWaalsContact C-N 3.27Å; D116-E118 PolarHBondContact O-N 3.17Å; E118-L120 PolarHBondContact O-N 3.27Å; E118-R121 WeakPolarHBondContact O-CB 3.42Å; E118-R121 PolarHBondContact O-N 2.87Å; E118-R121 IonicContact OE1-CZ 3.02Å; E118-R121 IonicContact OE1-NH1 3.5Å; E118-R121 PolarHBondContact OE1-NH1 3.07Å; E118-R121 IonicContact OE1-NH2 2.71Å; E118-R121 PolarHBondContact OE1-NH2 2.82Å; E118-R121 VanDerWaalsContact OE1-NH2 3.15Å; E118-R121 IonicContact OE2-CZ 3.29Å; E118-R121 IonicContact OE2-NH1 3.95Å; E118-R121 PolarHBondContact OE2-NH1 3.18Å; E118-C122 PolarHBondContact O-N 3.08Å |
| 119 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E73 D116 R121 C122 F123 | E73-G119 WeakPolarHBondContact OE2-CA 3.49Å; D116-G119 PolarHBondContact OD1-N 2.92Å; D116-G119 WeakPolarHBondContact OD2-CA 3.48Å; D116-G119 PolarHBondContact OD2-N 2.92Å; G119-R121 VanDerWaalsContact C-N 3.25Å; G119-R121 PolarHBondContact O-N 2.88Å; G119-C122 WeakPolarHBondContact O-CB 3.43Å; G119-C122 PolarHBondContact O-N 3.17Å; G119-F123 PolarHBondContact O-N 3.27Å |
| 120 | L | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -24.6 | 176.4 | -165.1 | 63.2 | 0 | 0 | 0 | 112.6 | W78 V111 D116 E118 F123 Y124 | W78-L120 HydrophobicContact CD2-CD1 3.75Å; W78-L120 HydrophobicContact CE3-CD1 3.95Å; W78-L120 HydrophobicContact CG-CD1 4Å; V111-L120 HydrophobicContact CG1-CB 4.24Å; V111-L120 HydrophobicContact CG2-CG 4.37Å; D116-L120 VanDerWaalsContact O-CB 3.23Å; D116-L120 WeakPolarHBondContact O-CB 3.34Å; D116-L120 PolarHBondContact O-N 3.31Å; E118-L120 PolarHBondContact O-N 3.27Å; L120-F123 HydrophobicContact CD1-CD1 4.2Å; L120-Y124 VanDerWaalsContact O-CB 3.23Å; L120-Y124 WeakPolarHBondContact O-CB 3.18Å; L120-Y124 PolarHBondContact O-N 2.92Å |
| 121 | R | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.3 | -41.8 | 172.5 | -171.3 | -179.2 | -50.1 | 118.8 | 5.8 | 111.4 | L108 V111 N112 P117 E118 G119 Y124 Y125 | L108-R121 HydrophobicContact CD2-CG 4.3Å; V111-R121 HydrophobicContact CG1-CB 3.74Å; V111-R121 HydrophobicContact CG1-CG 4.49Å; N112-R121 PolarHBondContact OD1-NH2 3.27Å; P117-R121 WeakPolarHBondContact O-CB 3.26Å; P117-R121 PolarHBondContact O-N 3.06Å; E118-R121 WeakPolarHBondContact O-CB 3.42Å; E118-R121 PolarHBondContact O-N 2.87Å; E118-R121 IonicContact OE1-CZ 3.02Å; E118-R121 IonicContact OE1-NH1 3.5Å; E118-R121 PolarHBondContact OE1-NH1 3.07Å; E118-R121 IonicContact OE1-NH2 2.71Å; E118-R121 PolarHBondContact OE1-NH2 2.82Å; E118-R121 VanDerWaalsContact OE1-NH2 3.15Å; E118-R121 IonicContact OE2-CZ 3.29Å; E118-R121 IonicContact OE2-NH1 3.95Å; E118-R121 PolarHBondContact OE2-NH1 3.18Å; G119-R121 VanDerWaalsContact C-N 3.25Å; G119-R121 PolarHBondContact O-N 2.88Å; R121-Y124 PolarHBondContact O-N 3.31Å; R121-Y125 HydrophobicContact CG-CD2 3.72Å; R121-Y125 HydrophobicContact CG-CE2 3.43Å; R121-Y125 VanDerWaalsContact CG-CE2 3.43Å; R121-Y125 VanDerWaalsContact O-CD2 3.3Å; R121-Y125 WeakPolarHBondContact O-CD2 3.43Å; R121-Y125 PolarHBondContact O-N 3.46Å |
