| 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 | 40.8 | Very low | 54.9 | Low | 234 Ų | 234 | 101.5 Ų | 101.5 | 100% | 1.153 | 52% | 0.516 | S | S | * | . | 0 | 96.6 | 0 | -156.6 | 163.5 | -177.3 | 0 | 0 | 106 | C3 | M1-C3 PolarHBondContact O-N 2.94Š| |||
| 2 | I | 38.9 | Very low | 55.4 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | trans | -82.1 | 111.8 | -170.3 | -57.9 | 178.5 | 0 | 0 | 0 | 106.9 | V4 F38 | I2-V4 PolarHBondContact O-N 3.3Å; I2-V4 VanDerWaalsContact O-N 3.12Å; I2-F38 HydrophobicContact CD1-CD2 4.27Å; I2-F38 HydrophobicContact CD1-CE2 3.52Å; I2-F38 HydrophobicContact CD1-CZ 4.25Å | ||
| 3 | C | 37.1 | Very low | 55.4 | Low | 112 Ų | 112 | 103.7 Ų | 103.7 | 76% | 0.757 | 52% | 0.519 | S | S | * | . | trans | -66.4 | 108.1 | 178.1 | -71.1 | 0 | 0 | 0 | 0 | 109.4 | M1 N5 | M1-C3 PolarHBondContact O-N 2.94Å; C3-N5 PolarHBondContact O-N 3.2Å | ||
| 4 | V | 55.5 | Low | 55.6 | Low | 43 Ų | 43 | 98.6 Ų | 98.6 | 26% | 0.261 | 50% | 0.498 | S | S | . | . | trans | -69.9 | 111.7 | 159.4 | -172.3 | 0 | 0 | 0 | 0 | 105.9 | I2 C6 | I2-V4 PolarHBondContact O-N 3.3Å; I2-V4 VanDerWaalsContact O-N 3.12Å; V4-C6 WeakPolarHBondContact CG1-SG 3.38Å; V4-C6 PolarHBondContact O-N 2.8Å | ||
| 5 | N | 56.6 | Low | 55.8 | Low | 122 Ų | 122 | 96.6 Ų | 96.6 | 65% | 0.652 | 49% | 0.486 | S | S | * | . | trans | -73.5 | 81.9 | 172.3 | -103.4 | -5.3 | 0 | 0 | 0 | 108.6 | C3 A34 | C3-N5 PolarHBondContact O-N 3.2Å; N5-A34 HydrophobicContact CB-CB 3.93Å; N5-A34 WeakPolarHBondContact O-CB 3.34Å; N5-A34 PolarHBondContact O-N 2.85Å | ||
| 6 | C | 60.2 | Low | 56.1 | Low | 14 Ų | 14 | 94.5 Ų | 94.5 | 10% | 0.095 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.7 | 168.5 | -65.5 | 0 | 0 | 0 | 0 | 107.8 | V4 Y8 C42 | V4-C6 WeakPolarHBondContact CG1-SG 3.38Å; V4-C6 PolarHBondContact O-N 2.8Å; C6-Y8 HydrophobicContact CB-CD1 3.72Å; C6-Y8 HydrophobicContact CB-CE1 3.39Å; C6-Y8 WeakPolarHBondContact O-CD1 3.17Å; C6-Y8 WeakPolarHBondContact O-CE1 3.23Å; C6-Y8 VanDerWaalsContact O-CZ 3.23Å; C6-C42 WeakPolarHBondContact CA-SG 3.47Å; C6-C42 HydrophobicContact CB-CB 3.97Å; C6-C42 WeakPolarHBondContact CB-SG 3.45Å; C6-C42 WeakPolarHBondContact SG-CA 3.4Å; C6-C42 WeakPolarHBondContact SG-CB 3.17Å; C6-C42 CovalentContact SG-SG 2.03Å; C6-C42 PolarHBondContact SG-SG 2.73Å |
| 7 | N | 66.1 | Low | 56.5 | Low | 85 Ų | 85 | 89.9 Ų | 89.9 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.6 | 171.8 | -156 | -12 | 0 | 0 | 0 | 107.9 | I30 L31 S32 | N7-I30 CarbonylContact O-C 3.54Å; N7-L31 HydrophobicContact CB-CB 4.25Å; N7-L31 PolarHBondContact O-N 3.11Å; N7-S32 VanDerWaalsContact CB-OG 3.27Å; N7-S32 WeakPolarHBondContact CB-OG 3.24Å; N7-S32 PolarHBondContact N-O 2.8Å; N7-S32 PolarHBondContact O-N 2.84Å |
| 8 | Y | 64.5 | Low | 56.9 | Low | 125 Ų | 125 | 92.3 Ų | 92.3 | 49% | 0.49 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.4 | -175.9 | 9.6 | -107.5 | 0 | 0 | 0 | 111.1 | C6 V28 S29 W50 | C6-Y8 HydrophobicContact CB-CD1 3.72Å; C6-Y8 HydrophobicContact CB-CE1 3.39Å; C6-Y8 WeakPolarHBondContact O-CD1 3.17Å; C6-Y8 WeakPolarHBondContact O-CE1 3.23Å; C6-Y8 VanDerWaalsContact O-CZ 3.23Å; Y8-V28 HydrophobicContact CD1-CG1 4.43Å; Y8-V28 HydrophobicContact CG-CG1 4.41Å; Y8-S29 CarbonylContact C-O 3.58Å; Y8-S29 WeakPolarHBondContact CA-O 3.34Å; Y8-W50 HydrophobicContact CD2-CH2 4.48Å |
