| 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 | 39.9 | Very low | 31.6 | Very low | 248 Ų | 248 | 157.7 Ų | 157.7 | 100% | 1.222 | 81% | 0.813 | S | S | * | * | 0 | 104.1 | 0 | -73.1 | 170.6 | 170.2 | 0 | 0 | 107.3 | |||||
| 2 | S | 41.8 | Very low | 31 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 120.6 | -179.1 | -87 | 0 | 0 | 0 | 0 | 110.4 | C4 | S2-C4 PolarHBondContact O-N 3.19Š|
| 3 | A | 39.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 152.2 Ų | 152.2 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P5 | A3-P5 WeakPolarHBondContact O-CD 3.38Š|
| 4 | C | 33.4 | Very low | 30.8 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.5 | 171.7 | -70.9 | 0 | 0 | 0 | 0 | 109.3 | S2 R6 | S2-C4 PolarHBondContact O-N 3.19Å; C4-R6 PolarHBondContact O-N 3.06Å |
| 5 | P | 33.8 | Very low | 30.5 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132.1 | 177.8 | -10 | 22 | 0 | 0 | 0 | 110.3 | A3 Y7 | A3-P5 WeakPolarHBondContact O-CD 3.38Å; P5-Y7 HydrophobicContact CB-CD1 4.39Å; P5-Y7 HydrophobicContact CB-CE1 3.7Å; P5-Y7 HydrophobicContact CG-CE1 4.19Å; P5-Y7 VanDerWaalsContact O-CE2 3.26Å; P5-Y7 WeakPolarHBondContact O-CE2 3.08Å |
| 6 | R | 31.6 | Very low | 30.2 | Very low | 228 Ų | 228 | 137.8 Ų | 137.8 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -86.1 | 112 | 170.5 | -78.3 | -177.4 | 178 | 146.1 | -1.4 | 108.9 | C4 | C4-R6 PolarHBondContact O-N 3.06Š| ||
| 7 | Y | 27.9 | Very low | 30.1 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 73% | 0.725 | 74% | 0.735 | S | S | * | * | trans | -89.8 | 127.1 | 173.2 | -30.5 | -81.4 | 0 | 0 | 0 | 108.9 | P5 | P5-Y7 HydrophobicContact CB-CD1 4.39Å; P5-Y7 HydrophobicContact CB-CE1 3.7Å; P5-Y7 HydrophobicContact CG-CE1 4.19Å; P5-Y7 VanDerWaalsContact O-CE2 3.26Å; P5-Y7 WeakPolarHBondContact O-CE2 3.08Å | ||
| 8 | W | 25.9 | Very low | 30 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | trans | -94.2 | 113.2 | 170.5 | -64.4 | 84.6 | 0 | 0 | 0 | 107.9 | K10 | W8-K10 PolarHBondContact O-N 3.1Š| ||
| 9 | V | 25.4 | Very low | 30 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | trans | -86.2 | 106.6 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | V11 | V9-V11 HydrophobicContact CG1-CG2 4.33Å; V9-V11 PolarHBondContact O-N 3.38Å; V9-V11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | K | 22.7 | Very low | 30 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | -72.4 | 103.6 | 170.5 | -164.9 | -173.1 | -175.6 | -165.6 | 0 | 107.7 | W8 E12 | W8-K10 PolarHBondContact O-N 3.1Å; K10-E12 VanDerWaalsContact C-N 3.35Å; K10-E12 HydrophobicContact CD-CG 4.01Å; K10-E12 VanDerWaalsContact CE-OE1 3.24Å; K10-E12 WeakPolarHBondContact CE-OE1 3.43Å; K10-E12 HydrophobicContact CG-CG 4.13Å; K10-E12 IonicContact NZ-OE1 2.68Å; K10-E12 PolarHBondContact NZ-OE1 3.14Å; K10-E12 PolarHBondContact O-N 3.04Å; K10-E12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | V | 25.7 | Very low | 30.2 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | trans | -80.7 | 88.9 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | V9 T13 | V9-V11 HydrophobicContact CG1-CG2 4.33Å; V9-V11 PolarHBondContact O-N 3.38Å; V9-V11 VanDerWaalsContact O-N 3.16Å; V11-T13 PolarHBondContact O-N 3.42Å | ||
| 12 | E | 24.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 58% | 0.579 | 68% | 0.683 | S | S | * | * | trans | -72.5 | 112 | 163.9 | -69 | -175.1 | 167.5 | 0 | 0 | 106.9 | K10 V14 | K10-E12 VanDerWaalsContact C-N 3.35Å; K10-E12 HydrophobicContact CD-CG 4.01Å; K10-E12 VanDerWaalsContact CE-OE1 3.24Å; K10-E12 WeakPolarHBondContact CE-OE1 3.43Å; K10-E12 HydrophobicContact CG-CG 4.13Å; K10-E12 IonicContact NZ-OE1 2.68Å; K10-E12 PolarHBondContact NZ-OE1 3.14Å; K10-E12 PolarHBondContact O-N 3.04Å; K10-E12 VanDerWaalsContact O-N 3.14Å; E12-V14 HydrophobicContact CB-CG2 4.24Å; E12-V14 PolarHBondContact O-N 3.39Å | ||
| 13 | T | 28.3 | Very low | 29.7 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | trans | -67.9 | 77.6 | 168.8 | 33.6 | 0 | 0 | 0 | 0 | 108.6 | V11 G15 | V11-T13 PolarHBondContact O-N 3.42Å; T13-G15 VanDerWaalsContact C-N 3.25Å; T13-G15 PolarHBondContact O-N 2.94Å | ||
| 14 | V | 30.6 | Very low | 29.7 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | trans | -67.8 | 90.1 | 167.6 | -174.8 | 0 | 0 | 0 | 0 | 106 | E12 | E12-V14 HydrophobicContact CB-CG2 4.24Å; E12-V14 PolarHBondContact O-N 3.39Å | ||
| 15 | G | 26.5 | Very low | 30.1 | Very low | 46 Ų | 46 | 124.1 Ų | 124.1 | 47% | 0.474 | 64% | 0.644 | S | S | . | * | trans | 39.4 | 84.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T13 N17 | T13-G15 VanDerWaalsContact C-N 3.25Å; T13-G15 PolarHBondContact O-N 2.94Å; G15-N17 PolarHBondContact O-N 2.91Å | ||
| 16 | A | 26.3 | Very low | 30.5 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 51% | 0.512 | 63% | 0.625 | S | S | . | * | trans | -57.8 | 100.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I18 | A16-I18 VanDerWaalsContact C-N 3.3Å; A16-I18 HydrophobicContact CB-CG1 4.32Å; A16-I18 PolarHBondContact O-N 3.11Å | ||
| 17 | N | 27.4 | Very low | 31.2 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 54% | 0.535 | 61% | 0.608 | S | S | . | * | trans | -69.1 | 95.9 | 160.9 | -82.7 | -57 | 0 | 0 | 0 | 106.1 | G15 G19 Q49 | G15-N17 PolarHBondContact O-N 2.91Å; N17-G19 PolarHBondContact O-N 2.75Å; N17-Q49 HydrophobicContact CB-CG 4.11Å; N17-Q49 PolarHBondContact ND2-NE2 2.98Å; N17-Q49 PolarHBondContact OD1-NE2 2.95Å | ||
| 18 | I | 29.2 | Very low | 32.1 | Very low | 94 Ų | 94 | 111.2 Ų | 111.2 | 48% | 0.482 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 88.2 | 172.2 | -56.5 | 175.2 | 0 | 0 | 0 | 105.7 | A16 F20 T50 | A16-I18 VanDerWaalsContact C-N 3.3Å; A16-I18 HydrophobicContact CB-CG1 4.32Å; A16-I18 PolarHBondContact O-N 3.11Å; I18-F20 HydrophobicContact CG2-CD2 3.94Å; I18-F20 HydrophobicContact CG2-CE2 3.5Å; I18-F20 VanDerWaalsContact CG2-CE2 3.5Å; I18-F20 HydrophobicContact CG2-CZ 4.2Å; I18-T50 PolarHBondContact N-O 3.12Å; I18-T50 PolarHBondContact O-N 3.25Å; I18-T50 PolarHBondContact O-OG1 3.43Å; I18-T50 VanDerWaalsContact O-OG1 3.12Å |
| 19 | G | 29.6 | Very low | 32.9 | Very low | 46 Ų | 46 | 101 Ų | 101 | 47% | 0.474 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N17 G21 I48 | N17-G19 PolarHBondContact O-N 2.75Å; G19-G21 VanDerWaalsContact C-N 3.33Å; G19-G21 PolarHBondContact O-N 3.3Å; G19-G21 VanDerWaalsContact O-N 3.09Å; G19-I48 WeakPolarHBondContact CA-O 3.45Å |
| 20 | F | 30.7 | Very low | 34 | Very low | 164 Ų | 164 | 100.6 Ų | 100.6 | 72% | 0.719 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 87.1 | 166.3 | -74.7 | -83.2 | 0 | 0 | 0 | 108.4 | I18 G47 I48 | I18-F20 HydrophobicContact CG2-CD2 3.94Å; I18-F20 HydrophobicContact CG2-CE2 3.5Å; I18-F20 VanDerWaalsContact CG2-CE2 3.5Å; I18-F20 HydrophobicContact CG2-CZ 4.2Å; F20-G47 WeakPolarHBondContact O-CA 3.34Å; F20-I48 PolarHBondContact N-O 2.71Å; F20-I48 PolarHBondContact O-N 2.71Å |
| 21 | G | 34.4 | Very low | 35.4 | Very low | 50 Ų | 50 | 99.2 Ų | 99.2 | 52% | 0.515 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G19 G23 R46 | G19-G21 VanDerWaalsContact C-N 3.33Å; G19-G21 PolarHBondContact O-N 3.3Å; G19-G21 VanDerWaalsContact O-N 3.09Å; G21-G23 PolarHBondContact O-N 3.07Å; G21-R46 CarbonylContact C-O 3.47Å; G21-R46 WeakPolarHBondContact CA-O 3.32Å |
| 22 | R | 32.7 | Very low | 36.5 | Very low | 232 Ų | 232 | 97.3 Ų | 97.3 | 88% | 0.875 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 88 | 159.9 | -77.3 | -170.7 | 175.7 | -171.4 | -0.8 | 107.4 | R46 | R22-R46 PolarHBondContact N-O 2.72Å; R22-R46 PolarHBondContact O-N 2.83Å; R22-R46 VanDerWaalsContact O-N 3.07Å |
| 23 | G | 37.4 | Very low | 37.5 | Very low | 32 Ų | 32 | 97.3 Ų | 97.3 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 143.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G21 E25 I44 | G21-G23 PolarHBondContact O-N 3.07Å; G23-E25 PolarHBondContact O-N 2.9Å; G23-I44 CarbonylContact C-O 3.56Å; G23-I44 WeakPolarHBondContact CA-O 3.33Å |
| 24 | I | 39.2 | Very low | 38.4 | Very low | 123 Ų | 123 | 94.2 Ų | 94.2 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 109.8 | 159.6 | -59.6 | 173.3 | 0 | 0 | 0 | 105 | S43 I44 | I24-S43 CarbonylContact O-C 3.55Å; I24-S43 VanDerWaalsContact O-CA 3.29Å; I24-S43 WeakPolarHBondContact O-CA 3.36Å; I24-I44 PolarHBondContact N-O 2.62Å; I24-I44 PolarHBondContact O-N 3.05Å |
| 25 | E | 42.3 | Very low | 38.7 | Very low | 154 Ų | 154 | 90.8 Ų | 90.8 | 72% | 0.72 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 133.6 | 168.9 | -68 | 179.6 | 179 | 0 | 0 | 109.2 | G23 P27 | G23-E25 PolarHBondContact O-N 2.9Å; E25-P27 WeakPolarHBondContact O-CD 3.47Å |