| 122 | C | 98.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.8 | -53.9 | 170.8 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | S68 E73 E118 G119 Y124 Y125 L126 | S68-C122 PolarHBondContact O-SG 2.91Å; E73-C122 HydrophobicContact CG-CB 4.37Å; E118-C122 PolarHBondContact O-N 3.08Å; G119-C122 WeakPolarHBondContact O-CB 3.43Å; G119-C122 PolarHBondContact O-N 3.17Å; C122-Y124 VanDerWaalsContact C-N 3.33Å; C122-Y124 PolarHBondContact O-N 3.18Å; C122-Y125 PolarHBondContact O-N 3.31Å; C122-L126 WeakPolarHBondContact O-CB 3.32Å; C122-L126 PolarHBondContact O-N 2.82Å |
| 123 | F | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.2 | -45.8 | 175.2 | -180 | -96.5 | 0 | 0 | 0 | 112.8 | Y10 I70 W78 Q87 L89 F100 T102 G119 L120 Y125 V127 | Y10-F123 HydrophobicContact CE2-CZ 4.47Å; I70-F123 HydrophobicContact CD1-CB 4.09Å; I70-F123 HydrophobicContact CD1-CD2 4.43Å; W78-F123 HydrophobicContact CH2-CB 3.61Å; W78-F123 AromaticContact CH2-CD2 3.79Å; W78-F123 HydrophobicContact CH2-CD2 3.79Å; W78-F123 AromaticContact CH2-CG 3.85Å; W78-F123 HydrophobicContact CH2-CG 3.85Å; W78-F123 HydrophobicContact CZ2-CB 4.21Å; W78-F123 HydrophobicContact CZ3-CB 4.02Å; W78-F123 HydrophobicContact CZ3-CD1 4.4Å; W78-F123 AromaticContact CZ3-CD2 3.6Å; W78-F123 HydrophobicContact CZ3-CD2 3.6Å; W78-F123 HydrophobicContact CZ3-CE2 4.1Å; W78-F123 AromaticContact CZ3-CG 3.76Å; W78-F123 HydrophobicContact CZ3-CG 3.76Å; Q87-F123 HydrophobicContact CB-CE1 4.36Å; Q87-F123 HydrophobicContact CB-CZ 4.13Å; L89-F123 HydrophobicContact CB-CE2 3.64Å; L89-F123 HydrophobicContact CB-CZ 4.45Å; L89-F123 HydrophobicContact CD2-CD2 3.98Å; L89-F123 HydrophobicContact CD2-CE2 3.85Å; L89-F123 HydrophobicContact CG-CE2 4.41Å; F100-F123 HydrophobicContact CD2-CD2 4.23Å; F100-F123 HydrophobicContact CD2-CE2 4.48Å; T102-F123 HydrophobicContact CG2-CD1 4.48Å; T102-F123 HydrophobicContact CG2-CE1 3.8Å; T102-F123 HydrophobicContact CG2-CZ 4Å; G119-F123 PolarHBondContact O-N 3.27Å; L120-F123 HydrophobicContact CD1-CD1 4.2Å; F123-Y125 PolarHBondContact O-N 2.96Å; F123-V127 HydrophobicContact CD1-CG2 4.23Å; F123-V127 HydrophobicContact CD2-CG2 4.32Å; F123-V127 HydrophobicContact CE1-CG2 3.94Å; F123-V127 HydrophobicContact CE2-CG2 4.04Å; F123-V127 HydrophobicContact CG-CG2 4.42Å; F123-V127 HydrophobicContact CZ-CG2 3.83Å; F123-V127 WeakPolarHBondContact O-CB 3.48Å; F123-V127 VanDerWaalsContact O-CG2 3.23Å; F123-V127 WeakPolarHBondContact O-CG2 3.28Å; F123-V127 PolarHBondContact O-N 3.16Å |
| 124 | Y | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | -178.3 | 177 | -101.8 | 0 | 0 | 0 | 113.4 | T105 L108 V111 L120 R121 C122 Q128 | T105-Y124 HydrophobicContact CG2-CD2 3.97Å; T105-Y124 HydrophobicContact CG2-CE2 4.44Å; L108-Y124 HydrophobicContact CD2-CD1 3.55Å; L108-Y124 HydrophobicContact CD2-CE1 3.58Å; L108-Y124 HydrophobicContact CD2-CG 4.44Å; L108-Y124 HydrophobicContact CG-CD1 4.28Å; L108-Y124 HydrophobicContact CG-CE1 3.78Å; V111-Y124 HydrophobicContact CG2-CD2 4.37Å; V111-Y124 HydrophobicContact CG2-CG 4.2Å; L120-Y124 VanDerWaalsContact O-CB 3.23Å; L120-Y124 WeakPolarHBondContact O-CB 3.18Å; L120-Y124 PolarHBondContact O-N 2.92Å; R121-Y124 PolarHBondContact O-N 3.31Å; C122-Y124 VanDerWaalsContact C-N 3.33Å; C122-Y124 PolarHBondContact O-N 3.18Å; Y124-Q128 PolarHBondContact O-NE2 3.22Å |