| 9 | K | 65 | Low | 57.5 | Low | 120 Ų | 120 | 93.7 Ų | 93.7 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.7 | 165.4 | -169.7 | 170.6 | 177.5 | -177.4 | 0 | 108.8 | V11 S29 L31 | K9-V11 HydrophobicContact CB-CG2 4.24Å; K9-V11 HydrophobicContact CD-CG2 4.4Å; K9-V11 HydrophobicContact CG-CG2 4.1Å; K9-V11 PolarHBondContact O-N 2.83Å; K9-S29 PolarHBondContact N-O 3.41Å; K9-S29 PolarHBondContact O-N 2.82Å; K9-L31 HydrophobicContact CB-CD1 3.71Å; K9-L31 HydrophobicContact CB-CD2 3.78Å; K9-L31 HydrophobicContact CB-CG 3.6Å; K9-L31 HydrophobicContact CD-CD1 4.44Å; K9-L31 HydrophobicContact CD-CD2 3.94Å; K9-L31 HydrophobicContact CG-CD1 4.49Å |
| 10 | K | 60.7 | Low | 58.4 | Low | 108 Ų | 108 | 91.7 Ų | 91.7 | 47% | 0.47 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 114.2 | 164.2 | -175.1 | 177.3 | 176.9 | -174.9 | 0 | 107.7 | Y26 W50 | K10-Y26 HydrophobicContact CD-CD1 4.14Å; K10-Y26 HydrophobicContact CD-CE1 4.44Å; K10-Y26 HydrophobicContact CG-CD1 3.94Å; K10-Y26 HydrophobicContact CG-CG 4.38Å; K10-W50 HydrophobicContact CB-CH2 4.41Å; K10-W50 HydrophobicContact CB-CZ3 4.25Å |
| 11 | V | 58.8 | Low | 58.8 | Low | 35 Ų | 35 | 93 Ų | 93 | 21% | 0.212 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.8 | 174.2 | -165.8 | 0 | 0 | 0 | 0 | 108.4 | K9 H13 A27 | K9-V11 HydrophobicContact CB-CG2 4.24Å; K9-V11 HydrophobicContact CD-CG2 4.4Å; K9-V11 HydrophobicContact CG-CG2 4.1Å; K9-V11 PolarHBondContact O-N 2.83Å; V11-H13 WeakPolarHBondContact CG1-CD2 3.47Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.49Å; V11-H13 PolarHBondContact O-N 2.9Å; V11-A27 PolarHBondContact N-O 2.99Å; V11-A27 VanDerWaalsContact N-O 3.17Å; V11-A27 PolarHBondContact O-N 2.83Å; V11-A27 VanDerWaalsContact O-N 3.12Å |
| 12 | E | 61 | Low | 59.8 | Low | 121 Ų | 121 | 86.6 Ų | 86.6 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 85 | -180 | -59.9 | -156 | 151.4 | 0 | 0 | 110.4 | K25 Y26 | E12-K25 CarbonylContact C-O 3.53Å; E12-K25 WeakPolarHBondContact CA-O 3.5Å; E12-Y26 HydrophobicContact CG-CD1 4.16Å; E12-Y26 HydrophobicContact CG-CE1 3.92Å |
| 13 | H | 55.6 | Low | 60.7 | Low | 110 Ų | 110 | 85.2 Ų | 85.2 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.8 | 172.8 | -68.9 | -54.6 | 0 | 0 | 0 | 110 | V11 H15 K25 Y26 | V11-H13 WeakPolarHBondContact CG1-CD2 3.47Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.49Å; V11-H13 PolarHBondContact O-N 2.9Å; H13-H15 PolarHBondContact O-N 2.74Å; H13-K25 CarbonylContact C-O 3.59Å; H13-K25 PolarHBondContact N-O 2.7Å; H13-K25 VanDerWaalsContact N-O 3.11Å; H13-K25 CarbonylContact O-C 3.5Å; H13-Y26 PolarHBondContact O-N 2.98Å |
| 14 | C | 58.3 | Low | 61.9 | Low | 32 Ų | 32 | 80.3 Ų | 80.3 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | W23 Y24 C57 | C14-W23 HydrophobicContact CB-CE3 3.97Å; C14-W23 HydrophobicContact CB-CZ3 4.15Å; C14-Y24 CarbonylContact C-O 3.48Å; C14-Y24 WeakPolarHBondContact CA-O 3.42Å; C14-C57 WeakPolarHBondContact CA-SG 3.06Å; C14-C57 HydrophobicContact CB-CB 3.72Å; C14-C57 WeakPolarHBondContact CB-SG 2.99Å; C14-C57 WeakPolarHBondContact SG-CA 3.42Å; C14-C57 WeakPolarHBondContact SG-CB 3.2Å; C14-C57 CovalentContact SG-SG 2.04Å; C14-C57 PolarHBondContact SG-SG 3.5Å |