| 26 | L | 41.5 | Very low | 39.5 | Very low | 31 Ų | 31 | 97.7 Ų | 97.7 | 16% | 0.162 | 53% | 0.527 | C | S | . | . | trans | -108.3 | 74.6 | 173 | -62.3 | 164.8 | 0 | 0 | 0 | 107.7 | F28 L29 A42 I44 L70 | L26-F28 HydrophobicContact CB-CD1 4.27Å; L26-F28 HydrophobicContact CB-CE1 3.79Å; L26-F28 HydrophobicContact CB-CZ 4.13Å; L26-F28 HydrophobicContact CD2-CE1 3.48Å; L26-F28 VanDerWaalsContact CD2-CE1 3.48Å; L26-F28 HydrophobicContact CD2-CZ 3.89Å; L26-F28 HydrophobicContact CG-CE1 4.19Å; L26-F28 HydrophobicContact CG-CZ 4.45Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-F28 VanDerWaalsContact O-N 3.1Å; L26-L29 HydrophobicContact CB-CD1 3.68Å; L26-L29 HydrophobicContact CB-CG 3.95Å; L26-L29 HydrophobicContact CD1-CD1 3.8Å; L26-L29 HydrophobicContact CG-CD1 4.42Å; L26-L29 WeakPolarHBondContact O-CB 3.29Å; L26-L29 PolarHBondContact O-N 3.1Å; L26-A42 WeakPolarHBondContact CA-O 3.47Å; L26-A42 VanDerWaalsContact CB-O 3.3Å; L26-A42 WeakPolarHBondContact CB-O 3.21Å; L26-A42 PolarHBondContact N-O 3.09Å; L26-I44 HydrophobicContact CD1-CD1 3.8Å; L26-I44 HydrophobicContact CD1-CG1 3.78Å; L26-L70 HydrophobicContact CD1-CD2 3.59Å | ||
| 27 | P | 47 | Very low | 40.6 | Very low | 77 Ų | 77 | 101.9 Ų | 101.9 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -60.4 | -27.4 | -172.4 | 24.3 | -35.1 | 0 | 0 | 0 | 112.5 | E25 L29 Q30 | E25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-L29 PolarHBondContact O-N 2.73Å; P27-Q30 WeakPolarHBondContact O-CB 3.3Å; P27-Q30 PolarHBondContact O-N 2.9Å |
| 28 | F | 47.4 | Very low | 41.3 | Very low | 119 Ų | 119 | 101.4 Ų | 101.4 | 52% | 0.522 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -61.6 | -25.6 | 178.2 | 67.1 | -95.7 | 0 | 0 | 0 | 113.4 | L26 Q30 N31 | L26-F28 HydrophobicContact CB-CD1 4.27Å; L26-F28 HydrophobicContact CB-CE1 3.79Å; L26-F28 HydrophobicContact CB-CZ 4.13Å; L26-F28 HydrophobicContact CD2-CE1 3.48Å; L26-F28 VanDerWaalsContact CD2-CE1 3.48Å; L26-F28 HydrophobicContact CD2-CZ 3.89Å; L26-F28 HydrophobicContact CG-CE1 4.19Å; L26-F28 HydrophobicContact CG-CZ 4.45Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-F28 VanDerWaalsContact O-N 3.1Å; F28-Q30 PolarHBondContact O-N 2.89Å; F28-N31 WeakPolarHBondContact O-CB 3.28Å; F28-N31 PolarHBondContact O-N 2.96Å; F28-N31 VanDerWaalsContact O-N 3.14Å |
| 29 | L | 41.6 | Very low | 41.9 | Very low | 20 Ų | 20 | 97.6 Ų | 97.6 | 11% | 0.105 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -68 | -27.8 | 176.9 | -63 | 176.7 | 0 | 0 | 0 | 111.8 | L26 P27 N31 I32 M35 A42 L70 | L26-L29 HydrophobicContact CB-CD1 3.68Å; L26-L29 HydrophobicContact CB-CG 3.95Å; L26-L29 HydrophobicContact CD1-CD1 3.8Å; L26-L29 HydrophobicContact CG-CD1 4.42Å; L26-L29 WeakPolarHBondContact O-CB 3.29Å; L26-L29 PolarHBondContact O-N 3.1Å; P27-L29 PolarHBondContact O-N 2.73Å; L29-N31 PolarHBondContact O-N 2.84Å; L29-I32 PolarHBondContact O-N 2.62Å; L29-M35 HydrophobicContact CB-CE 3.61Å; L29-M35 HydrophobicContact CD2-CE 3.21Å; L29-M35 HydrophobicContact CG-CE 3.94Å; L29-A42 HydrophobicContact CB-CB 3.98Å; L29-A42 HydrophobicContact CD1-CB 4.13Å; L29-L70 HydrophobicContact CD1-CD1 4.31Å; L29-L70 HydrophobicContact CD1-CD2 3.24Å; L29-L70 HydrophobicContact CD1-CG 4.37Å |
| 30 | Q | 49.5 | Very low | 42.7 | Very low | 118 Ų | 118 | 99.3 Ų | 99.3 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -70.4 | -22.4 | 175.1 | -55.5 | -175.7 | 8.3 | 0 | 0 | 112.1 | P27 F28 A42 | P27-Q30 WeakPolarHBondContact O-CB 3.3Å; P27-Q30 PolarHBondContact O-N 2.9Å; F28-Q30 PolarHBondContact O-N 2.89Å; Q30-A42 HydrophobicContact CG-CB 4.31Å |
| 31 | N | 51.4 | Low | 43.2 | Very low | 137 Ų | 137 | 95.4 Ų | 95.4 | 73% | 0.733 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -84.5 | -7.7 | 178.8 | -68 | -23.4 | 0 | 0 | 0 | 113.4 | F28 L29 P33 | F28-N31 WeakPolarHBondContact O-CB 3.28Å; F28-N31 PolarHBondContact O-N 2.96Å; F28-N31 VanDerWaalsContact O-N 3.14Å; L29-N31 PolarHBondContact O-N 2.84Å; N31-P33 WeakPolarHBondContact O-CD 3.25Å |
| 32 | I | 49.6 | Very low | 43.6 | Very low | 77 Ų | 77 | 93.3 Ų | 93.3 | 40% | 0.395 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -86.8 | 117.4 | 177.2 | -51.8 | -166.2 | 0 | 0 | 0 | 109.1 | L29 G34 M35 | L29-I32 PolarHBondContact O-N 2.62Å; I32-G34 PolarHBondContact O-N 3.44Å; I32-M35 HydrophobicContact CB-CB 4.25Å; I32-M35 HydrophobicContact CB-CE 3.87Å; I32-M35 HydrophobicContact CB-CG 4.03Å; I32-M35 HydrophobicContact CB-SD 4.46Å; I32-M35 HydrophobicContact CD1-CE 3.6Å; I32-M35 HydrophobicContact CD1-SD 4.35Å; I32-M35 HydrophobicContact CG1-CE 3.92Å; I32-M35 HydrophobicContact CG2-CE 4.44Å; I32-M35 HydrophobicContact CG2-CG 3.93Å; I32-M35 HydrophobicContact CG2-SD 4.43Å; I32-M35 PolarHBondContact O-N 2.93Å; I32-M35 VanDerWaalsContact O-N 3.11Å |
| 33 | P | 45.3 | Very low | 44.1 | Very low | 124 Ų | 124 | 83 Ų | 83 | 81% | 0.805 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130.2 | 175.3 | -21.5 | 32.2 | 0 | 0 | 0 | 110.5 | N31 | N31-P33 WeakPolarHBondContact O-CD 3.25Š|
| 34 | G | 46.6 | Very low | 44.2 | Very low | 54 Ų | 54 | 85 Ų | 85 | 56% | 0.557 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -27.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I32 V38 | I32-G34 PolarHBondContact O-N 3.44Å; G34-V38 WeakPolarHBondContact O-CG2 3.5Å |
| 35 | M | 36.6 | Very low | 44.4 | Very low | 47 Ų | 47 | 79.5 Ų | 79.5 | 23% | 0.232 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -81.7 | -22.6 | 179.3 | -64.5 | -149.5 | -38.9 | 0 | 0 | 114.1 | L29 I32 N37 V38 I39 | L29-M35 HydrophobicContact CB-CE 3.61Å; L29-M35 HydrophobicContact CD2-CE 3.21Å; L29-M35 HydrophobicContact CG-CE 3.94Å; I32-M35 HydrophobicContact CB-CB 4.25Å; I32-M35 HydrophobicContact CB-CE 3.87Å; I32-M35 HydrophobicContact CB-CG 4.03Å; I32-M35 HydrophobicContact CB-SD 4.46Å; I32-M35 HydrophobicContact CD1-CE 3.6Å; I32-M35 HydrophobicContact CD1-SD 4.35Å; I32-M35 HydrophobicContact CG1-CE 3.92Å; I32-M35 HydrophobicContact CG2-CE 4.44Å; I32-M35 HydrophobicContact CG2-CG 3.93Å; I32-M35 HydrophobicContact CG2-SD 4.43Å; I32-M35 PolarHBondContact O-N 2.93Å; I32-M35 VanDerWaalsContact O-N 3.11Å; M35-N37 PolarHBondContact O-N 3.37Å; M35-N37 VanDerWaalsContact O-N 3.15Å; M35-V38 PolarHBondContact O-N 2.87Å; M35-I39 HydrophobicContact CE-CD1 4.25Å; M35-I39 PolarHBondContact O-N 2.97Å; M35-I39 HydrophobicContact SD-CD1 4.17Å |
| 36 | R | 43.6 | Very low | 44.2 | Very low | 190 Ų | 190 | 79.7 Ų | 79.7 | 72% | 0.717 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -55.1 | -32.9 | 176.8 | -167.9 | 178.9 | -177.6 | -171.5 | 1.6 | 113.1 | ||
| 37 | N | 49.6 | Very low | 44.3 | Very low | 151 Ų | 151 | 79.2 Ų | 79.2 | 81% | 0.807 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -87.4 | -18.9 | 178.8 | -66.1 | -14.9 | 0 | 0 | 0 | 113 | M35 | M35-N37 PolarHBondContact O-N 3.37Å; M35-N37 VanDerWaalsContact O-N 3.15Å |
| 38 | V | 41.6 | Very low | 44 | Very low | 89 Ų | 89 | 80.4 Ų | 80.4 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -37.8 | -176.3 | -178 | 0 | 0 | 0 | 0 | 111 | G34 M35 P40 | G34-V38 WeakPolarHBondContact O-CG2 3.5Å; M35-V38 PolarHBondContact O-N 2.87Å; V38-P40 WeakPolarHBondContact O-CD 3.12Å |
| 39 | I | 42.8 | Very low | 43.9 | Very low | 15 Ų | 15 | 78 Ų | 78 | 8% | 0.077 | 42% | 0.417 | C | S | . | . | trans | -121.5 | 80.3 | -176 | -57 | 163.6 | 0 | 0 | 0 | 108.1 | M35 D41 A42 L70 | M35-I39 HydrophobicContact CE-CD1 4.25Å; M35-I39 PolarHBondContact O-N 2.97Å; M35-I39 HydrophobicContact SD-CD1 4.17Å; I39-D41 WeakPolarHBondContact CG2-O 3.43Å; I39-D41 PolarHBondContact O-N 3.15Å; I39-A42 HydrophobicContact CG2-CB 4.01Å; I39-L70 HydrophobicContact CD1-CB 4.31Å; I39-L70 HydrophobicContact CD1-CD1 4.17Å; I39-L70 HydrophobicContact CG1-CB 4.38Å; I39-L70 HydrophobicContact CG2-CB 3.96Å; I39-L70 HydrophobicContact CG2-CD2 4.44Å; I39-L70 WeakPolarHBondContact CG2-O 3.33Å | ||
| 40 | P | 45.3 | Very low | 43.8 | Very low | 82 Ų | 82 | 78.7 Ų | 78.7 | 53% | 0.532 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -69.4 | -21 | 177.4 | 29.1 | -36.4 | 0 | 0 | 0 | 112.4 | V38 | V38-P40 WeakPolarHBondContact O-CD 3.12Š|
| 41 | D | 42.4 | Very low | 43.4 | Very low | 81 Ų | 81 | 73.7 Ų | 73.7 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | trans | -119.8 | 86.3 | 173.5 | -165.3 | -12.7 | 0 | 0 | 0 | 108.4 | I39 S43 L70 | I39-D41 WeakPolarHBondContact CG2-O 3.43Å; I39-D41 PolarHBondContact O-N 3.15Å; D41-S43 PolarHBondContact O-N 3.48Å; D41-S43 WeakPolarHBondContact OD1-CB 3.37Å; D41-S43 PolarHBondContact OD1-N 3.44Å; D41-S43 PolarHBondContact OD1-OG 2.79Å; D41-L70 CarbonylContact O-C 3.46Å | ||
| 42 | A | 41.5 | Very low | 42.9 | Very low | 6 Ų | 6 | 74 Ų | 74 | 5% | 0.05 | 40% | 0.398 | C | S | . | . | trans | -75.4 | 37.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L26 L29 Q30 I39 | L26-A42 WeakPolarHBondContact CA-O 3.47Å; L26-A42 VanDerWaalsContact CB-O 3.3Å; L26-A42 WeakPolarHBondContact CB-O 3.21Å; L26-A42 PolarHBondContact N-O 3.09Å; L29-A42 HydrophobicContact CB-CB 3.98Å; L29-A42 HydrophobicContact CD1-CB 4.13Å; Q30-A42 HydrophobicContact CG-CB 4.31Å; I39-A42 HydrophobicContact CG2-CB 4.01Å | ||
| 43 | S | 43.1 | Very low | 42.8 | Very low | 15 Ų | 15 | 73 Ų | 73 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.8 | 176.1 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | I24 D41 L70 | I24-S43 CarbonylContact O-C 3.55Å; I24-S43 VanDerWaalsContact O-CA 3.29Å; I24-S43 WeakPolarHBondContact O-CA 3.36Å; D41-S43 PolarHBondContact O-N 3.48Å; D41-S43 WeakPolarHBondContact OD1-CB 3.37Å; D41-S43 PolarHBondContact OD1-N 3.44Å; D41-S43 PolarHBondContact OD1-OG 2.79Å; S43-L70 PolarHBondContact O-N 3.18Å |