| 125 | Y | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -76.9 | -44.8 | 178.1 | -73.4 | -57.2 | 0 | 0 | 0 | 112 | L108 R121 C122 F123 V127 Q128 D129 | L108-Y125 WeakPolarHBondContact CD1-OH 3.29Å; L108-Y125 HydrophobicContact CD2-CE2 4.46Å; R121-Y125 HydrophobicContact CG-CD2 3.72Å; R121-Y125 HydrophobicContact CG-CE2 3.43Å; R121-Y125 VanDerWaalsContact CG-CE2 3.43Å; R121-Y125 VanDerWaalsContact O-CD2 3.3Å; R121-Y125 WeakPolarHBondContact O-CD2 3.43Å; R121-Y125 PolarHBondContact O-N 3.46Å; C122-Y125 PolarHBondContact O-N 3.31Å; F123-Y125 PolarHBondContact O-N 2.96Å; Y125-V127 VanDerWaalsContact C-N 3.29Å; Y125-V127 PolarHBondContact O-N 2.91Å; Y125-Q128 WeakPolarHBondContact O-CA 3.45Å; Y125-Q128 WeakPolarHBondContact O-CB 3.28Å; Y125-Q128 PolarHBondContact O-N 2.97Å; Y125-D129 PolarHBondContact O-N 2.84Å |
| 126 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.7 | -46 | 176.8 | 175.7 | 65.1 | 0 | 0 | 0 | 111.5 | I64 I70 L89 I91 C122 Q128 D129 L130 | I64-L126 HydrophobicContact CG2-CD1 3.75Å; I70-L126 HydrophobicContact CB-CD2 3.7Å; I70-L126 HydrophobicContact CD1-CD2 4.49Å; I70-L126 HydrophobicContact CG1-CD2 3.66Å; I70-L126 HydrophobicContact CG2-CD2 3.58Å; L89-L126 HydrophobicContact CD2-CD2 4.01Å; I91-L126 HydrophobicContact CD1-CD2 4.47Å; C122-L126 WeakPolarHBondContact O-CB 3.32Å; C122-L126 PolarHBondContact O-N 2.82Å; L126-Q128 PolarHBondContact O-N 2.74Å; L126-D129 PolarHBondContact O-N 3.32Å; L126-D129 VanDerWaalsContact O-N 3.15Å; L126-L130 HydrophobicContact CD1-CD1 4.19Å; L126-L130 HydrophobicContact CD1-CD2 4.34Å; L126-L130 HydrophobicContact CD1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 4.39Å; L126-L130 HydrophobicContact CG-CD1 3.87Å; L126-L130 HydrophobicContact CG-CG 4.13Å; L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 3.06Å |
| 127 | V | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -33.1 | 178.2 | 165.4 | 0 | 0 | 0 | 0 | 112.3 | Y10 F123 Y125 K131 | Y10-V127 HydrophobicContact CD2-CG1 4.38Å; Y10-V127 HydrophobicContact CD2-CG2 3.91Å; Y10-V127 HydrophobicContact CE1-CG1 4.25Å; Y10-V127 HydrophobicContact CE2-CB 4.15Å; Y10-V127 HydrophobicContact CE2-CG1 3.52Å; Y10-V127 HydrophobicContact CE2-CG2 3.46Å; Y10-V127 VanDerWaalsContact CE2-CG2 3.46Å; Y10-V127 VanDerWaalsContact CZ-CG1 3.43Å; Y10-V127 WeakPolarHBondContact OH-CG1 3.45Å; F123-V127 HydrophobicContact CD1-CG2 4.23Å; F123-V127 HydrophobicContact CD2-CG2 4.32Å; F123-V127 HydrophobicContact CE1-CG2 3.94Å; F123-V127 HydrophobicContact CE2-CG2 4.04Å; F123-V127 HydrophobicContact CG-CG2 4.42Å; F123-V127 HydrophobicContact CZ-CG2 3.83Å; F123-V127 WeakPolarHBondContact O-CB 3.48Å; F123-V127 VanDerWaalsContact O-CG2 3.23Å; F123-V127 WeakPolarHBondContact O-CG2 3.28Å; F123-V127 PolarHBondContact O-N 3.16Å; Y125-V127 VanDerWaalsContact C-N 3.29Å; Y125-V127 PolarHBondContact O-N 2.91Å; V127-K131 HydrophobicContact CG1-CD 4.16Å; V127-K131 WeakPolarHBondContact O-CB 3.33Å; V127-K131 VanDerWaalsContact O-CG 3.26Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 2.82Å; V127-K131 VanDerWaalsContact O-N 3.1Å |