| 15 | H | 58.3 | Low | 62 | Low | 69 Ų | 69 | 80.7 Ų | 80.7 | 32% | 0.319 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.9 | 179.3 | 179.2 | 80.6 | 0 | 0 | 0 | 109.4 | H13 W23 Y24 A27 I46 | H13-H15 PolarHBondContact O-N 2.74Å; H15-W23 CarbonylContact O-C 3.59Å; H15-W23 WeakPolarHBondContact O-CA 2.98Å; H15-Y24 PolarHBondContact N-O 2.88Å; H15-Y24 PolarHBondContact O-N 2.79Å; H15-A27 HydrophobicContact CB-CB 4.48Å; H15-I46 HydrophobicContact CB-CD1 3.99Å; H15-I46 WeakPolarHBondContact CD2-CD1 3.32Å |
| 16 | F | 60.8 | Low | 62.2 | Low | 63 Ų | 63 | 76.1 Ų | 76.1 | 28% | 0.276 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.6 | 172 | -174.6 | -106.9 | 0 | 0 | 0 | 109.1 | D18 N21 K22 W23 | F16-D18 VanDerWaalsContact CD1-OD1 3.22Å; F16-D18 WeakPolarHBondContact CD1-OD1 3.26Å; F16-D18 VanDerWaalsContact CE1-OD1 3.28Å; F16-D18 WeakPolarHBondContact CE1-OD1 3.38Å; F16-N21 VanDerWaalsContact CE2-C 3.45Å; F16-N21 HydrophobicContact CE2-CB 4.46Å; F16-N21 HydrophobicContact CZ-CB 4.01Å; F16-K22 WeakPolarHBondContact CA-O 3Å; F16-W23 HydrophobicContact CB-CD2 3.89Å; F16-W23 HydrophobicContact CB-CE3 3.91Å; F16-W23 HydrophobicContact CB-CH2 3.86Å; F16-W23 HydrophobicContact CB-CZ2 3.83Å; F16-W23 HydrophobicContact CB-CZ3 3.9Å; F16-W23 AromaticContact CD2-CD1 3.64Å; F16-W23 AromaticContact CD2-CD2 3.96Å; F16-W23 HydrophobicContact CD2-CD2 3.96Å; F16-W23 AromaticContact CD2-CE2 3.58Å; F16-W23 HydrophobicContact CD2-CG 4.02Å; F16-W23 HydrophobicContact CD2-CZ2 4.14Å; F16-W23 AromaticContact CD2-NE1 3.35Å; F16-W23 VanDerWaalsContact CD2-NE1 3.35Å; F16-W23 AromaticContact CE2-NE1 3.93Å; F16-W23 HydrophobicContact CG-CD2 4.42Å; F16-W23 HydrophobicContact CG-CZ2 4.25Å |
| 17 | D | 63.2 | Low | 62.1 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.5 | 175.4 | -170.8 | -34.8 | 0 | 0 | 0 | 109.7 | T19 D20 N21 K22 Y24 K51 | D17-T19 PolarHBondContact O-N 3.08Å; D17-T19 VanDerWaalsContact O-N 3.14Å; D17-T19 VanDerWaalsContact OD1-CB 3.3Å; D17-T19 WeakPolarHBondContact OD1-CB 3.42Å; D17-T19 PolarHBondContact OD1-N 3.21Å; D17-T19 PolarHBondContact OD1-OG1 2.76Å; D17-D20 WeakPolarHBondContact CB-OD1 3.15Å; D17-D20 PolarHBondContact O-N 2.79Å; D17-N21 WeakPolarHBondContact O-CA 3.5Å; D17-N21 PolarHBondContact O-N 2.01Å; D17-K22 PolarHBondContact N-O 3.11Å; D17-Y24 HydrophobicContact CB-CD2 3.85Å; D17-Y24 HydrophobicContact CB-CE2 3.58Å; D17-K51 WeakPolarHBondContact OD2-CE 3.29Å; D17-K51 IonicContact OD2-NZ 3.13Å; D17-K51 PolarHBondContact OD2-NZ 2.94Å |
| 18 | D | 63.6 | Low | 61.5 | Low | 132 Ų | 132 | 73.9 Ų | 73.9 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.7 | -179 | -65 | -37 | 0 | 0 | 0 | 113.1 | F16 | F16-D18 VanDerWaalsContact CD1-OD1 3.22Å; F16-D18 WeakPolarHBondContact CD1-OD1 3.26Å; F16-D18 VanDerWaalsContact CE1-OD1 3.28Å; F16-D18 WeakPolarHBondContact CE1-OD1 3.38Å |