| 44 | I | 40.5 | Very low | 42.6 | Very low | 74 Ų | 74 | 72.4 Ų | 72.4 | 38% | 0.379 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 92.5 | 157.7 | -63.9 | 173.6 | 0 | 0 | 0 | 106 | G23 I24 L26 N68 | G23-I44 CarbonylContact C-O 3.56Å; G23-I44 WeakPolarHBondContact CA-O 3.33Å; I24-I44 PolarHBondContact N-O 2.62Å; I24-I44 PolarHBondContact O-N 3.05Å; L26-I44 HydrophobicContact CD1-CD1 3.8Å; L26-I44 HydrophobicContact CD1-CG1 3.78Å; I44-N68 CarbonylContact C-O 3.45Å; I44-N68 VanDerWaalsContact CA-O 3.25Å; I44-N68 WeakPolarHBondContact CA-O 3.24Å |
| 45 | G | 42.4 | Very low | 42.5 | Very low | 9 Ų | 9 | 75.3 Ų | 75.3 | 9% | 0.093 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R67 N68 | G45-R67 CarbonylContact O-C 3.45Å; G45-R67 WeakPolarHBondContact O-CA 3.41Å; G45-N68 PolarHBondContact N-O 3.09Å; G45-N68 PolarHBondContact O-N 2.79Å |
| 46 | R | 37.9 | Very low | 42.8 | Very low | 157 Ų | 157 | 79.5 Ų | 79.5 | 59% | 0.592 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.3 | 141.2 | -68.4 | -157.5 | -173.8 | 179.8 | 10.8 | 107.4 | G21 R22 G66 R67 | G21-R46 CarbonylContact C-O 3.47Å; G21-R46 WeakPolarHBondContact CA-O 3.32Å; R22-R46 PolarHBondContact N-O 2.72Å; R22-R46 PolarHBondContact O-N 2.83Å; R22-R46 VanDerWaalsContact O-N 3.07Å; R46-G66 CarbonylContact C-O 3.49Å; R46-G66 VanDerWaalsContact CA-O 3.28Å; R46-G66 WeakPolarHBondContact CA-O 3.38Å; R46-R67 HydrophobicContact CG-CG 4.06Å; R46-R67 VanDerWaalsContact CZ-NH2 3.32Å; R46-R67 VanDerWaalsContact NH2-CZ 3.32Å |
| 47 | G | 44 | Very low | 42.9 | Very low | 21 Ų | 21 | 72.4 Ų | 72.4 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F20 G65 G66 | F20-G47 WeakPolarHBondContact O-CA 3.34Å; G47-G65 CarbonylContact O-C 3.53Å; G47-G65 WeakPolarHBondContact O-CA 3.34Å; G47-G66 PolarHBondContact N-O 2.68Å; G47-G66 PolarHBondContact O-N 3.18Å |
| 48 | I | 40.8 | Very low | 42.6 | Very low | 102 Ų | 102 | 71 Ų | 71 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 105.7 | 163.7 | -57.1 | 172.3 | 0 | 0 | 0 | 105.7 | G19 F20 T50 S64 | G19-I48 WeakPolarHBondContact CA-O 3.45Å; F20-I48 PolarHBondContact N-O 2.71Å; F20-I48 PolarHBondContact O-N 2.71Å; I48-T50 HydrophobicContact CG2-CG2 4.07Å; I48-S64 CarbonylContact C-O 3.28Å |
| 49 | Q | 46.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 73 Ų | 73 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 110.2 | 169.9 | 178.7 | 174.4 | -18.7 | 0 | 0 | 108.9 | N17 L63 S64 | N17-Q49 HydrophobicContact CB-CG 4.11Å; N17-Q49 PolarHBondContact ND2-NE2 2.98Å; N17-Q49 PolarHBondContact OD1-NE2 2.95Å; Q49-L63 CarbonylContact O-C 3.48Å; Q49-L63 VanDerWaalsContact O-CA 3.32Å; Q49-L63 WeakPolarHBondContact O-CA 2.97Å; Q49-S64 WeakPolarHBondContact CB-OG 3.33Å; Q49-S64 PolarHBondContact N-O 3.05Å; Q49-S64 PolarHBondContact O-N 3.25Å |
| 50 | T | 37.9 | Very low | 43.1 | Very low | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.5 | 167.5 | 70.8 | 0 | 0 | 0 | 0 | 107.2 | I18 I48 G62 L63 | I18-T50 PolarHBondContact N-O 3.12Å; I18-T50 PolarHBondContact O-N 3.25Å; I18-T50 PolarHBondContact O-OG1 3.43Å; I18-T50 VanDerWaalsContact O-OG1 3.12Å; I48-T50 HydrophobicContact CG2-CG2 4.07Å; T50-G62 CarbonylContact C-O 3.37Å; T50-G62 VanDerWaalsContact CA-O 3.27Å; T50-G62 WeakPolarHBondContact CA-O 3.19Å; T50-L63 HydrophobicContact CG2-CD2 3.19Å |
| 51 | G | 41.8 | Very low | 43.2 | Very low | 13 Ų | 13 | 74.6 Ų | 74.6 | 13% | 0.134 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F61 G62 | G51-F61 CarbonylContact O-C 3.45Å; G51-F61 WeakPolarHBondContact O-CA 3.3Å; G51-G62 PolarHBondContact N-O 3.02Å; G51-G62 PolarHBondContact O-N 3.18Å |
| 52 | F | 40.6 | Very low | 43.4 | Very low | 142 Ų | 142 | 71.6 Ų | 71.6 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 109.9 | 161.6 | -66.9 | -87.3 | 0 | 0 | 0 | 106.7 | T54 G60 F61 | F52-T54 HydrophobicContact CB-CG2 4.4Å; F52-G60 CarbonylContact C-O 3.4Å; F52-G60 VanDerWaalsContact CA-O 3.3Å; F52-G60 WeakPolarHBondContact CA-O 3.12Å; F52-F61 HydrophobicContact CD1-CB 3.93Å; F52-F61 HydrophobicContact CE1-CB 3.83Å |
| 53 | N | 47.5 | Very low | 43.7 | Very low | 56 Ų | 56 | 75.5 Ų | 75.5 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.2 | 164.1 | -167 | 6 | 0 | 0 | 0 | 107 | Q55 Q58 Q59 G60 | N53-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N53-Q55 VanDerWaalsContact OD1-CG 3.25Å; N53-Q55 WeakPolarHBondContact OD1-CG 3.38Å; N53-Q55 PolarHBondContact OD1-N 2.82Å; N53-Q58 CarbonylContact C-O 3.25Å; N53-Q58 PolarHBondContact ND2-OE1 3.42Å; N53-Q59 CarbonylContact O-C 3.41Å; N53-Q59 VanDerWaalsContact O-CA 3.26Å; N53-Q59 WeakPolarHBondContact O-CA 2.75Å; N53-G60 PolarHBondContact N-O 2.74Å; N53-G60 PolarHBondContact O-N 2.72Å |
| 54 | T | 42.1 | Very low | 44.1 | Very low | 112 Ų | 112 | 75.9 Ų | 75.9 | 69% | 0.687 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 17.2 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | F52 | F52-T54 HydrophobicContact CB-CG2 4.4Å |
| 55 | Q | 44.6 | Very low | 44.5 | Very low | 116 Ų | 116 | 73.7 Ų | 73.7 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 136.6 | 178.7 | -75.3 | 177.9 | 9.5 | 0 | 0 | 110 | N53 G57 Q58 | N53-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N53-Q55 VanDerWaalsContact OD1-CG 3.25Å; N53-Q55 WeakPolarHBondContact OD1-CG 3.38Å; N53-Q55 PolarHBondContact OD1-N 2.82Å; Q55-G57 PolarHBondContact O-N 2.69Å; Q55-Q58 CarbonylContact O-C 3.48Å; Q55-Q58 VanDerWaalsContact O-C 3.26Å; Q55-Q58 PolarHBondContact O-N 2.72Å |
| 56 | P | 42.7 | Very low | 45 | Very low | 134 Ų | 134 | 73.9 Ų | 73.9 | 87% | 0.87 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 123.9 | 172.9 | -23.8 | 32.5 | 0 | 0 | 0 | 110.4 | ||
| 57 | G | 45 | Very low | 45.6 | Very low | 41 Ų | 41 | 72.7 Ų | 72.7 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -15.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q55 D84 G85 | Q55-G57 PolarHBondContact O-N 2.69Å; G57-D84 WeakPolarHBondContact O-CA 3.43Å; G57-G85 PolarHBondContact O-N 2.74Å |
| 58 | Q | 43.7 | Very low | 45.9 | Very low | 123 Ų | 123 | 74.7 Ų | 74.7 | 58% | 0.575 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 79.5 | 174.8 | -67.3 | -170.2 | 1.4 | 0 | 0 | 110.3 | N53 Q55 | N53-Q58 CarbonylContact C-O 3.25Å; N53-Q58 PolarHBondContact ND2-OE1 3.42Å; Q55-Q58 CarbonylContact O-C 3.48Å; Q55-Q58 VanDerWaalsContact O-C 3.26Å; Q55-Q58 PolarHBondContact O-N 2.72Å |
| 59 | Q | 45.3 | Very low | 46.2 | Very low | 130 Ų | 130 | 72.6 Ų | 72.6 | 61% | 0.607 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 108.1 | 170.5 | -70.2 | -175 | 10 | 0 | 0 | 109 | N53 G82 A83 | N53-Q59 CarbonylContact O-C 3.41Å; N53-Q59 VanDerWaalsContact O-CA 3.26Å; N53-Q59 WeakPolarHBondContact O-CA 2.75Å; Q59-G82 CarbonylContact O-C 3.48Å; Q59-G82 VanDerWaalsContact O-C 3.25Å; Q59-G82 WeakPolarHBondContact O-CA 3.3Å; Q59-A83 CarbonylContact C-O 3.46Å; Q59-A83 PolarHBondContact N-O 2.8Å; Q59-A83 PolarHBondContact O-N 2.77Å |
| 60 | G | 49.7 | Very low | 46.2 | Very low | 17 Ų | 17 | 71.1 Ų | 71.1 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 151.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F52 N53 G81 G82 | F52-G60 CarbonylContact C-O 3.4Å; F52-G60 VanDerWaalsContact CA-O 3.3Å; F52-G60 WeakPolarHBondContact CA-O 3.12Å; N53-G60 PolarHBondContact N-O 2.74Å; N53-G60 PolarHBondContact O-N 2.72Å; G60-G81 CarbonylContact C-O 3.46Å; G60-G81 WeakPolarHBondContact CA-O 3.34Å; G60-G82 VanDerWaalsContact CA-CA 3.41Å |
| 61 | F | 46.3 | Very low | 46.7 | Very low | 113 Ų | 113 | 70.2 Ų | 70.2 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 145.1 | 166.3 | 63.1 | -87.1 | 0 | 0 | 0 | 109.2 | G51 F52 G80 G81 | G51-F61 CarbonylContact O-C 3.45Å; G51-F61 WeakPolarHBondContact O-CA 3.3Å; F52-F61 HydrophobicContact CD1-CB 3.93Å; F52-F61 HydrophobicContact CE1-CB 3.83Å; F61-G80 CarbonylContact O-C 3.56Å; F61-G80 WeakPolarHBondContact O-CA 3.37Å; F61-G81 WeakPolarHBondContact CD1-O 3.3Å; F61-G81 PolarHBondContact N-O 2.85Å; F61-G81 PolarHBondContact O-N 2.76Å |
| 62 | G | 47.8 | Very low | 47.2 | Very low | 18 Ų | 18 | 71.9 Ų | 71.9 | 19% | 0.186 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 127.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T50 G51 I79 | T50-G62 CarbonylContact C-O 3.37Å; T50-G62 VanDerWaalsContact CA-O 3.27Å; T50-G62 WeakPolarHBondContact CA-O 3.19Å; G51-G62 PolarHBondContact N-O 3.02Å; G51-G62 PolarHBondContact O-N 3.18Å; G62-I79 CarbonylContact C-O 3.46Å |
| 63 | L | 47.3 | Very low | 47.6 | Very low | 88 Ų | 88 | 70 Ų | 70 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 103.1 | 166.5 | -57.9 | 175.2 | 0 | 0 | 0 | 106.5 | Q49 T50 G78 I79 | Q49-L63 CarbonylContact O-C 3.48Å; Q49-L63 VanDerWaalsContact O-CA 3.32Å; Q49-L63 WeakPolarHBondContact O-CA 2.97Å; T50-L63 HydrophobicContact CG2-CD2 3.19Å; L63-G78 CarbonylContact O-C 3.44Å; L63-G78 WeakPolarHBondContact O-CA 3.29Å; L63-I79 PolarHBondContact N-O 2.81Å; L63-I79 PolarHBondContact O-N 2.82Å |
| 64 | S | 52.2 | Low | 48 | Very low | 24 Ų | 24 | 67.5 Ų | 67.5 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 107.4 | 168.9 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | I48 Q49 R77 | I48-S64 CarbonylContact C-O 3.28Å; Q49-S64 WeakPolarHBondContact CB-OG 3.33Å; Q49-S64 PolarHBondContact N-O 3.05Å; Q49-S64 PolarHBondContact O-N 3.25Å; S64-R77 CarbonylContact C-O 3.5Å; S64-R77 WeakPolarHBondContact CA-O 3.45Å |