| 128 | Q | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.8 | -44.4 | 175.7 | -75.3 | 173.8 | 74.7 | 0 | 0 | 111.9 | Y124 Y125 L126 K131 C132 | Y124-Q128 PolarHBondContact O-NE2 3.22Å; Y125-Q128 WeakPolarHBondContact O-CA 3.45Å; Y125-Q128 WeakPolarHBondContact O-CB 3.28Å; Y125-Q128 PolarHBondContact O-N 2.97Å; L126-Q128 PolarHBondContact O-N 2.74Å; Q128-K131 PolarHBondContact O-N 2.93Å; Q128-C132 WeakPolarHBondContact O-CB 3.46Å; Q128-C132 PolarHBondContact O-N 3.35Å |
| 129 | D | 98.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 36.5 Ų | 36.5 | 49% | 0.487 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 177.9 | -67.7 | -26.7 | 0 | 0 | 0 | 111.1 | I64 Y125 L126 K131 C132 L133 | I64-D129 HydrophobicContact CG2-CB 4.23Å; Y125-D129 PolarHBondContact O-N 2.84Å; L126-D129 PolarHBondContact O-N 3.32Å; L126-D129 VanDerWaalsContact O-N 3.15Å; D129-K131 PolarHBondContact O-N 3.21Å; D129-C132 WeakPolarHBondContact O-CB 3.39Å; D129-C132 PolarHBondContact O-N 3.48Å; D129-L133 PolarHBondContact O-N 3.22Å |
| 130 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.5 | -67.1 | 176 | 0 | 0 | 0 | 111.9 | L8 F25 L61 L89 L126 C132 L133 V134 | L8-L130 HydrophobicContact CD1-CD1 3.97Å; L8-L130 HydrophobicContact CD1-CD2 3.74Å; F25-L130 HydrophobicContact CE2-CB 4.2Å; F25-L130 HydrophobicContact CZ-CB 3.91Å; L61-L130 HydrophobicContact CD1-CD2 3.37Å; L89-L130 HydrophobicContact CD1-CD1 4.11Å; L126-L130 HydrophobicContact CD1-CD1 4.19Å; L126-L130 HydrophobicContact CD1-CD2 4.34Å; L126-L130 HydrophobicContact CD1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 4.39Å; L126-L130 HydrophobicContact CG-CD1 3.87Å; L126-L130 HydrophobicContact CG-CG 4.13Å; L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 3.06Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-C132 PolarHBondContact O-N 2.84Å; L130-L133 PolarHBondContact O-N 3.18Å; L130-V134 WeakPolarHBondContact O-CB 3.36Å; L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.33Å; L130-V134 PolarHBondContact O-N 2.99Å |
| 131 | K | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 21% | 0.213 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.5 | -79.3 | 172.5 | -174.9 | 164.4 | 0 | 111.6 | Y10 F25 V127 Q128 D129 L133 V134 F135 | Y10-K131 WeakPolarHBondContact OH-CE 3.44Å; Y10-K131 PolarHBondContact OH-NZ 2.93Å; F25-K131 HydrophobicContact CE1-CG 4.05Å; F25-K131 HydrophobicContact CZ-CG 4.45Å; V127-K131 HydrophobicContact CG1-CD 4.16Å; V127-K131 WeakPolarHBondContact O-CB 3.33Å; V127-K131 VanDerWaalsContact O-CG 3.26Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 2.82Å; V127-K131 VanDerWaalsContact