| 19 | T | 68.3 | Low | 61.1 | Low | 120 Ų | 120 | 70.3 Ų | 70.3 | 74% | 0.736 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -30.8 | -178.2 | 67.2 | 0 | 0 | 0 | 0 | 113 | D17 | D17-T19 PolarHBondContact O-N 3.08Å; D17-T19 VanDerWaalsContact O-N 3.14Å; D17-T19 VanDerWaalsContact OD1-CB 3.3Å; D17-T19 WeakPolarHBondContact OD1-CB 3.42Å; D17-T19 PolarHBondContact OD1-N 3.21Å; D17-T19 PolarHBondContact OD1-OG1 2.76Å |
| 20 | D | 75.7 | Confident | 60.8 | Low | 52 Ų | 52 | 67.2 Ų | 67.2 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 1.6 | 179.8 | 55.8 | 37 | 0 | 0 | 0 | 113.9 | D17 K22 Y24 K51 | D17-D20 WeakPolarHBondContact CB-OD1 3.15Å; D17-D20 PolarHBondContact O-N 2.79Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.28Å; D20-K22 WeakPolarHBondContact OD1-CB 3.49Å; D20-K22 PolarHBondContact OD1-N 3.05Å; D20-Y24 PolarHBondContact OD2-OH 3.05Å; D20-K51 IonicContact OD2-NZ 3.91Å; D20-K51 PolarHBondContact OD2-NZ 2.9Å |
| 21 | N | 65 | Low | 60.7 | Low | 121 Ų | 121 | 66.7 Ų | 66.7 | 65% | 0.647 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 36.9 | -178.1 | -63.8 | -51.1 | 0 | 0 | 0 | 113 | F16 D17 | F16-N21 VanDerWaalsContact CE2-C 3.45Å; F16-N21 HydrophobicContact CE2-CB 4.46Å; F16-N21 HydrophobicContact CZ-CB 4.01Å; D17-N21 WeakPolarHBondContact O-CA 3.5Å; D17-N21 PolarHBondContact O-N 2.01Å |
| 22 | K | 63.3 | Low | 60.7 | Low | 99 Ų | 99 | 67.9 Ų | 67.9 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 157.3 | 179.7 | -64.6 | 179.8 | 177.1 | -172.5 | 0 | 112.9 | F16 D17 D20 Y24 | F16-K22 WeakPolarHBondContact CA-O 3Å; D17-K22 PolarHBondContact N-O 3.11Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.28Å; D20-K22 WeakPolarHBondContact OD1-CB 3.49Å; D20-K22 PolarHBondContact OD1-N 3.05Å; K22-Y24 HydrophobicContact CB-CE2 4.19Å |
| 23 | W | 58.2 | Low | 60.4 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.9 | 174 | -71.9 | 90.1 | 0 | 0 | 0 | 111.7 | C14 H15 F16 | C14-W23 HydrophobicContact CB-CE3 3.97Å; C14-W23 HydrophobicContact CB-CZ3 4.15Å; H15-W23 CarbonylContact O-C 3.59Å; H15-W23 WeakPolarHBondContact O-CA 2.98Å; F16-W23 HydrophobicContact CB-CD2 3.89Å; F16-W23 HydrophobicContact CB-CE3 3.91Å; F16-W23 HydrophobicContact CB-CH2 3.86Å; F16-W23 HydrophobicContact CB-CZ2 3.83Å; F16-W23 HydrophobicContact CB-CZ3 3.9Å; F16-W23 AromaticContact CD2-CD1 3.64Å; F16-W23 AromaticContact CD2-CD2 3.96Å; F16-W23 HydrophobicContact CD2-CD2 3.96Å; F16-W23 AromaticContact CD2-CE2 3.58Å; F16-W23 HydrophobicContact CD2-CG 4.02Å; F16-W23 HydrophobicContact CD2-CZ2 4.14Å; F16-W23 AromaticContact CD2-NE1 3.35Å; F16-W23 VanDerWaalsContact CD2-NE1 3.35Å; F16-W23 AromaticContact CE2-NE1 3.93Å; F16-W23 HydrophobicContact CG-CD2 4.42Å; F16-W23 HydrophobicContact CG-CZ2 4.25Å |