| 65 | G | 47.3 | Very low | 48.5 | Very low | 27 Ų | 27 | 65.8 Ų | 65.8 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.4 | G47 R77 | G47-G65 CarbonylContact O-C 3.53Å; G47-G65 WeakPolarHBondContact O-CA 3.34Å; G65-R77 CarbonylContact C-O 3.4Å; G65-R77 WeakPolarHBondContact CA-O 3.46Å; G65-R77 PolarHBondContact N-O 3.43Å; G65-R77 CarbonylContact O-C 3.49Å; G65-R77 WeakPolarHBondContact O-CA 3.26Å; G65-R77 WeakPolarHBondContact O-CB 3.5Å; G65-R77 PolarHBondContact O-N 3.47Å |
| 66 | G | 54.4 | Low | 49.1 | Very low | 14 Ų | 14 | 63.5 Ų | 63.5 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | R46 G47 T75 | R46-G66 CarbonylContact C-O 3.49Å; R46-G66 VanDerWaalsContact CA-O 3.28Å; R46-G66 WeakPolarHBondContact CA-O 3.38Å; G47-G66 PolarHBondContact N-O 2.68Å; G47-G66 PolarHBondContact O-N 3.18Å; G66-T75 CarbonylContact C-O 3.59Å; G66-T75 VanDerWaalsContact C-O 3.23Å; G66-T75 WeakPolarHBondContact CA-O 3.27Å |
| 67 | R | 49.3 | Very low | 49.6 | Very low | 131 Ų | 131 | 65.3 Ų | 65.3 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.3 | 168.7 | -48.8 | -160 | -176 | 163 | 7.9 | 110.2 | G45 R46 G74 T75 | G45-R67 CarbonylContact O-C 3.45Å; G45-R67 WeakPolarHBondContact O-CA 3.41Å; R46-R67 HydrophobicContact CG-CG 4.06Å; R46-R67 VanDerWaalsContact CZ-NH2 3.32Å; R46-R67 VanDerWaalsContact NH2-CZ 3.32Å; R67-G74 CarbonylContact O-C 3.46Å; R67-G74 VanDerWaalsContact O-CA 3.3Å; R67-G74 WeakPolarHBondContact O-CA 3.32Å; R67-T75 PolarHBondContact N-O 3.16Å; R67-T75 PolarHBondContact O-N 2.78Å; R67-T75 PolarHBondContact O-OG1 3.14Å |
| 68 | N | 50 | Low | 50.2 | Low | 64 Ų | 64 | 64.1 Ų | 64.1 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.7 | 170.1 | -69.1 | -33.8 | 0 | 0 | 0 | 108.9 | I44 G45 F73 G74 | I44-N68 CarbonylContact C-O 3.45Å; I44-N68 VanDerWaalsContact CA-O 3.25Å; I44-N68 WeakPolarHBondContact CA-O 3.24Å; G45-N68 PolarHBondContact N-O 3.09Å; G45-N68 PolarHBondContact O-N 2.79Å; N68-F73 CarbonylContact C-O 3.57Å; N68-F73 VanDerWaalsContact CA-O 3.3Å; N68-F73 WeakPolarHBondContact CA-O 3.47Å; N68-G74 WeakPolarHBondContact OD1-CA 3.46Å |
| 69 | V | 48.1 | Very low | 50.8 | Low | 58 Ų | 58 | 62.4 Ų | 62.4 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 107.4 | 170.5 | -177.8 | 0 | 0 | 0 | 0 | 106.7 | G71 L72 F73 | V69-G71 PolarHBondContact O-N 2.74Å; V69-G71 VanDerWaalsContact O-N 3.1Å; V69-L72 PolarHBondContact O-N 2.75Å; V69-F73 HydrophobicContact CB-CB 4.16Å; V69-F73 PolarHBondContact N-O 3.17Å; V69-F73 PolarHBondContact O-N 3.01Å |
| 70 | L | 47.2 | Very low | 51.4 | Low | 37 Ų | 37 | 56.5 Ų | 56.5 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 24.4 | 171.7 | -51.8 | -179.3 | 0 | 0 | 0 | 114.5 | L26 L29 I39 D41 S43 L72 | L26-L70 HydrophobicContact CD1-CD2 3.59Å; L29-L70 HydrophobicContact CD1-CD1 4.31Å; L29-L70 HydrophobicContact CD1-CD2 3.24Å; L29-L70 HydrophobicContact CD1-CG 4.37Å; I39-L70 HydrophobicContact CD1-CB 4.31Å; I39-L70 HydrophobicContact CD1-CD1 4.17Å; I39-L70 HydrophobicContact CG1-CB 4.38Å; I39-L70 HydrophobicContact CG2-CB 3.96Å; I39-L70 HydrophobicContact CG2-CD2 4.44Å; I39-L70 WeakPolarHBondContact CG2-O 3.33Å; D41-L70 CarbonylContact O-C 3.46Å; S43-L70 PolarHBondContact O-N 3.18Å; L70-L72 HydrophobicContact CB-CD1 4.47Å; L70-L72 HydrophobicContact CB-CG 4.48Å; L70-L72 PolarHBondContact O-N 2.84Å |
| 71 | G | 48.4 | Very low | 51.6 | Low | 16 Ų | 16 | 56.1 Ų | 56.1 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 4.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V69 R101 | V69-G71 PolarHBondContact O-N 2.74Å; V69-G71 VanDerWaalsContact O-N 3.1Å; G71-R101 WeakPolarHBondContact O-CG 3.24Å |
| 72 | L | 51.2 | Low | 52.2 | Low | 48 Ų | 48 | 51.3 Ų | 51.3 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -40.1 | -179.1 | -66.5 | 175.2 | 0 | 0 | 0 | 111.2 | V69 L70 V99 M100 | V69-L72 PolarHBondContact O-N 2.75Å; L70-L72 HydrophobicContact CB-CD1 4.47Å; L70-L72 HydrophobicContact CB-CG 4.48Å; L70-L72 PolarHBondContact O-N 2.84Å; L72-V99 CarbonylContact O-C 3.43Å; L72-V99 WeakPolarHBondContact O-CA 3.05Å; L72-M100 WeakPolarHBondContact O-CA 3.39Å; L72-M100 PolarHBondContact O-N 3.36Å |
| 73 | F | 50.4 | Low | 52.5 | Low | 102 Ų | 102 | 51.5 Ų | 51.5 | 45% | 0.447 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 109.6 | -179.7 | -56.4 | -98.3 | 0 | 0 | 0 | 110 | N68 V69 S98 V99 | N68-F73 CarbonylContact C-O 3.57Å; N68-F73 VanDerWaalsContact CA-O 3.3Å; N68-F73 WeakPolarHBondContact CA-O 3.47Å; V69-F73 HydrophobicContact CB-CB 4.16Å; V69-F73 PolarHBondContact N-O 3.17Å; V69-F73 PolarHBondContact O-N 3.01Å; F73-S98 CarbonylContact C-O 3.56Å; F73-S98 WeakPolarHBondContact CA-O 3.47Å; F73-V99 HydrophobicContact CD1-CB 4.21Å; F73-V99 HydrophobicContact CD1-CG1 3.77Å; F73-V99 HydrophobicContact CD1-CG2 3.76Å; F73-V99 HydrophobicContact CE1-CB 4.34Å; F73-V99 HydrophobicContact CE1-CG1 3.44Å; F73-V99 VanDerWaalsContact CE1-CG1 3.44Å; F73-V99 HydrophobicContact CE1-CG2 4.12Å; F73-V99 HydrophobicContact CZ-CG1 4.19Å |
| 74 | G | 55.3 | Low | 53.1 | Low | 4 Ų | 4 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R67 N68 W97 S98 | R67-G74 CarbonylContact O-C 3.46Å; R67-G74 VanDerWaalsContact O-CA 3.3Å; R67-G74 WeakPolarHBondContact O-CA 3.32Å; N68-G74 WeakPolarHBondContact OD1-CA 3.46Å; G74-W97 CarbonylContact O-C 3.56Å; G74-W97 WeakPolarHBondContact O-CA 3.5Å; G74-W97 VanDerWaalsContact O-CB 3.24Å; G74-W97 WeakPolarHBondContact O-CB 3.16Å; G74-S98 PolarHBondContact N-O 2.95Å; G74-S98 PolarHBondContact O-N 2.84Å |
| 75 | T | 53.1 | Low | 52.9 | Low | 76 Ų | 76 | 52.2 Ų | 52.2 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.8 | 159.4 | 47.4 | 0 | 0 | 0 | 0 | 105.9 | G66 R67 N96 W97 | G66-T75 CarbonylContact C-O 3.59Å; G66-T75 VanDerWaalsContact C-O 3.23Å; G66-T75 WeakPolarHBondContact CA-O 3.27Å; R67-T75 PolarHBondContact N-O 3.16Å; R67-T75 PolarHBondContact O-N 2.78Å; R67-T75 PolarHBondContact O-OG1 3.14Å; T75-N96 CarbonylContact C-O 3.23Å; T75-W97 HydrophobicContact CG2-CB 3.92Å |
| 76 | E | 56.9 | Low | 53.4 | Low | 68 Ų | 68 | 57.5 Ų | 57.5 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 103.3 | -179.5 | -69.6 | 175.7 | -160.1 | 0 | 0 | 110 | N95 N96 | E76-N95 CarbonylContact O-C 3.39Å; E76-N96 CarbonylContact C-O 3.33Å; E76-N96 HydrophobicContact CB-CB 4.25Å; E76-N96 PolarHBondContact N-O 2.71Å; E76-N96 WeakPolarHBondContact O-CA 3.27Å; E76-N96 PolarHBondContact O-N 2.68Å |
| 77 | R | 53.7 | Low | 53.5 | Low | 172 Ų | 172 | 58.2 Ų | 58.2 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 113 | 165.7 | 169.5 | 175.3 | -98.2 | -161.1 | -10.7 | 109.2 | S64 G65 G94 N95 | S64-R77 CarbonylContact C-O 3.5Å; S64-R77 WeakPolarHBondContact CA-O 3.45Å; G65-R77 CarbonylContact C-O 3.4Å; G65-R77 WeakPolarHBondContact CA-O 3.46Å; G65-R77 PolarHBondContact N-O 3.43Å; G65-R77 CarbonylContact O-C 3.49Å; G65-R77 WeakPolarHBondContact O-CA 3.26Å; G65-R77 WeakPolarHBondContact O-CB 3.5Å; G65-R77 PolarHBondContact O-N 3.47Å; R77-G94 CarbonylContact C-O 3.6Å; R77-G94 WeakPolarHBondContact CA-O 3.39Å; R77-N95 WeakPolarHBondContact CB-OD1 3.43Å; R77-N95 VanDerWaalsContact CG-OD1 3.24Å; R77-N95 WeakPolarHBondContact CG-OD1 3.49Å; R77-N95 PolarHBondContact NE-OD1 2.87Å |
| 78 | G | 57.6 | Low | 54.1 | Low | 16 Ų | 16 | 52.1 Ų | 52.1 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 147.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L63 I93 G94 | L63-G78 CarbonylContact O-C 3.44Å; L63-G78 WeakPolarHBondContact O-CA 3.29Å; G78-I93 CarbonylContact O-C 3.27Å; G78-I93 WeakPolarHBondContact O-CA 3.01Å; G78-G94 PolarHBondContact N-O 2.84Å; G78-G94 PolarHBondContact O-N 2.68Å |
| 79 | I | 54.6 | Low | 54.5 | Low | 87 Ų | 87 | 56 Ų | 56 | 45% | 0.446 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.5 | 162.7 | -59.9 | 175.3 | 0 | 0 | 0 | 105.5 | G62 L63 R92 I93 | G62-I79 CarbonylContact C-O 3.46Å; L63-I79 PolarHBondContact N-O 2.81Å; L63-I79 PolarHBondContact O-N 2.82Å; I79-R92 CarbonylContact C-O 3.48Å; I79-R92 WeakPolarHBondContact CA-O 3.01Å; I79-I93 HydrophobicContact CB-CG1 4.33Å; I79-I93 HydrophobicContact CG1-CB 4.48Å; I79-I93 HydrophobicContact CG1-CD1 4.32Å; I79-I93 HydrophobicContact CG1-CG1 4Å; I79-I93 HydrophobicContact CG1-CG2 4.06Å; I79-I93 HydrophobicContact CG2-CD1 4.37Å; I79-I93 HydrophobicContact CG2-CG1 4.01Å |
| 80 | G | 59.4 | Low | 55.2 | Low | 6 Ų | 6 | 56.3 Ų | 56.3 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 162.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F61 G91 R92 | F61-G80 CarbonylContact O-C 3.56Å; F61-G80 WeakPolarHBondContact O-CA 3.37Å; G80-G91 CarbonylContact O-C 3.41Å; G80-G91 WeakPolarHBondContact O-CA 3.38Å; G80-R92 PolarHBondContact N-O 2.89Å; G80-R92 PolarHBondContact O-N 2.83Å; G80-R92 VanDerWaalsContact O-O 3.04Å |
| 81 | G | 53.7 | Low | 55.9 | Low | 10 Ų | 10 | 56.1 Ų | 56.1 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 152.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | G60 F61 S90 | G60-G81 CarbonylContact C-O 3.46Å; G60-G81 WeakPolarHBondContact CA-O 3.34Å; F61-G81 WeakPolarHBondContact CD1-O 3.3Å; F61-G81 PolarHBondContact N-O 2.85Å; F61-G81 PolarHBondContact O-N 2.76Å; G81-S90 CarbonylContact C-O 3.56Å; G81-S90 VanDerWaalsContact C-O 3.27Å; G81-S90 WeakPolarHBondContact CA-O 3.22Å |