O-N 3.1Å; Q128-K131 PolarHBondContact O-N 2.93Å; D129-K131 PolarHBondContact O-N 3.21Å; K131-L133 PolarHBondContact O-N 3.2Å; K131-V134 PolarHBondContact O-N 3.38Å; K131-F135 HydrophobicContact CB-CD2 4.34Å; K131-F135 HydrophobicContact CB-CE2 3.97Å; K131-F135 HydrophobicContact CB-CZ 4.21Å; K131-F135 HydrophobicContact CG-CE2 4.44Å; K131-F135 HydrophobicContact CG-CZ 4.25Å; K131-F135 VanDerWaalsContact O-CB 3.26Å; K131-F135 WeakPolarHBondContact O-CB 3.27Å; K131-F135 WeakPolarHBondContact O-CD2 3.37Å; K131-F135 WeakPolarHBondContact O-CG 3.11Å; K131-F135 PolarHBondContact O-N 3.42Å |
| 132 | C | 98 | Very high | 97.5 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 54% | 0.541 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | -179.5 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | Q128 D129 L130 S136 | Q128-C132 WeakPolarHBondContact O-CB 3.46Å; Q128-C132 PolarHBondContact O-N 3.35Å; D129-C132 WeakPolarHBondContact O-CB 3.39Å; D129-C132 PolarHBondContact O-N 3.48Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-C132 PolarHBondContact O-N 2.84Å; C132-S136 WeakPolarHBondContact O-CB 3.27Å; C132-S136 PolarHBondContact O-N 2.95Å; C132-S136 VanDerWaalsContact O-N 3.08Å; C132-S136 PolarHBondContact O-OG 2.71Å |
| 133 | L | 98.2 | Very high | 97 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 174.7 | 178.7 | 59.7 | 0 | 0 | 0 | 111.8 | L61 I64 D129 L130 K131 F135 S136 L137 | L61-L133 HydrophobicContact CD1-CD2 3.83Å; I64-L133 HydrophobicContact CD1-CD2 4.28Å; D129-L133 PolarHBondContact O-N 3.22Å; L130-L133 PolarHBondContact O-N 3.18Å; K131-L133 PolarHBondContact O-N 3.2Å; L133-F135 PolarHBondContact O-N 3.47Å; L133-S136 WeakPolarHBondContact O-CB 3.41Å; L133-S136 PolarHBondContact O-N 3.41Å; L133-L137 HydrophobicContact CD1-CD1 4.17Å; L133-L137 HydrophobicContact CD1-CG 4.3Å; L133-L137 HydrophobicContact CG-CD1 4.11Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3Å |
| 134 | V | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | -178.2 | 171 | 0 | 0 | 0 | 0 | 111.8 | F25 F27 Y35 L130 K131 S136 L137 I138 | F25-V134 HydrophobicContact CB-CG1 4.07Å; F25-V134 HydrophobicContact CB-CG2 4.48Å; F25-V134 HydrophobicContact CD1-CB 4.35Å; F25-V134 HydrophobicContact CD1-CG1 3.99Å; F25-V134 HydrophobicContact CD1-CG2 4.21Å; F25-V134 HydrophobicContact CD2-CG2 3.71Å; F25-V134 HydrophobicContact CE1-CG2 4.34Å; F25-V134 HydrophobicContact CE2-CG2 3.85Å; F25-V134 HydrophobicContact CG-CB 4.41Å; F25-V134 HydrophobicContact CG-CG1 4.01Å; F25-V134 HydrophobicContact CG-CG2 3.88Å; F25-V134 HydrophobicContact CZ-CG2 4.17Å; F27-V134 HydrophobicContact CE2-CG2 3.6Å; F27-V134 HydrophobicContact CZ-CG2 3.83Å; Y35-V134 HydrophobicContact CD2-CG1 3.85Å; Y35-V134 HydrophobicContact CE2-CG1 4.34Å; L130-V134 WeakPolarHBondContact O-CB 3.36Å; L130-V134 VanDerWaalsContact O-CG2 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.33Å; L130-V134 PolarHBondContact O-N 2.99Å; K131-V134 PolarHBondContact O-N 3.38Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.79Å; V134-L137 PolarHBondContact O-N 2.93Å; V134-I138 HydrophobicContact CG1-CG1 4.1Å; V134-I138 WeakPolarHBondContact O-CB 3.33Å; V134-I138 VanDerWaalsContact O-CG1 3.29Å; V134-I138 WeakPolarHBondContact O-CG1 3.29Å; V134-I138 PolarHBondContact O-N 2.76Å |