| 24 | Y | 61.1 | Low | 60.2 | Low | 9 Ų | 9 | 64.4 Ų | 64.4 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.1 | 177.6 | -63.1 | -70 | 0 | 0 | 0 | 110.8 | C14 H15 D17 D20 K22 Y26 I46 K51 | C14-Y24 CarbonylContact C-O 3.48Å; C14-Y24 WeakPolarHBondContact CA-O 3.42Å; H15-Y24 PolarHBondContact N-O 2.88Å; H15-Y24 PolarHBondContact O-N 2.79Å; D17-Y24 HydrophobicContact CB-CD2 3.85Å; D17-Y24 HydrophobicContact CB-CE2 3.58Å; D20-Y24 PolarHBondContact OD2-OH 3.05Å; K22-Y24 HydrophobicContact CB-CE2 4.19Å; Y24-Y26 VanDerWaalsContact C-N 3.27Å; Y24-Y26 PolarHBondContact O-N 2.96Å; Y24-I46 HydrophobicContact CD2-CD1 3.95Å; Y24-I46 HydrophobicContact CG-CD1 4.01Å; Y24-K51 HydrophobicContact CD1-CB 3.91Å; Y24-K51 HydrophobicContact CD1-CG 4.22Å; Y24-K51 HydrophobicContact CD2-CG 4.39Å; Y24-K51 HydrophobicContact CE1-CB 3.49Å; Y24-K51 VanDerWaalsContact CE1-CB 3.49Å; Y24-K51 HydrophobicContact CE1-CD 4.32Å; Y24-K51 HydrophobicContact CE1-CG 3.91Å; Y24-K51 HydrophobicContact CE2-CD 4.05Å; Y24-K51 HydrophobicContact CE2-CG 4.06Å; Y24-K51 HydrophobicContact CG-CG 4.45Å |
| 25 | K | 58.2 | Low | 59.9 | Low | 52 Ų | 52 | 72 Ų | 72 | 23% | 0.226 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -5.7 | -179.2 | -161.3 | -178.7 | -174.9 | 168.5 | 0 | 115.4 | E12 H13 S54 T56 C57 | E12-K25 CarbonylContact C-O 3.53Å; E12-K25 WeakPolarHBondContact CA-O 3.5Å; H13-K25 CarbonylContact C-O 3.59Å; H13-K25 PolarHBondContact N-O 2.7Å; H13-K25 VanDerWaalsContact N-O 3.11Å; H13-K25 CarbonylContact O-C 3.5Å; K25-S54 VanDerWaalsContact CB-CB 3.43Å; K25-S54 WeakPolarHBondContact CB-OG 3.21Å; K25-T56 WeakPolarHBondContact CD-OG1 3.01Å; K25-T56 WeakPolarHBondContact CE-OG1 3.45Å; K25-T56 PolarHBondContact NZ-OG1 3.47Å; K25-C57 WeakPolarHBondContact CA-SG 3.28Å |
| 26 | Y | 61.2 | Low | 59.5 | Low | 26 Ų | 26 | 69.5 Ų | 69.5 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 115.1 | -168.9 | -53.1 | -66.2 | 0 | 0 | 0 | 107.9 | K10 E12 H13 Y24 I46 R52 | K10-Y26 HydrophobicContact CD-CD1 4.14Å; K10-Y26 HydrophobicContact CD-CE1 4.44Å; K10-Y26 HydrophobicContact CG-CD1 3.94Å; K10-Y26 HydrophobicContact CG-CG 4.38Å; E12-Y26 HydrophobicContact CG-CD1 4.16Å; E12-Y26 HydrophobicContact CG-CE1 3.92Å; H13-Y26 PolarHBondContact O-N 2.98Å; Y24-Y26 VanDerWaalsContact C-N 3.27Å; Y24-Y26 PolarHBondContact O-N 2.96Å; Y26-I46 WeakPolarHBondContact O-CD1 3.25Å; Y26-I46 VanDerWaalsContact O-CG1 3.28Å; Y26-I46 WeakPolarHBondContact O-CG1 3.34Å; Y26-R52 HydrophobicContact CE2-CB 4.39Å |
| 27 | A | 56.7 | Low | 59.2 | Low | 24 Ų | 24 | 72 Ų | 72 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 147.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V11 H15 S29 | V11-A27 PolarHBondContact N-O 2.99Å; V11-A27 VanDerWaalsContact N-O 3.17Å; V11-A27 PolarHBondContact O-N 2.83Å; V11-A27 VanDerWaalsContact O-N 3.12Å; H15-A27 HydrophobicContact CB-CB 4.48Å; A27-S29 PolarHBondContact O-N 3.15Å |
| 28 | V | 54.8 | Low | 59 | Low | 27 Ų | 27 | 77.9 Ų | 77.9 | 16% | 0.164 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 114.6 | 163.7 | -179.1 | 0 | 0 | 0 | 0 | 107 | Y8 I30 P47 W50 | Y8-V28 HydrophobicContact CD1-CG1 4.43Å; Y8-V28 HydrophobicContact CG-CG1 4.41Å; V28-I30 HydrophobicContact CG1-CG1 4.46Å; V28-P47 HydrophobicContact CG2-CG 4.26Å; V28-W50 HydrophobicContact CB-CZ3 4.38Å; V28-W50 HydrophobicContact CG2-CE3 3.82Å; V28-W50 HydrophobicContact CG2-CZ3 3.63Å |