| 82 | G | 59.2 | Low | 56.6 | Low | 12 Ų | 12 | 63.9 Ų | 63.9 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 143.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q59 G60 Y89 S90 | Q59-G82 CarbonylContact O-C 3.48Å; Q59-G82 VanDerWaalsContact O-C 3.25Å; Q59-G82 WeakPolarHBondContact O-CA 3.3Å; G60-G82 VanDerWaalsContact CA-CA 3.41Å; G82-Y89 CarbonylContact O-C 3.49Å; G82-S90 PolarHBondContact N-O 2.77Å; G82-S90 PolarHBondContact O-N 2.91Å; G82-S90 PolarHBondContact O-OG 3.3Å; G82-S90 VanDerWaalsContact O-OG 3.04Å |
| 83 | A | 53 | Low | 57.3 | Low | 22 Ų | 22 | 66.5 Ų | 66.5 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q59 G88 Y89 | Q59-A83 CarbonylContact C-O 3.46Å; Q59-A83 PolarHBondContact N-O 2.8Å; Q59-A83 PolarHBondContact O-N 2.77Å; A83-G88 CarbonylContact C-O 3.41Å; A83-G88 WeakPolarHBondContact CA-O 3.08Å; A83-Y89 HydrophobicContact CB-CD1 3.9Å; A83-Y89 HydrophobicContact CB-CE1 3.86Å |
| 84 | D | 59.1 | Low | 57.9 | Low | 61 Ų | 61 | 62.1 Ų | 62.1 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 161.9 | 158.9 | 66.6 | 37.2 | 0 | 0 | 0 | 109.8 | G57 Q86 G87 G88 | G57-D84 WeakPolarHBondContact O-CA 3.43Å; D84-Q86 PolarHBondContact O-N 3.06Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.4Å; D84-Q86 PolarHBondContact OD1-N 2.8Å; D84-G87 PolarHBondContact O-N 3.27Å; D84-G87 PolarHBondContact OD1-N 2.8Å; D84-G88 PolarHBondContact N-O 2.68Å; D84-G88 WeakPolarHBondContact OD1-CA 3.31Å; D84-G88 PolarHBondContact OD1-N 2.73Å; D84-G88 WeakPolarHBondContact OD2-CA 3.36Å |
| 85 | G | 50 | Low | 58.3 | Low | 65 Ų | 65 | 65.4 Ų | 65.4 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -2.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G57 | G57-G85 PolarHBondContact O-N 2.74Š|
| 86 | Q | 56 | Low | 58.7 | Low | 138 Ų | 138 | 65.5 Ų | 65.5 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 2.3 | -178.3 | -63.1 | 179.5 | 43.9 | 0 | 0 | 112.3 | D84 | D84-Q86 PolarHBondContact O-N 3.06Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.4Å; D84-Q86 PolarHBondContact OD1-N 2.8Å |
| 87 | G | 57 | Low | 58.6 | Low | 30 Ų | 30 | 66.3 Ų | 66.3 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 95.9 | 1.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D84 Y89 P116 | D84-G87 PolarHBondContact O-N 3.27Å; D84-G87 PolarHBondContact OD1-N 2.8Å; G87-Y89 VanDerWaalsContact O-CD2 3.3Å; G87-Y89 WeakPolarHBondContact O-CD2 3.27Å; G87-Y89 WeakPolarHBondContact O-CE2 3.38Å; G87-P116 VanDerWaalsContact O-CD 3.3Å; G87-P116 WeakPolarHBondContact O-CD 2.99Å |
| 88 | G | 61.5 | Low | 58.8 | Low | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | trans | -78.5 | 132.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A83 D84 I114 | A83-G88 CarbonylContact C-O 3.41Å; A83-G88 WeakPolarHBondContact CA-O 3.08Å; D84-G88 PolarHBondContact N-O 2.68Å; D84-G88 WeakPolarHBondContact OD1-CA 3.31Å; D84-G88 PolarHBondContact OD1-N 2.73Å; D84-G88 WeakPolarHBondContact OD2-CA 3.36Å; G88-I114 CarbonylContact C-O 3.57Å; G88-I114 VanDerWaalsContact CA-O 3.32Å; G88-I114 WeakPolarHBondContact CA-O 3.33Å | ||
| 89 | Y | 59.1 | Low | 58.6 | Low | 145 Ų | 145 | 60 Ų | 60 | 57% | 0.569 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.9 | 176.8 | -60.7 | -90.5 | 0 | 0 | 0 | 109.2 | G82 A83 G87 H113 I114 | G82-Y89 CarbonylContact O-C 3.49Å; A83-Y89 HydrophobicContact CB-CD1 3.9Å; A83-Y89 HydrophobicContact CB-CE1 3.86Å; G87-Y89 VanDerWaalsContact O-CD2 3.3Å; G87-Y89 WeakPolarHBondContact O-CD2 3.27Å; G87-Y89 WeakPolarHBondContact O-CE2 3.38Å; Y89-H113 CarbonylContact O-C 3.56Å; Y89-H113 WeakPolarHBondContact O-CA 3.23Å; Y89-I114 PolarHBondContact N-O 2.74Å; Y89-I114 PolarHBondContact O-N 2.77Å |
| 90 | S | 63.3 | Low | 58.6 | Low | 66 Ų | 66 | 61 Ų | 61 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.1 | 169.4 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | G81 G82 G112 | G81-S90 CarbonylContact C-O 3.56Å; G81-S90 VanDerWaalsContact C-O 3.27Å; G81-S90 WeakPolarHBondContact CA-O 3.22Å; G82-S90 PolarHBondContact N-O 2.77Å; G82-S90 PolarHBondContact O-N 2.91Å; G82-S90 PolarHBondContact O-OG 3.3Å; G82-S90 VanDerWaalsContact O-OG 3.04Å; S90-G112 CarbonylContact C-O 3.51Å; S90-G112 WeakPolarHBondContact CA-O 3.48Å |
| 91 | G | 61.3 | Low | 58.2 | Low | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G80 G111 G112 | G80-G91 CarbonylContact O-C 3.41Å; G80-G91 WeakPolarHBondContact O-CA 3.38Å; G91-G111 CarbonylContact O-C 3.44Å; G91-G111 WeakPolarHBondContact O-CA 3.34Å; G91-G112 PolarHBondContact N-O 2.78Å; G91-G112 PolarHBondContact O-N 2.74Å |
| 92 | R | 62.4 | Low | 58.1 | Low | 178 Ų | 178 | 69.9 Ų | 69.9 | 67% | 0.672 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 130.5 | 174.6 | 64.1 | -178.4 | -176.6 | 177.7 | 0.2 | 109.7 | I79 G80 I110 | I79-R92 CarbonylContact C-O 3.48Å; I79-R92 WeakPolarHBondContact CA-O 3.01Å; G80-R92 PolarHBondContact N-O 2.89Å; G80-R92 PolarHBondContact O-N 2.83Å; G80-R92 VanDerWaalsContact O-O 3.04Å; R92-I110 CarbonylContact C-O 3.5Å; R92-I110 WeakPolarHBondContact CA-O 3.36Å |
| 93 | I | 66.7 | Low | 57.9 | Low | 103 Ų | 103 | 75.4 Ų | 75.4 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.4 | 171.4 | -58.9 | -176.4 | 0 | 0 | 0 | 106.6 | G78 I79 G109 I110 | G78-I93 CarbonylContact O-C 3.27Å; G78-I93 WeakPolarHBondContact O-CA 3.01Å; I79-I93 HydrophobicContact CB-CG1 4.33Å; I79-I93 HydrophobicContact CG1-CB 4.48Å; I79-I93 HydrophobicContact CG1-CD1 4.32Å; I79-I93 HydrophobicContact CG1-CG1 4Å; I79-I93 HydrophobicContact CG1-CG2 4.06Å; I79-I93 HydrophobicContact CG2-CD1 4.37Å; I79-I93 HydrophobicContact CG2-CG1 4.01Å; I93-G109 CarbonylContact O-C 3.57Å; I93-G109 VanDerWaalsContact O-CA 3.3Å; I93-G109 WeakPolarHBondContact O-CA 3.11Å; I93-I110 PolarHBondContact N-O 2.87Å; I93-I110 PolarHBondContact O-N 2.94Å |
| 94 | G | 63.3 | Low | 57.8 | Low | 11 Ų | 11 | 76 Ų | 76 | 11% | 0.113 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 161.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R77 G78 R108 | R77-G94 CarbonylContact C-O 3.6Å; R77-G94 WeakPolarHBondContact CA-O 3.39Å; G78-G94 PolarHBondContact N-O 2.84Å; G78-G94 PolarHBondContact O-N 2.68Å; G94-R108 CarbonylContact C-O 3.38Å; G94-R108 WeakPolarHBondContact CA-O 3.3Å |
| 95 | N | 63.2 | Low | 57.9 | Low | 73 Ų | 73 | 75.6 Ų | 75.6 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 106.2 | 164.6 | -59.9 | -28.8 | 0 | 0 | 0 | 106.7 | E76 R77 G107 R108 | E76-N95 CarbonylContact O-C 3.39Å; R77-N95 WeakPolarHBondContact CB-OD1 3.43Å; R77-N95 VanDerWaalsContact CG-OD1 3.24Å; R77-N95 WeakPolarHBondContact CG-OD1 3.49Å; R77-N95 PolarHBondContact NE-OD1 2.87Å; N95-G107 CarbonylContact O-C 3.42Å; N95-G107 WeakPolarHBondContact O-CA 3.38Å; N95-R108 PolarHBondContact N-O 2.79Å; N95-R108 PolarHBondContact O-N 2.68Å |
| 96 | N | 61.9 | Low | 58.3 | Low | 78 Ų | 78 | 72.9 Ų | 72.9 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 159.6 | 167 | -61.8 | 5.1 | 0 | 0 | 0 | 108.5 | T75 E76 G106 | T75-N96 CarbonylContact C-O 3.23Å; E76-N96 CarbonylContact C-O 3.33Å; E76-N96 HydrophobicContact CB-CB 4.25Å; E76-N96 PolarHBondContact N-O 2.71Å; E76-N96 WeakPolarHBondContact O-CA 3.27Å; E76-N96 PolarHBondContact O-N 2.68Å; N96-G106 CarbonylContact C-O 3.58Å; N96-G106 WeakPolarHBondContact CA-O 3.4Å |
| 97 | W | 55.3 | Low | 58.7 | Low | 85 Ų | 85 | 67 Ų | 67 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 148.3 | 169.7 | 56.3 | -97.4 | 0 | 0 | 0 | 108.2 | G74 T75 V99 V104 S105 G106 V129 | G74-W97 CarbonylContact O-C 3.56Å; G74-W97 WeakPolarHBondContact O-CA 3.5Å; G74-W97 VanDerWaalsContact O-CB 3.24Å; G74-W97 WeakPolarHBondContact O-CB 3.16Å; T75-W97 HydrophobicContact CG2-CB 3.92Å; W97-V99 HydrophobicContact CE3-CG2 3.86Å; W97-V99 HydrophobicContact CZ3-CG2 3.68Å; W97-V104 HydrophobicContact CH2-CG1 4.14Å; W97-V104 HydrophobicContact CZ3-CG1 3.91Å; W97-S105 CarbonylContact O-C 3.48Å; W97-S105 VanDerWaalsContact O-CA 3.31Å; W97-S105 WeakPolarHBondContact O-CA 3.45Å; W97-G106 VanDerWaalsContact CE2-CA 3.43Å; W97-G106 PolarHBondContact N-O 2.76Å; W97-G106 PolarHBondContact O-N 3.45Å; W97-V129 HydrophobicContact CH2-CB 4.2Å; W97-V129 HydrophobicContact CH2-CG1 3.44Å; W97-V129 VanDerWaalsContact CH2-CG1 3.44Å; W97-V129 HydrophobicContact CH2-CG2 3.84Å; W97-V129 HydrophobicContact CZ2-CB 4.25Å; W97-V129 HydrophobicContact CZ2-CG1 3.99Å; W97-V129 HydrophobicContact CZ2-CG2 3.48Å; W97-V129 VanDerWaalsContact CZ2-CG2 3.48Å; W97-V129 HydrophobicContact CZ3-CG1 4.31Å |
| 98 | S | 56.4 | Low | 59.1 | Low | 24 Ų | 24 | 72 Ų | 72 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.1 | 177 | 60 | 0 | 0 | 0 | 0 | 108.7 | F73 G74 V104 | F73-S98 CarbonylContact C-O 3.56Å; F73-S98 WeakPolarHBondContact CA-O 3.47Å; G74-S98 PolarHBondContact N-O 2.95Å; G74-S98 PolarHBondContact O-N 2.84Å; S98-V104 CarbonylContact C-O 3.45Å; S98-V104 WeakPolarHBondContact CA-O 3.31Å |