| 135 | F | 97.3 | Very high | 95 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 20% | 0.197 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 178.1 | -66.2 | -16.1 | 0 | 0 | 0 | 112.1 | L23 Y35 K131 L133 G139 P146 I147 | L23-F135 HydrophobicContact CD1-CE1 4.26Å; L23-F135 HydrophobicContact CD2-CE1 3.83Å; L23-F135 HydrophobicContact CD2-CZ 3.68Å; Y35-F135 HydrophobicContact CE2-CD1 4.33Å; Y35-F135 HydrophobicContact CE2-CE1 4.14Å; K131-F135 HydrophobicContact CB-CD2 4.34Å; K131-F135 HydrophobicContact CB-CE2 3.97Å; K131-F135 HydrophobicContact CB-CZ 4.21Å; K131-F135 HydrophobicContact CG-CE2 4.44Å; K131-F135 HydrophobicContact CG-CZ 4.25Å; K131-F135 VanDerWaalsContact O-CB 3.26Å; K131-F135 WeakPolarHBondContact O-CB 3.27Å; K131-F135 WeakPolarHBondContact O-CD2 3.37Å; K131-F135 WeakPolarHBondContact O-CG 3.11Å; K131-F135 PolarHBondContact O-N 3.42Å; L133-F135 PolarHBondContact O-N 3.47Å; F135-G139 WeakPolarHBondContact O-CA 3.5Å; F135-G139 PolarHBondContact O-N 3.11Å; F135-P146 HydrophobicContact CB-CB 4.03Å; F135-P146 HydrophobicContact CB-CG 4Å; F135-P146 HydrophobicContact CD1-CB 3.71Å; F135-P146 HydrophobicContact CE1-CB 4.35Å; F135-P146 HydrophobicContact CG-CB 3.9Å; F135-P146 HydrophobicContact CG-CG 4.43Å; F135-P146 WeakPolarHBondContact O-CG 3.35Å; F135-I147 HydrophobicContact CE2-CD1 4.15Å; F135-I147 HydrophobicContact CE2-CG1 4.45Å |
| 136 | S | 97.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 174.4 | -60 | 0 | 0 | 0 | 0 | 111.4 | C132 L133 V134 L140 | C132-S136 WeakPolarHBondContact O-CB 3.27Å; C132-S136 PolarHBondContact O-N 2.95Å; C132-S136 VanDerWaalsContact O-N 3.08Å; C132-S136 PolarHBondContact O-OG 2.71Å; L133-S136 WeakPolarHBondContact O-CB 3.41Å; L133-S136 PolarHBondContact O-N 3.41Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.79Å; S136-L140 VanDerWaalsContact O-CB 3.29Å; S136-L140 WeakPolarHBondContact O-CB 3.16Å; S136-L140 VanDerWaalsContact O-CG 3.27Å; S136-L140 WeakPolarHBondContact O-CG 3.23Å; S136-L140 PolarHBondContact O-N 2.91Å |
| 137 | L | 97.6 | Very high | 91.8 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 177.8 | -69.4 | 170.5 | 0 | 0 | 0 | 111.7 | F27 L33 V53 V57 L133 V134 H141 | F27-L137 HydrophobicContact CE1-CD1 4.33Å; F27-L137 HydrophobicContact CZ-CD1 4.18Å; L33-L137 HydrophobicContact CD2-CB 4.21Å; L33-L137 HydrophobicContact CD2-CD1 4.11Å; V53-L137 HydrophobicContact CG1-CD1 4.34Å; V57-L137 HydrophobicContact CG1-CD1 3.97Å; L133-L137 HydrophobicContact CD1-CD1 4.17Å; L133-L137 HydrophobicContact CD1-CG 4.3Å; L133-L137 HydrophobicContact CG-CD1 4.11Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3Å; V134-L137 PolarHBondContact O-N 2.93Å; L137-H141 WeakPolarHBondContact O-CB 3.48Å; L137-H141 PolarHBondContact O-N 3.14Å |