| 29 | S | 56.3 | Low | 58.7 | Low | 51 Ų | 51 | 74.9 Ų | 74.9 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.3 | 161 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | Y8 K9 A27 L31 | Y8-S29 CarbonylContact C-O 3.58Å; Y8-S29 WeakPolarHBondContact CA-O 3.34Å; K9-S29 PolarHBondContact N-O 3.41Å; K9-S29 PolarHBondContact O-N 2.82Å; A27-S29 PolarHBondContact O-N 3.15Å; S29-L31 PolarHBondContact O-N 3.22Å |
| 30 | I | 57.1 | Low | 58.3 | Low | 54 Ų | 54 | 73.8 Ų | 73.8 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 106.8 | 172.1 | -63 | 168.9 | 0 | 0 | 0 | 106.5 | N7 V28 Q33 C42 | N7-I30 CarbonylContact O-C 3.54Å; V28-I30 HydrophobicContact CG1-CG1 4.46Å; I30-Q33 HydrophobicContact CG2-CB 4.43Å; I30-Q33 HydrophobicContact CG2-CG 3.85Å; I30-C42 HydrophobicContact CD1-CB 3.72Å; I30-C42 HydrophobicContact CG1-CB 4.32Å |
| 31 | L | 60 | Low | 57.3 | Low | 98 Ų | 98 | 75.3 Ų | 75.3 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -34.3 | 175.9 | -70.3 | 178.4 | 0 | 0 | 0 | 111.6 | N7 K9 S29 | N7-L31 HydrophobicContact CB-CB 4.25Å; N7-L31 PolarHBondContact O-N 3.11Å; K9-L31 HydrophobicContact CB-CD1 3.71Å; K9-L31 HydrophobicContact CB-CD2 3.78Å; K9-L31 HydrophobicContact CB-CG 3.6Å; K9-L31 HydrophobicContact CD-CD1 4.44Å; K9-L31 HydrophobicContact CD-CD2 3.94Å; K9-L31 HydrophobicContact CG-CD1 4.49Å; S29-L31 PolarHBondContact O-N 3.22Å |
| 32 | S | 58.9 | Low | 56.8 | Low | 60 Ų | 60 | 69.7 Ų | 69.7 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 138.6 | 170.6 | 59 | 0 | 0 | 0 | 0 | 110.5 | N7 | N7-S32 VanDerWaalsContact CB-OG 3.27Å; N7-S32 WeakPolarHBondContact CB-OG 3.24Å; N7-S32 PolarHBondContact N-O 2.8Å; N7-S32 PolarHBondContact O-N 2.84Å |
| 33 | Q | 53.1 | Low | 56.7 | Low | 110 Ų | 110 | 69.4 Ų | 69.4 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111.5 | 165.2 | -101.1 | 167.5 | 24.2 | 0 | 0 | 107 | I30 Q35 C42 | I30-Q33 HydrophobicContact CG2-CB 4.43Å; I30-Q33 HydrophobicContact CG2-CG 3.85Å; Q33-Q35 PolarHBondContact O-N 2.04Å; Q33-C42 HydrophobicContact CG-CB 3.9Å; Q33-C42 WeakPolarHBondContact CG-SG 3.01Å |
| 34 | A | 51.5 | Low | 56.6 | Low | 48 Ų | 48 | 72 Ų | 72 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | trans | -66.7 | 122.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | N5 S36 | N5-A34 HydrophobicContact CB-CB 3.93Å; N5-A34 WeakPolarHBondContact O-CB 3.34Å; N5-A34 PolarHBondContact O-N 2.85Å; A34-S36 PolarHBondContact O-N 3.17Å | ||
| 35 | Q | 52.7 | Low | 56.4 | Low | 191 Ų | 191 | 73.6 Ų | 73.6 | 89% | 0.893 | 43% | 0.433 | S | S | * | . | trans | -56.7 | 112.6 | 174 | -83.9 | 175.1 | -23.9 | 0 | 0 | 108.5 | Q33 | Q33-Q35 PolarHBondContact O-N 2.04Š| ||
| 36 | S | 49.8 | Very low | 56.5 | Low | 17 Ų | 17 | 71.6 Ų | 71.6 | 12% | 0.119 | 42% | 0.424 | C | S | . | . | trans | -68.1 | 143.2 | 169.7 | 81.4 | 0 | 0 | 0 | 0 | 108.5 | A34 F38 G39 I40 | A34-S36 PolarHBondContact O-N 3.17Å; S36-F38 PolarHBondContact O-N 2.86Å; S36-G39 PolarHBondContact O-N 3.19Å; S36-G39 VanDerWaalsContact O-N 3.09Å; S36-G39 PolarHBondContact OG-N 3.5Å; S36-I40 WeakPolarHBondContact OG-CB 3.19Å; S36-I40 PolarHBondContact OG-N 2.04Å; S36-I40 PolarHBondContact OG-O 3.25Å | ||
| 37 | P | 54.6 | Low | 56.7 | Low | 116 Ų | 116 | 72.1 Ų | 72.1 | 75% | 0.753 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11.8 | 176.9 | -22.1 | 30.9 | 0 | 0 | 0 | 114.1 | ||