| 99 | V | 54.4 | Low | 59.4 | Low | 32 Ų | 32 | 72.7 Ų | 72.7 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.9 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | L72 F73 W97 R101 G102 L103 V104 | L72-V99 CarbonylContact O-C 3.43Å; L72-V99 WeakPolarHBondContact O-CA 3.05Å; F73-V99 HydrophobicContact CD1-CB 4.21Å; F73-V99 HydrophobicContact CD1-CG1 3.77Å; F73-V99 HydrophobicContact CD1-CG2 3.76Å; F73-V99 HydrophobicContact CE1-CB 4.34Å; F73-V99 HydrophobicContact CE1-CG1 3.44Å; F73-V99 VanDerWaalsContact CE1-CG1 3.44Å; F73-V99 HydrophobicContact CE1-CG2 4.12Å; F73-V99 HydrophobicContact CZ-CG1 4.19Å; W97-V99 HydrophobicContact CE3-CG2 3.86Å; W97-V99 HydrophobicContact CZ3-CG2 3.68Å; V99-R101 PolarHBondContact O-N 2.75Å; V99-G102 PolarHBondContact O-N 2.67Å; V99-L103 PolarHBondContact O-N 2.78Å; V99-V104 HydrophobicContact CB-CB 4.22Å; V99-V104 PolarHBondContact N-O 3.23Å; V99-V104 PolarHBondContact O-N 2.78Å |
| 100 | M | 54.1 | Low | 59.7 | Low | 108 Ų | 108 | 70.3 Ų | 70.3 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | 42.8 | 62.1 | -171.2 | -59.2 | 172.8 | -174.5 | 0 | 0 | 112.4 | L72 G102 L103 | L72-M100 WeakPolarHBondContact O-CA 3.39Å; L72-M100 PolarHBondContact O-N 3.36Å; M100-G102 PolarHBondContact O-N 2.73Å; M100-G102 VanDerWaalsContact O-N 3.09Å; M100-L103 HydrophobicContact CB-CB 4.08Å; M100-L103 HydrophobicContact CB-CD1 3.69Å; M100-L103 HydrophobicContact CB-CG 4.26Å; M100-L103 WeakPolarHBondContact O-CG 3.09Å; M100-L103 PolarHBondContact O-N 2.73Å; M100-L103 HydrophobicContact SD-CD1 4.06Å |
| 101 | R | 51 | Low | 60 | Low | 169 Ų | 169 | 67.9 Ų | 67.9 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | 53.7 | 30.8 | 178.5 | -67.2 | -172.6 | 154.7 | -147.1 | -13.8 | 114.9 | G71 V99 | G71-R101 WeakPolarHBondContact O-CG 3.24Å; V99-R101 PolarHBondContact O-N 2.75Å |
| 102 | G | 51.9 | Low | 60.3 | Low | 33 Ų | 33 | 67.3 Ų | 67.3 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | 97 | 3.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V99 M100 V104 | V99-G102 PolarHBondContact O-N 2.67Å; M100-G102 PolarHBondContact O-N 2.73Å; M100-G102 VanDerWaalsContact O-N 3.09Å; G102-V104 PolarHBondContact O-N 2.78Å |
| 103 | L | 55.8 | Low | 60.7 | Low | 128 Ų | 128 | 62 Ų | 62 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -39.2 | 167.4 | -79 | 173.4 | 0 | 0 | 0 | 111.3 | V99 M100 | V99-L103 PolarHBondContact O-N 2.78Å; M100-L103 HydrophobicContact CB-CB 4.08Å; M100-L103 HydrophobicContact CB-CD1 3.69Å; M100-L103 HydrophobicContact CB-CG 4.26Å; M100-L103 WeakPolarHBondContact O-CG 3.09Å; M100-L103 PolarHBondContact O-N 2.73Å; M100-L103 HydrophobicContact SD-CD1 4.06Å |
| 104 | V | 50.2 | Low | 60.6 | Low | 33 Ų | 33 | 61.6 Ų | 61.6 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.2 | 166.9 | -176.3 | 0 | 0 | 0 | 0 | 106.5 | W97 S98 V99 G102 V129 A130 F132 | W97-V104 HydrophobicContact CH2-CG1 4.14Å; W97-V104 HydrophobicContact CZ3-CG1 3.91Å; S98-V104 CarbonylContact C-O 3.45Å; S98-V104 WeakPolarHBondContact CA-O 3.31Å; V99-V104 HydrophobicContact CB-CB 4.22Å; V99-V104 PolarHBondContact N-O 3.23Å; V99-V104 PolarHBondContact O-N 2.78Å; G102-V104 PolarHBondContact O-N 2.78Å; V104-V129 HydrophobicContact CG1-CG1 3.42Å; V104-V129 VanDerWaalsContact CG1-CG1 3.42Å; V104-A130 WeakPolarHBondContact CA-O 3.41Å; V104-A130 WeakPolarHBondContact CG1-O 3.01Å; V104-F132 HydrophobicContact CG1-CD2 4.42Å; V104-F132 HydrophobicContact CG1-CE2 4.14Å; V104-F132 HydrophobicContact CG2-CE2 3.93Å |
| 105 | S | 60.8 | Low | 61 | Low | 54 Ų | 54 | 61.5 Ų | 61.5 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.5 | 175.4 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | W97 V129 A130 | W97-S105 CarbonylContact O-C 3.48Å; W97-S105 VanDerWaalsContact O-CA 3.31Å; W97-S105 WeakPolarHBondContact O-CA 3.45Å; S105-V129 CarbonylContact O-C 3.51Å; S105-A130 PolarHBondContact N-O 2.83Å; S105-A130 WeakPolarHBondContact O-CA 3.4Å; S105-A130 VanDerWaalsContact O-CB 3.27Å; S105-A130 WeakPolarHBondContact O-CB 2.91Å; S105-A130 PolarHBondContact O-N 2.76Å |
| 106 | G | 59.3 | Low | 60.9 | Low | 8 Ų | 8 | 62 Ų | 62 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 168.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | N96 W97 G128 | N96-G106 CarbonylContact C-O 3.58Å; N96-G106 WeakPolarHBondContact CA-O 3.4Å; W97-G106 VanDerWaalsContact CE2-CA 3.43Å; W97-G106 PolarHBondContact N-O 2.76Å; W97-G106 PolarHBondContact O-N 3.45Å; G106-G128 CarbonylContact C-O 3.56Å; G106-G128 WeakPolarHBondContact CA-O 3.08Å |
| 107 | G | 64.5 | Low | 60.9 | Low | 14 Ų | 14 | 62.1 Ų | 62.1 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 157.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N95 T127 G128 | N95-G107 CarbonylContact O-C 3.42Å; N95-G107 WeakPolarHBondContact O-CA 3.38Å; G107-T127 CarbonylContact O-C 3.58Å; G107-T127 VanDerWaalsContact O-CA 3.27Å; G107-T127 WeakPolarHBondContact O-CA 3.49Å; G107-G128 PolarHBondContact N-O 3.07Å; G107-G128 PolarHBondContact O-N 3.2Å |
| 108 | R | 64.5 | Low | 61.4 | Low | 136 Ų | 136 | 65.8 Ų | 65.8 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 115.2 | 166.2 | 174.1 | 169.8 | 168.5 | -173.7 | -3 | 107.6 | G94 N95 R125 N126 T127 | G94-R108 CarbonylContact C-O 3.38Å; G94-R108 WeakPolarHBondContact CA-O 3.3Å; N95-R108 PolarHBondContact N-O 2.79Å; N95-R108 PolarHBondContact O-N 2.68Å; R108-R125 VanDerWaalsContact NH2-CZ 3.28Å; R108-N126 CarbonylContact C-O 3.48Å; R108-N126 VanDerWaalsContact CA-O 3.29Å; R108-N126 WeakPolarHBondContact CA-O 3.14Å; R108-T127 HydrophobicContact CB-CG2 4.3Å; R108-T127 WeakPolarHBondContact CG-OG1 3.26Å |
| 109 | G | 67.8 | Low | 61.6 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I93 R125 N126 | I93-G109 CarbonylContact O-C 3.57Å; I93-G109 VanDerWaalsContact O-CA 3.3Å; I93-G109 WeakPolarHBondContact O-CA 3.11Å; G109-R125 CarbonylContact O-C 3.26Å; G109-R125 VanDerWaalsContact O-CA 3.23Å; G109-R125 WeakPolarHBondContact O-CA 3.3Å; G109-R125 WeakPolarHBondContact O-CG 3.45Å; G109-N126 PolarHBondContact N-O 2.75Å; G109-N126 PolarHBondContact O-N 2.7Å; G109-N126 VanDerWaalsContact O-O 3.12Å |
| 110 | I | 66.2 | Low | 62.2 | Low | 95 Ų | 95 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.1 | 166.2 | -59.8 | 168.7 | 0 | 0 | 0 | 105.7 | R92 I93 S124 R125 | R92-I110 CarbonylContact C-O 3.5Å; R92-I110 WeakPolarHBondContact CA-O 3.36Å; I93-I110 PolarHBondContact N-O 2.87Å; I93-I110 PolarHBondContact O-N 2.94Å; I110-S124 CarbonylContact C-O 3.51Å; I110-S124 VanDerWaalsContact CA-O 3.31Å; I110-S124 WeakPolarHBondContact CA-O 3.25Å; I110-R125 HydrophobicContact CG1-CB 4.15Å; I110-R125 HydrophobicContact CG1-CG 3.86Å |
| 111 | G | 70 | Confident | 63.1 | Low | 14 Ų | 14 | 62.4 Ų | 62.4 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 151.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G91 F123 S124 | G91-G111 CarbonylContact O-C 3.44Å; G91-G111 WeakPolarHBondContact O-CA 3.34Å; G111-F123 CarbonylContact O-C 3.45Å; G111-F123 WeakPolarHBondContact O-CA 3.16Å; G111-S124 PolarHBondContact N-O 3.28Å; G111-S124 PolarHBondContact O-N 2.77Å; G111-S124 VanDerWaalsContact O-O 3.04Å |
| 112 | G | 67.3 | Low | 64.1 | Low | 21 Ų | 21 | 54.4 Ų | 54.4 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 154.2 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | S90 G91 G122 | S90-G112 CarbonylContact C-O 3.51Å; S90-G112 WeakPolarHBondContact CA-O 3.48Å; G91-G112 PolarHBondContact N-O 2.78Å; G91-G112 PolarHBondContact O-N 2.74Å; G112-G122 CarbonylContact C-O 3.48Å; G112-G122 VanDerWaalsContact CA-O 3.24Å; G112-G122 WeakPolarHBondContact CA-O 3.24Å |
| 113 | H | 70.1 | Confident | 65.1 | Low | 67 Ų | 67 | 57.5 Ų | 57.5 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.6 | 160.8 | 70.2 | -63.3 | 0 | 0 | 0 | 109.2 | Y89 F121 G122 N140 | Y89-H113 CarbonylContact O-C 3.56Å; Y89-H113 WeakPolarHBondContact O-CA 3.23Å; H113-F121 CarbonylContact O-C 3.54Å; H113-F121 WeakPolarHBondContact O-CA 3.31Å; H113-G122 VanDerWaalsContact CE1-CA 3.48Å; H113-G122 WeakPolarHBondContact CE1-CA 3.32Å; H113-G122 PolarHBondContact CE1-N 3.21Å; H113-G122 PolarHBondContact N-O 2.78Å; H113-G122 PolarHBondContact ND1-O 3.14Å; H113-G122 VanDerWaalsContact ND1-O 3.08Å; H113-G122 PolarHBondContact O-N 3.46Å; H113-N140 PolarHBondContact CE1-OD1 2.76Å; H113-N140 PolarHBondContact NE2-OD1 2.72Å |
| 114 | I | 65.8 | Low | 65.7 | Low | 94 Ų | 94 | 54.1 Ų | 54.1 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 108.8 | 176.6 | -56.9 | 175.2 | 0 | 0 | 0 | 105.2 | G88 Y89 P116 S120 F121 | G88-I114 CarbonylContact C-O 3.57Å; G88-I114 VanDerWaalsContact CA-O 3.32Å; G88-I114 WeakPolarHBondContact CA-O 3.33Å; Y89-I114 PolarHBondContact N-O 2.74Å; Y89-I114 PolarHBondContact O-N 2.77Å; I114-P116 VanDerWaalsContact O-CD 3.31Å; I114-P116 WeakPolarHBondContact O-CD 2.99Å; I114-S120 CarbonylContact C-O 3.48Å; I114-S120 WeakPolarHBondContact CA-O 3.3Å; I114-F121 HydrophobicContact CB-CB 4.43Å; I114-F121 HydrophobicContact CG1-CB 4.06Å; I114-F121 HydrophobicContact CG2-CB 4.43Å |
| 115 | D | 69.7 | Low | 66.5 | Low | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 93 | 170.2 | -173.8 | -20.6 | 0 | 0 | 0 | 108.7 | A117 R118 G119 S120 | D115-A117 VanDerWaalsContact C-N 3.25Å; D115-A117 PolarHBondContact O-N 3.04Å; D115-A117 WeakPolarHBondContact OD1-CB 3.13Å; D115-A117 PolarHBondContact OD1-N 2.89Å; D115-A117 VanDerWaalsContact OD1-N 3.08Å; D115-R118 HydrophobicContact CB-CB 4.18Å; D115-R118 CarbonylContact O-C 3.41Å; D115-R118 PolarHBondContact O-N 2.91Å; D115-R118 PolarHBondContact OD1-N 3.17Å; D115-R118 WeakPolarHBondContact OD2-CD 3.18Å; D115-R118 VanDerWaalsContact OD2-CG 3.25Å; D115-R118 WeakPolarHBondContact OD2-CG 3.24Å; D115-G119 CarbonylContact O-C 3.58Å; D115-G119 WeakPolarHBondContact O-CA 3.32Å; D115-G119 PolarHBondContact O-N 2.7Å; D115-S120 CarbonylContact C-O 3.56Å; D115-S120 PolarHBondContact N-O 2.85Å; D115-S120 PolarHBondContact O-N 2.93Å |