| 138 | I | 96.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67 | -44.3 | -178.4 | -65.2 | -61.3 | 0 | 0 | 0 | 111.2 | L33 Y35 K49 V134 F142 I144 | L33-I138 HydrophobicContact CD2-CD1 3.93Å; L33-I138 HydrophobicContact CD2-CG1 4.38Å; L33-I138 HydrophobicContact CG-CD1 4.41Å; Y35-I138 HydrophobicContact CD1-CG2 4.38Å; Y35-I138 HydrophobicContact CD2-CG1 4.02Å; Y35-I138 HydrophobicContact CE1-CG2 4.47Å; Y35-I138 HydrophobicContact CG-CD1 4.17Å; Y35-I138 HydrophobicContact CG-CG1 4.01Å; K49-I138 HydrophobicContact CB-CD1 4.22Å; V134-I138 HydrophobicContact CG1-CG1 4.1Å; V134-I138 WeakPolarHBondContact O-CB 3.33Å; V134-I138 VanDerWaalsContact O-CG1 3.29Å; V134-I138 WeakPolarHBondContact O-CG1 3.29Å; V134-I138 PolarHBondContact O-N 2.76Å; I138-F142 HydrophobicContact CD1-CD2 4.06Å; I138-F142 HydrophobicContact CD1-CE2 3.83Å; I138-F142 HydrophobicContact CG2-CD2 4.17Å; I138-F142 WeakPolarHBondContact O-CB 3.16Å; I138-F142 PolarHBondContact O-N 3.28Å; I138-I144 HydrophobicContact CG2-CD1 3.63Å; I138-I144 HydrophobicContact CG2-CG1 3.91Å |
| 139 | G | 94.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 72.8 Ų | 72.8 | 19% | 0.186 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F135 K143 I144 | F135-G139 WeakPolarHBondContact O-CA 3.5Å; F135-G139 PolarHBondContact O-N 3.11Å; G139-K143 WeakPolarHBondContact O-CA 3.31Å; G139-K143 PolarHBondContact O-N 3.34Å; G139-I144 WeakPolarHBondContact CA-O 3.45Å |
| 140 | L | 95.8 | Very high | 90.7 | Very high | 146 Ų | 146 | 71.8 Ų | 71.8 | 76% | 0.764 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.6 | -41.7 | 179.2 | -69.1 | 171.2 | 0 | 0 | 0 | 112.3 | S136 | S136-L140 VanDerWaalsContact O-CB 3.29Å; S136-L140 WeakPolarHBondContact O-CB 3.16Å; S136-L140 VanDerWaalsContact O-CG 3.27Å; S136-L140 WeakPolarHBondContact O-CG 3.23Å; S136-L140 PolarHBondContact O-N 2.91Å |
| 141 | H | 96.4 | Very high | 90.2 | Very high | 130 Ų | 130 | 76 Ų | 76 | 60% | 0.602 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74 | -43.7 | -175.4 | -168 | 77.2 | 0 | 0 | 0 | 112.6 | L137 | L137-H141 WeakPolarHBondContact O-CB 3.48Å; L137-H141 PolarHBondContact O-N 3.14Å |
| 142 | F | 93.9 | Very high | 89.7 | Confident | 55 Ų | 55 | 77.7 Ų | 77.7 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -100.5 | -6 | -175.6 | -63.3 | -71.9 | 0 | 0 | 0 | 114.4 | K49 E50 A51 I138 I144 | K49-F142 HydrophobicContact CB-CD2 3.99Å; K49-F142 HydrophobicContact CB-CE2 3.63Å; K49-F142 HydrophobicContact CB-CZ 3.96Å; K49-F142 HydrophobicContact CD-CB 4.4Å; K49-F142 HydrophobicContact CD-CD1 3.77Å; K49-F142 HydrophobicContact CD-CD2 4.03Å; K49-F142 HydrophobicContact CD-CE1 3.95Å; K49-F142 HydrophobicContact CD-CE2 4.21Å; K49-F142 HydrophobicContact CD-CG 3.8Å; K49-F142 HydrophobicContact CD-CZ 4.16Å; K49-F142 HydrophobicContact CG-CD2 3.96Å; K49-F142 HydrophobicContact CG-CE2 4.11Å; K49-F142 HydrophobicContact CG-CG 4.21Å; K49-F142 HydrophobicContact CG-CZ 4.46Å; E50-F142 