| 38 | F | 59.7 | Low | 57.3 | Low | 140 Ų | 140 | 81.7 Ų | 81.7 | 61% | 0.614 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 7.7 | -175.9 | -59.7 | -78.9 | 0 | 0 | 0 | 113.3 | I2 S36 I40 | I2-F38 HydrophobicContact CD1-CD2 4.27Å; I2-F38 HydrophobicContact CD1-CE2 3.52Å; I2-F38 HydrophobicContact CD1-CZ 4.25Å; S36-F38 PolarHBondContact O-N 2.86Å; F38-I40 HydrophobicContact CB-CD1 3.97Å; F38-I40 HydrophobicContact CB-CG1 3.96Å; F38-I40 PolarHBondContact O-N 3.5Å; F38-I40 VanDerWaalsContact O-N 3.13Å |
| 39 | G | 57.4 | Low | 58 | Low | 68 Ų | 68 | 88 Ų | 88 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | trans | 65.9 | 14 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S36 P41 | S36-G39 PolarHBondContact O-N 3.19Å; S36-G39 VanDerWaalsContact O-N 3.09Å; S36-G39 PolarHBondContact OG-N 3.5Å; G39-P41 VanDerWaalsContact O-CD 3.27Å; G39-P41 WeakPolarHBondContact O-CD 3Å | ||
| 40 | I | 58.7 | Low | 58.4 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | trans | -69.5 | 115.6 | 176.5 | -57.2 | 169.3 | 0 | 0 | 0 | 107.6 | S36 F38 | S36-I40 WeakPolarHBondContact OG-CB 3.19Å; S36-I40 PolarHBondContact OG-N 2.04Å; S36-I40 PolarHBondContact OG-O 3.25Å; F38-I40 HydrophobicContact CB-CD1 3.97Å; F38-I40 HydrophobicContact CB-CG1 3.96Å; F38-I40 PolarHBondContact O-N 3.5Å; F38-I40 VanDerWaalsContact O-N 3.13Å | ||
| 41 | P | 54.5 | Low | 58.7 | Low | 84 Ų | 84 | 88.6 Ų | 88.6 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 157.1 | 177.7 | 29.8 | -33.8 | 0 | 0 | 0 | 110.4 | G39 | G39-P41 VanDerWaalsContact O-CD 3.27Å; G39-P41 WeakPolarHBondContact O-CD 3Å |
| 42 | C | 55.1 | Low | 58.6 | Low | 3 Ų | 3 | 92.4 Ų | 92.4 | 2% | 0.02 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 142.1 | 168.6 | -75.2 | 0 | 0 | 0 | 0 | 110.2 | C6 I30 Q33 I44 | C6-C42 WeakPolarHBondContact CA-SG 3.47Å; C6-C42 HydrophobicContact CB-CB 3.97Å; C6-C42 WeakPolarHBondContact CB-SG 3.45Å; C6-C42 WeakPolarHBondContact SG-CA 3.4Å; C6-C42 WeakPolarHBondContact SG-CB 3.17Å; C6-C42 CovalentContact SG-SG 2.03Å; C6-C42 PolarHBondContact SG-SG 2.73Å; I30-C42 HydrophobicContact CD1-CB 3.72Å; I30-C42 HydrophobicContact CG1-CB 4.32Å; Q33-C42 HydrophobicContact CG-CB 3.9Å; Q33-C42 WeakPolarHBondContact CG-SG 3.01Å; C42-I44 PolarHBondContact O-N 2.04Å |
| 43 | P | 60.7 | Low | 58.5 | Low | 92 Ų | 92 | 94.6 Ų | 94.6 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 125.3 | 175.4 | 22.8 | -30.9 | 0 | 0 | 0 | 109.2 | G45 | P43-G45 VanDerWaalsContact C-N 3.28Š|
| 44 | I | 57.1 | Low | 58.3 | Low | 145 Ų | 145 | 89.7 Ų | 89.7 | 74% | 0.744 | 48% | 0.475 | S | S | * | . | trans | -84.6 | -10.2 | -178.3 | -21.9 | 175.5 | 0 | 0 | 0 | 111.1 | C42 | C42-I44 PolarHBondContact O-N 2.04Š| ||
| 45 | G | 57 | Low | 58.3 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -82.5 | 152.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | P43 P47 | P43-G45 VanDerWaalsContact C-N 3.28Å; G45-P47 WeakPolarHBondContact O-CD 3.28Å |