| 116 | P | 61.7 | Low | 66.7 | Low | 82 Ų | 82 | 58.3 Ų | 58.3 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.8 | -179.8 | 27.4 | -32.1 | 0 | 0 | 0 | 112.3 | G87 I114 R118 G119 | G87-P116 VanDerWaalsContact O-CD 3.3Å; G87-P116 WeakPolarHBondContact O-CD 2.99Å; I114-P116 VanDerWaalsContact O-CD 3.31Å; I114-P116 WeakPolarHBondContact O-CD 2.99Å; P116-R118 VanDerWaalsContact C-N 3.33Å; P116-G119 PolarHBondContact O-N 2.73Å |
| 117 | A | 63.2 | Low | 66.8 | Low | 81 Ų | 81 | 60.2 Ų | 60.2 | 67% | 0.669 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D115 | D115-A117 VanDerWaalsContact C-N 3.25Å; D115-A117 PolarHBondContact O-N 3.04Å; D115-A117 WeakPolarHBondContact OD1-CB 3.13Å; D115-A117 PolarHBondContact OD1-N 2.89Å; D115-A117 VanDerWaalsContact OD1-N 3.08Å |
| 118 | R | 64.1 | Low | 66.4 | Low | 162 Ų | 162 | 60.4 Ų | 60.4 | 61% | 0.611 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7.4 | 172.1 | -67.7 | -171.6 | 158.8 | 157.9 | -9.3 | 114.2 | D115 P116 S120 | D115-R118 HydrophobicContact CB-CB 4.18Å; D115-R118 CarbonylContact O-C 3.41Å; D115-R118 PolarHBondContact O-N 2.91Å; D115-R118 PolarHBondContact OD1-N 3.17Å; D115-R118 WeakPolarHBondContact OD2-CD 3.18Å; D115-R118 VanDerWaalsContact OD2-CG 3.25Å; D115-R118 WeakPolarHBondContact OD2-CG 3.24Å; P116-R118 VanDerWaalsContact C-N 3.33Å; R118-S120 PolarHBondContact O-N 3.08Å |
| 119 | G | 60.5 | Low | 65.8 | Low | 12 Ų | 12 | 56 Ų | 56 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 24.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D115 P116 L143 | D115-G119 CarbonylContact O-C 3.58Å; D115-G119 WeakPolarHBondContact O-CA 3.32Å; D115-G119 PolarHBondContact O-N 2.7Å; P116-G119 PolarHBondContact O-N 2.73Å; G119-L143 WeakPolarHBondContact O-CA 3.48Å; G119-L143 WeakPolarHBondContact O-CB 3.19Å; G119-L143 VanDerWaalsContact O-CG 3.25Å; G119-L143 WeakPolarHBondContact O-CG 3.16Å; G119-L143 PolarHBondContact O-N 2.95Å |
| 120 | S | 67.8 | Low | 64.9 | Low | 12 Ų | 12 | 57.4 Ų | 57.4 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143.8 | -179.1 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | I114 D115 R118 V141 | I114-S120 CarbonylContact C-O 3.48Å; I114-S120 WeakPolarHBondContact CA-O 3.3Å; D115-S120 CarbonylContact C-O 3.56Å; D115-S120 PolarHBondContact N-O 2.85Å; D115-S120 PolarHBondContact O-N 2.93Å; R118-S120 PolarHBondContact O-N 3.08Å; S120-V141 CarbonylContact C-O 3.44Å; S120-V141 WeakPolarHBondContact CA-O 3.47Å; S120-V141 WeakPolarHBondContact CB-O 3.45Å |
| 121 | F | 72.2 | Confident | 64.1 | Low | 69 Ų | 69 | 57.7 Ų | 57.7 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 143.9 | 167 | 68.3 | -86.7 | 0 | 0 | 0 | 109.5 | H113 I114 F123 F139 N140 V141 L143 | H113-F121 CarbonylContact O-C 3.54Å; H113-F121 WeakPolarHBondContact O-CA 3.31Å; I114-F121 HydrophobicContact CB-CB 4.43Å; I114-F121 HydrophobicContact CG1-CB 4.06Å; I114-F121 HydrophobicContact CG2-CB 4.43Å; F121-F123 HydrophobicContact CD2-CE2 4.21Å; F121-F139 HydrophobicContact CE2-CE2 4.31Å; F121-N140 PolarHBondContact O-OD1 2.9Å; F121-V141 HydrophobicContact CD1-CB 4.05Å; F121-V141 HydrophobicContact CD1-CG1 4.36Å; F121-V141 HydrophobicContact CD2-CB 4.38Å; F121-V141 HydrophobicContact CD2-CG2 4.44Å; F121-V141 HydrophobicContact CE1-CB 3.64Å; F121-V141 HydrophobicContact CE1-CG1 3.64Å; F121-V141 HydrophobicContact CE1-CG2 4.21Å; F121-V141 HydrophobicContact CE2-CB 4Å; F121-V141 HydrophobicContact CE2-CG2 3.76Å; F121-V141 HydrophobicContact CG-CB 4.4Å; F121-V141 HydrophobicContact CZ-CB 3.62Å; F121-V141 HydrophobicContact CZ-CG1 3.82Å; F121-V141 HydrophobicContact CZ-CG2 3.63Å; F121-V141 PolarHBondContact N-O 3.08Å; F121-V141 WeakPolarHBondContact O-CA 3.19Å; F121-V141 PolarHBondContact O-N 3.4Å; F121-L143 HydrophobicContact CD1-CD1 4.43Å; F121-L143 HydrophobicContact CE1-CD1 4.16Å; F121-L143 HydrophobicContact CE1-CD2 4.49Å; F121-L143 HydrophobicContact CE1-CG 4.35Å |
| 122 | G | 71.8 | Confident | 63.5 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 147.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G112 H113 F139 | G112-G122 CarbonylContact C-O 3.48Å; G112-G122 VanDerWaalsContact CA-O 3.24Å; G112-G122 WeakPolarHBondContact CA-O 3.24Å; H113-G122 VanDerWaalsContact CE1-CA 3.48Å; H113-G122 WeakPolarHBondContact CE1-CA 3.32Å; H113-G122 PolarHBondContact CE1-N 3.21Å; H113-G122 PolarHBondContact N-O 2.78Å; H113-G122 PolarHBondContact ND1-O 3.14Å; H113-G122 VanDerWaalsContact ND1-O 3.08Å; H113-G122 PolarHBondContact O-N 3.46Å; G122-F139 CarbonylContact C-O 3.51Å; G122-F139 WeakPolarHBondContact CA-O 3.25Å |
| 123 | F | 73.1 | Confident | 63 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.8 | 174.3 | -64.4 | -91.3 | 0 | 0 | 0 | 108.3 | G111 F121 G138 F139 | G111-F123 CarbonylContact O-C 3.45Å; G111-F123 WeakPolarHBondContact O-CA 3.16Å; F121-F123 HydrophobicContact CD2-CE2 4.21Å; F123-G138 CarbonylContact O-C 3.59Å; F123-G138 WeakPolarHBondContact O-CA 3.48Å; F123-F139 HydrophobicContact CB-CD1 4.47Å; F123-F139 HydrophobicContact CB-CE1 3.89Å; F123-F139 HydrophobicContact CB-CZ 4.04Å; F123-F139 HydrophobicContact CD2-CE1 4.12Å; F123-F139 AromaticContact CD2-CE2 3.81Å; F123-F139 HydrophobicContact CD2-CE2 3.81Å; F123-F139 AromaticContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CE2-CZ 4.23Å; F123-F139 HydrophobicContact CG-CE1 4.4Å; F123-F139 HydrophobicContact CG-CZ 4.09Å; F123-F139 PolarHBondContact N-O 2.96Å; F123-F139 PolarHBondContact O-N 3.33Å |
| 124 | S | 68.2 | Low | 62.4 | Low | 56 Ų | 56 | 70.1 Ų | 70.1 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.9 | 175 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | I110 G111 | I110-S124 CarbonylContact C-O 3.51Å; I110-S124 VanDerWaalsContact CA-O 3.31Å; I110-S124 WeakPolarHBondContact CA-O 3.25Å; G111-S124 PolarHBondContact N-O 3.28Å; G111-S124 PolarHBondContact O-N 2.77Å; G111-S124 VanDerWaalsContact O-O 3.04Å |
| 125 | R | 68.6 | Low | 61.9 | Low | 104 Ų | 104 | 69.1 Ų | 69.1 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.1 | 169.6 | -179.9 | 173.9 | 163.1 | -159.2 | -17.1 | 107.3 | R108 G109 I110 R137 | R108-R125 VanDerWaalsContact NH2-CZ 3.28Å; G109-R125 CarbonylContact O-C 3.26Å; G109-R125 VanDerWaalsContact O-CA 3.23Å; G109-R125 WeakPolarHBondContact O-CA 3.3Å; G109-R125 WeakPolarHBondContact O-CG 3.45Å; I110-R125 HydrophobicContact CG1-CB 4.15Å; I110-R125 HydrophobicContact CG1-CG 3.86Å; R125-R137 WeakPolarHBondContact CA-O 3.17Å; R125-R137 PolarHBondContact N-O 3.34Å; R125-R137 PolarHBondContact O-N 2.74Å |
| 126 | N | 63.5 | Low | 61.4 | Low | 72 Ų | 72 | 74.5 Ų | 74.5 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.8 | 172 | -167.6 | -2.6 | 0 | 0 | 0 | 109.1 | R108 G109 T135 N136 | R108-N126 CarbonylContact C-O 3.48Å; R108-N126 VanDerWaalsContact CA-O 3.29Å; R108-N126 WeakPolarHBondContact CA-O 3.14Å; G109-N126 PolarHBondContact N-O 2.75Å; G109-N126 PolarHBondContact O-N 2.7Å; G109-N126 VanDerWaalsContact O-O 3.12Å; N126-T135 CarbonylContact C-O 3.46Å; N126-T135 WeakPolarHBondContact CA-O 3.4Å; N126-T135 PolarHBondContact OD1-O 3.26Å; N126-N136 WeakPolarHBondContact CA-OD1 3.34Å; N126-N136 WeakPolarHBondContact CB-OD1 3.43Å; N126-N136 PolarHBondContact ND2-OD1 3.32Å; N126-N136 PolarHBondContact OD1-OD1 2.99Å |
| 127 | T | 61.2 | Low | 61.3 | Low | 48 Ų | 48 | 80 Ų | 80 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 124 | 165.3 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | G107 R108 T135 | G107-T127 CarbonylContact O-C 3.58Å; G107-T127 VanDerWaalsContact O-CA 3.27Å; G107-T127 WeakPolarHBondContact O-CA 3.49Å; R108-T127 HydrophobicContact CB-CG2 4.3Å; R108-T127 WeakPolarHBondContact CG-OG1 3.26Å; T127-T135 PolarHBondContact N-O 2.89Å; T127-T135 WeakPolarHBondContact O-CA 3.25Å; T127-T135 PolarHBondContact O-N 3.2Å; T127-T135 PolarHBondContact O-OG1 2.89Å |
| 128 | G | 56.5 | Low | 61.4 | Low | 17 Ų | 17 | 78.9 Ų | 78.9 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 171.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G106 G107 F133 | G106-G128 CarbonylContact C-O 3.56Å; G106-G128 WeakPolarHBondContact CA-O 3.08Å; G107-G128 PolarHBondContact N-O 3.07Å; G107-G128 PolarHBondContact O-N 3.2Å; G128-F133 CarbonylContact C-O 3.36Å; G128-F133 WeakPolarHBondContact CA-O 3.49Å |
| 129 | V | 53.1 | Low | 61.6 | Low | 44 Ų | 44 | 76.8 Ų | 76.8 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 95.2 | 167.1 | -174.4 | 0 | 0 | 0 | 0 | 107.1 | W97 V104 S105 F132 F133 | W97-V129 HydrophobicContact CH2-CB 4.2Å; W97-V129 HydrophobicContact CH2-CG1 3.44Å; W97-V129 VanDerWaalsContact CH2-CG1 3.44Å; W97-V129 HydrophobicContact CH2-CG2 3.84Å; W97-V129 HydrophobicContact CZ2-CB 4.25Å; W97-V129 HydrophobicContact CZ2-CG1 3.99Å; W97-V129 HydrophobicContact CZ2-CG2 3.48Å; W97-V129 VanDerWaalsContact CZ2-CG2 3.48Å; W97-V129 HydrophobicContact CZ3-CG1 4.31Å; V104-V129 HydrophobicContact CG1-CG1 3.42Å; V104-V129 VanDerWaalsContact CG1-CG1 3.42Å; S105-V129 CarbonylContact O-C 3.51Å; V129-F132 HydrophobicContact CG1-CD2 4.15Å; V129-F132 PolarHBondContact O-N 2.84Å; V129-F133 CarbonylContact C-O 3.45Å; V129-F133 VanDerWaalsContact C-O 3.28Å; V129-F133 PolarHBondContact N-O 2.73Å; V129-F133 PolarHBondContact O-N 3.28Å; V129-F133 VanDerWaalsContact O-O 3.09Å |