WeakPolarHBondContact O-CZ 3.45Å; A51-F142 HydrophobicContact CB-CE2 4.31Å; A51-F142 HydrophobicContact CB-CZ 4.13Å; I138-F142 HydrophobicContact CD1-CD2 4.06Å; I138-F142 HydrophobicContact CD1-CE2 3.83Å; I138-F142 HydrophobicContact CG2-CD2 4.17Å; I138-F142 WeakPolarHBondContact O-CB 3.16Å; I138-F142 PolarHBondContact O-N 3.28Å; F142-I144 HydrophobicContact CB-CD1 4.4Å; F142-I144 HydrophobicContact CB-CG1 4.17Å; F142-I144 HydrophobicContact CB-CG2 4.2Å; F142-I144 PolarHBondContact O-N 3.47Å |
| 143 | K | 87.8 | Confident | 89.2 | Confident | 193 Ų | 193 | 77.5 Ų | 77.5 | 84% | 0.839 | 39% | 0.387 | S | S | * | . | trans | 54.9 | 38.1 | -176.4 | -57.2 | -178.4 | 179.6 | 179.2 | 0 | 112.9 | G139 | G139-K143 WeakPolarHBondContact O-CA 3.31Å; G139-K143 PolarHBondContact O-N 3.34Å | ||
| 144 | I | 79.1 | Confident | 88.5 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 23% | 0.226 | 40% | 0.399 | C | S | . | . | trans | -108.1 | 151.2 | 175.9 | 65.1 | 176 | 0 | 0 | 0 | 110 | I47 K49 I138 G139 F142 P146 | I47-I144 HydrophobicContact CG2-CD1 3.96Å; K49-I144 HydrophobicContact CG-CD1 4.12Å; I138-I144 HydrophobicContact CG2-CD1 3.63Å; I138-I144 HydrophobicContact CG2-CG1 3.91Å; G139-I144 WeakPolarHBondContact CA-O 3.45Å; F142-I144 HydrophobicContact CB-CD1 4.4Å; F142-I144 HydrophobicContact CB-CG1 4.17Å; F142-I144 HydrophobicContact CB-CG2 4.2Å; F142-I144 PolarHBondContact O-N 3.47Å; I144-P146 VanDerWaalsContact O-CD 3.27Å; I144-P146 WeakPolarHBondContact O-CD 3.22Å | ||
| 145 | K | 76.8 | Confident | 87.8 | Confident | 178 Ų | 178 | 86.2 Ų | 86.2 | 77% | 0.774 | 43% | 0.429 | S | S | * | . | trans | -73.9 | 120.5 | 163.5 | -70.9 | -172.1 | 177.2 | -177.1 | 0 | 107.6 | I147 | K145-I147 WeakPolarHBondContact CB-O 3.14Å; K145-I147 PolarHBondContact O-N 3.32Å; K145-I147 VanDerWaalsContact O-N 3.16Å | ||
| 146 | P | 67.9 | Low | 87 | Confident | 27 Ų | 27 | 89.7 Ų | 89.7 | 18% | 0.175 | 45% | 0.449 | C | S | . | . | trans | -70.3 | -4.8 | 179.9 | -18.6 | 33.5 | 0 | 0 | 0 | 113.6 | Y35 N37 F135 I144 | Y35-P146 PolarHBondContact OH-O 3.03Å; Y35-P146 VanDerWaalsContact OH-O 3.08Å; N37-P146 PolarHBondContact ND2-O 3.1Å; F135-P146 HydrophobicContact CB-CB 4.03Å; F135-P146 HydrophobicContact CB-CG 4Å; F135-P146 HydrophobicContact CD1-CB 3.71Å; F135-P146 HydrophobicContact CE1-CB 4.35Å; F135-P146 HydrophobicContact CG-CB 3.9Å; F135-P146 HydrophobicContact CG-CG 4.43Å; F135-P146 WeakPolarHBondContact O-CG 3.35Å; I144-P146 VanDerWaalsContact O-CD 3.27Å; I144-P146 WeakPolarHBondContact O-CD 3.22Å | ||
| 147 | I | 60.3 | Low | 86 | Confident | 179 Ų | 179 | 92.5 Ų | 92.5 | 92% | 0.918 | 45% | 0.452 | S | S | * | . | trans | -140.1 | 0 | -176.8 | -50 | 175.3 | 0 | 0 | 0 | 108.8 | F135 K145 | F135-I147 HydrophobicContact CE2-CD1 4.15Å; F135-I147 HydrophobicContact CE2-CG1 4.45Å; K145-I147 WeakPolarHBondContact CB-O 3.14Å; K145-I147 PolarHBondContact O-N 3.32Å; K145-I147 VanDerWaalsContact O-N 3.16Å |
Retrieved 147 of 147 residues in 750.7 ms
(Link to these results)