| 130 | A | 48.6 | Very low | 62.2 | Low | 46 Ų | 46 | 80.9 Ų | 80.9 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V104 S105 | V104-A130 WeakPolarHBondContact CA-O 3.41Å; V104-A130 WeakPolarHBondContact CG1-O 3.01Å; S105-A130 PolarHBondContact N-O 2.83Å; S105-A130 WeakPolarHBondContact O-CA 3.4Å; S105-A130 VanDerWaalsContact O-CB 3.27Å; S105-A130 WeakPolarHBondContact O-CB 2.91Å; S105-A130 PolarHBondContact O-N 2.76Å |
| 131 | P | 49 | Very low | 62.2 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 65% | 0.649 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.2 | -4.3 | 1.9 | 34 | -35.5 | 0 | 0 | 0 | 114.7 | ||
| 132 | F | 56.6 | Low | 62 | Low | 138 Ų | 138 | 84 Ų | 84 | 61% | 0.605 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -48.3 | -165.3 | -54.3 | -75.6 | 0 | 0 | 0 | 115 | V104 V129 | V104-F132 HydrophobicContact CG1-CD2 4.42Å; V104-F132 HydrophobicContact CG1-CE2 4.14Å; V104-F132 HydrophobicContact CG2-CE2 3.93Å; V129-F132 HydrophobicContact CG1-CD2 4.15Å; V129-F132 PolarHBondContact O-N 2.84Å |
| 133 | F | 57.6 | Low | 61.6 | Low | 165 Ų | 165 | 86.9 Ų | 86.9 | 72% | 0.724 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 136.7 | -172 | -61.7 | -74.5 | 0 | 0 | 0 | 110.9 | G128 V129 | G128-F133 CarbonylContact C-O 3.36Å; G128-F133 WeakPolarHBondContact CA-O 3.49Å; V129-F133 CarbonylContact C-O 3.45Å; V129-F133 VanDerWaalsContact C-O 3.28Å; V129-F133 PolarHBondContact N-O 2.73Å; V129-F133 PolarHBondContact O-N 3.28Å; V129-F133 VanDerWaalsContact O-O 3.09Å |
| 134 | G | 58.2 | Low | 60.9 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 62% | 0.619 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 134.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 135 | T | 54.9 | Low | 60.2 | Low | 74 Ų | 74 | 87.3 Ų | 87.3 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 111.9 | 174 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | N126 T127 | N126-T135 CarbonylContact C-O 3.46Å; N126-T135 WeakPolarHBondContact CA-O 3.4Å; N126-T135 PolarHBondContact OD1-O 3.26Å; T127-T135 PolarHBondContact N-O 2.89Å; T127-T135 WeakPolarHBondContact O-CA 3.25Å; T127-T135 PolarHBondContact O-N 3.2Å; T127-T135 PolarHBondContact O-OG1 2.89Å |
| 136 | N | 58 | Low | 59.4 | Low | 122 Ų | 122 | 87.8 Ų | 87.8 | 65% | 0.652 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.2 | 168.2 | -75.3 | -32.4 | 0 | 0 | 0 | 107.9 | N126 | N126-N136 WeakPolarHBondContact CA-OD1 3.34Å; N126-N136 WeakPolarHBondContact CB-OD1 3.43Å; N126-N136 PolarHBondContact ND2-OD1 3.32Å; N126-N136 PolarHBondContact OD1-OD1 2.99Å |
| 137 | R | 61.6 | Low | 58.8 | Low | 198 Ų | 198 | 90.6 Ų | 90.6 | 75% | 0.747 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.7 | 171.6 | -65.9 | -172.4 | -174.9 | -173.7 | 1.4 | 108.5 | R125 | R125-R137 WeakPolarHBondContact CA-O 3.17Å; R125-R137 PolarHBondContact N-O 3.34Å; R125-R137 PolarHBondContact O-N 2.74Å |
| 138 | G | 64.7 | Low | 58.2 | Low | 58 Ų | 58 | 91.2 Ų | 91.2 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 165.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F123 | F123-G138 CarbonylContact O-C 3.59Å; F123-G138 WeakPolarHBondContact O-CA 3.48Å |
| 139 | F | 68.6 | Low | 57.7 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117 | 139.4 | 166.4 | 65.4 | -88.7 | 0 | 0 | 0 | 107.7 | F121 G122 F123 V141 | F121-F139 HydrophobicContact CE2-CE2 4.31Å; G122-F139 CarbonylContact C-O 3.51Å; G122-F139 WeakPolarHBondContact CA-O 3.25Å; F123-F139 HydrophobicContact CB-CD1 4.47Å; F123-F139 HydrophobicContact CB-CE1 3.89Å; F123-F139 HydrophobicContact CB-CZ 4.04Å; F123-F139 HydrophobicContact CD2-CE1 4.12Å; F123-F139 AromaticContact CD2-CE2 3.81Å; F123-F139 HydrophobicContact CD2-CE2 3.81Å; F123-F139 AromaticContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CD2-CZ 3.39Å; F123-F139 HydrophobicContact CE2-CZ 4.23Å; F123-F139 HydrophobicContact CG-CE1 4.4Å; F123-F139 HydrophobicContact CG-CZ 4.09Å; F123-F139 PolarHBondContact N-O 2.96Å; F123-F139 PolarHBondContact O-N 3.33Å; F139-V141 HydrophobicContact CD2-CG2 3.94Å; F139-V141 HydrophobicContact CE2-CG2 4.25Å |
| 140 | N | 73 | Confident | 57.4 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.4 | 169.8 | -170 | 33.6 | 0 | 0 | 0 | 107.1 | H113 F121 | H113-N140 PolarHBondContact CE1-OD1 2.76Å; H113-N140 PolarHBondContact NE2-OD1 2.72Å; F121-N140 PolarHBondContact O-OD1 2.9Å |
| 141 | V | 66.8 | Low | 56.9 | Low | 46 Ų | 46 | 110 Ų | 110 | 28% | 0.279 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.8 | 174 | -177 | 0 | 0 | 0 | 0 | 106.4 | S120 F121 F139 L143 | S120-V141 CarbonylContact C-O 3.44Å; S120-V141 WeakPolarHBondContact CA-O 3.47Å; S120-V141 WeakPolarHBondContact CB-O 3.45Å; F121-V141 HydrophobicContact CD1-CB 4.05Å; F121-V141 HydrophobicContact CD1-CG1 4.36Å; F121-V141 HydrophobicContact CD2-CB 4.38Å; F121-V141 HydrophobicContact CD2-CG2 4.44Å; F121-V141 HydrophobicContact CE1-CB 3.64Å; F121-V141 HydrophobicContact CE1-CG1 3.64Å; F121-V141 HydrophobicContact CE1-CG2 4.21Å; F121-V141 HydrophobicContact CE2-CB 4Å; F121-V141 HydrophobicContact CE2-CG2 3.76Å; F121-V141 HydrophobicContact CG-CB 4.4Å; F121-V141 HydrophobicContact CZ-CB 3.62Å; F121-V141 HydrophobicContact CZ-CG1 3.82Å; F121-V141 HydrophobicContact CZ-CG2 3.63Å; F121-V141 PolarHBondContact N-O 3.08Å; F121-V141 WeakPolarHBondContact O-CA 3.19Å; F121-V141 PolarHBondContact O-N 3.4Å; F139-V141 HydrophobicContact CD2-CG2 3.94Å; F139-V141 HydrophobicContact CE2-CG2 4.25Å; V141-L143 HydrophobicContact CG1-CD2 3.67Å; V141-L143 HydrophobicContact CG1-CG 4.19Å |
| 142 | D | 67.8 | Low | 57.3 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 54% | 0.54 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.2 | 170.2 | -168.3 | -17.6 | 0 | 0 | 0 | 107.8 | G144 | D142-G144 VanDerWaalsContact C-N 3.3Å; D142-G144 WeakPolarHBondContact OD1-CA 3.48Å; D142-G144 PolarHBondContact OD1-N 3.18Å |
| 143 | L | 64.2 | Low | 57.4 | Low | 62 Ų | 62 | 109.1 Ų | 109.1 | 33% | 0.325 | 63% | 0.63 | S | S | . | * | trans | -88 | 1.2 | 176.2 | -52.7 | 172.2 | 0 | 0 | 0 | 112 | G119 F121 V141 D145 L146 L147 | G119-L143 WeakPolarHBondContact O-CA 3.48Å; G119-L143 WeakPolarHBondContact O-CB 3.19Å; G119-L143 VanDerWaalsContact O-CG 3.25Å; G119-L143 WeakPolarHBondContact O-CG 3.16Å; G119-L143 PolarHBondContact O-N 2.95Å; F121-L143 HydrophobicContact CD1-CD1 4.43Å; F121-L143 HydrophobicContact CE1-CD1 4.16Å; F121-L143 HydrophobicContact CE1-CD2 4.49Å; F121-L143 HydrophobicContact CE1-CG 4.35Å; V141-L143 HydrophobicContact CG1-CD2 3.67Å; V141-L143 HydrophobicContact CG1-CG 4.19Å; L143-D145 PolarHBondContact O-N 2.85Å; L143-L146 HydrophobicContact CD2-CD1 3.71Å; L143-L146 PolarHBondContact O-N 3.04Å; L143-L147 PolarHBondContact O-N 2.93Å | ||
| 144 | G | 58.3 | Low | 57.4 | Low | 36 Ų | 36 | 106 Ų | 106 | 37% | 0.371 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -53.7 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D142 G148 | D142-G144 VanDerWaalsContact C-N 3.3Å; D142-G144 WeakPolarHBondContact OD1-CA 3.48Å; D142-G144 PolarHBondContact OD1-N 3.18Å; G144-G148 PolarHBondContact O-N 3.24Å |
| 145 | D | 52.9 | Low | 57.3 | Low | 128 Ų | 128 | 108.7 Ų | 108.7 | 68% | 0.684 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78 | -19.2 | 178.5 | -128.6 | 18.7 | 0 | 0 | 0 | 113.5 | L143 | L143-D145 PolarHBondContact O-N 2.85Å |
| 146 | L | 52.4 | Low | 57.5 | Low | 114 Ų | 114 | 110.9 Ų | 110.9 | 60% | 0.597 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -84.3 | -34.9 | 175 | -84.7 | 158.8 | 0 | 0 | 0 | 112.2 | L143 | L143-L146 HydrophobicContact CD2-CD1 3.71Å; L143-L146 PolarHBondContact O-N 3.04Å |
| 147 | L | 51 | Low | 57.4 | Low | 131 Ų | 131 | 110.1 Ų | 110.1 | 69% | 0.686 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.5 | -31.9 | 174.9 | -77.8 | 162.7 | 0 | 0 | 0 | 111.9 | L143 R149 | L143-L147 PolarHBondContact O-N 2.93Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.43Å |
| 148 | G | 48.6 | Very low | 57.1 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -14.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G144 | G144-G148 PolarHBondContact O-N 3.24Š|
| 149 | R | 45.7 | Very low | 56.6 | Low | 211 Ų | 211 | 107.4 Ų | 107.4 | 80% | 0.796 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -7.2 | -177.6 | -83.6 | -171 | -176.6 | -173.4 | 3.6 | 116.1 | L147 | L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.43Å |
| 150 | N | 46.6 | Very low | 55.5 | Low | 155 Ų | 155 | 106.6 Ų | 106.6 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | trans | -115.2 | 13.5 | 179.3 | -77.8 | -39.4 | 0 | 0 | 0 | 113.9 | ||||
| 151 | G | 39.2 | Very low | 54 | Low | 136 Ų | 136 | 107.4 Ų | 107.4 | 100% | 1.402 | 65% | 0.649 | S | S | * | * | trans | -104.2 | 0 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 151 of 151 residues in 60.4 ms
(Link to these results)