| 46 | I | 59.9 | Low | 58.2 | Low | 10 Ų | 10 | 88.1 Ų | 88.1 | 5% | 0.051 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 125.3 | 172.1 | -57.8 | 168.7 | 0 | 0 | 0 | 108.5 | H15 Y24 Y26 R48 W50 K51 | H15-I46 HydrophobicContact CB-CD1 3.99Å; H15-I46 WeakPolarHBondContact CD2-CD1 3.32Å; Y24-I46 HydrophobicContact CD2-CD1 3.95Å; Y24-I46 HydrophobicContact CG-CD1 4.01Å; Y26-I46 WeakPolarHBondContact O-CD1 3.25Å; Y26-I46 VanDerWaalsContact O-CG1 3.28Å; Y26-I46 WeakPolarHBondContact O-CG1 3.34Å; I46-R48 PolarHBondContact O-N 3.49Å; I46-W50 HydrophobicContact CG2-CB 3.54Å; I46-K51 HydrophobicContact CB-CG 4.31Å; I46-K51 HydrophobicContact CG2-CG 4.05Å |
| 47 | P | 65.3 | Low | 58.2 | Low | 37 Ų | 37 | 87.5 Ų | 87.5 | 24% | 0.24 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 139.1 | 171.3 | -28 | 33.8 | 0 | 0 | 0 | 110.5 | V28 G45 E49 W50 K51 | V28-P47 HydrophobicContact CG2-CG 4.26Å; G45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-E49 HydrophobicContact CB-CG 4.03Å; P47-E49 PolarHBondContact O-N 3.27Å; P47-E49 VanDerWaalsContact O-N 3.09Å; P47-W50 HydrophobicContact CB-CB 4.5Å; P47-W50 HydrophobicContact CB-CD2 4.37Å; P47-W50 HydrophobicContact CB-CG 4.18Å; P47-W50 HydrophobicContact CG-CD2 4.02Å; P47-W50 HydrophobicContact CG-CE3 4.22Å; P47-W50 HydrophobicContact CG-CG 4.33Å; P47-W50 WeakPolarHBondContact O-CA 3.39Å; P47-W50 WeakPolarHBondContact O-CB 3.35Å; P47-W50 PolarHBondContact O-N 2.99Å; P47-K51 PolarHBondContact O-N 2.97Å |
| 48 | R | 68.7 | Low | 58.1 | Low | 224 Ų | 224 | 84.5 Ų | 84.5 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -55.8 | -33.1 | -176.8 | -73 | -174.9 | 178.3 | -175.2 | -0.6 | 112.1 | I46 W50 K51 | I46-R48 PolarHBondContact O-N 3.49Å; R48-W50 PolarHBondContact O-N 3.4Å; R48-K51 WeakPolarHBondContact O-CB 3.24Å; R48-K51 PolarHBondContact O-N 3.35Å |
| 49 | E | 69.6 | Low | 57.4 | Low | 159 Ų | 159 | 81.6 Ų | 81.6 | 74% | 0.743 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -65.9 | -19.1 | 174.1 | 60.8 | -112.3 | -146.7 | 0 | 0 | 114.9 | P47 | P47-E49 HydrophobicContact CB-CG 4.03Å; P47-E49 PolarHBondContact O-N 3.27Å; P47-E49 VanDerWaalsContact O-N 3.09Å |
| 50 | W | 64.2 | Low | 56.4 | Low | 63 Ų | 63 | 80.1 Ų | 80.1 | 24% | 0.239 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -98.4 | -12.3 | -179.9 | -64.3 | 9.8 | 0 | 0 | 0 | 112.6 | Y8 K10 V28 I46 P47 R48 R52 | Y8-W50 HydrophobicContact CD2-CH2 4.48Å; K10-W50 HydrophobicContact CB-CH2 4.41Å; K10-W50 HydrophobicContact CB-CZ3 4.25Å; V28-W50 HydrophobicContact CB-CZ3 4.38Å; V28-W50 HydrophobicContact CG2-CE3 3.82Å; V28-W50 HydrophobicContact CG2-CZ3 3.63Å; I46-W50 HydrophobicContact CG2-CB 3.54Å; P47-W50 HydrophobicContact CB-CB 4.5Å; P47-W50 HydrophobicContact CB-CD2 4.37Å; P47-W50 HydrophobicContact CB-CG 4.18Å; P47-W50 HydrophobicContact CG-CD2 4.02Å; P47-W50 HydrophobicContact CG-CE3 4.22Å; P47-W50 HydrophobicContact CG-CG 4.33Å; P47-W50 WeakPolarHBondContact O-CA 3.39Å; P47-W50 WeakPolarHBondContact O-CB 3.35Å; P47-W50 PolarHBondContact O-N 2.99Å; R48-W50 PolarHBondContact O-N 3.4Å; W50-R52 PolarHBondContact O-N 2.86Å |
| 51 | K | 63 | Low | 55.5 | Low | 55 Ų | 55 | 78.6 Ų | 78.6 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | trans | -67 | 75.9 | 169 | -70.5 | -171.2 | 167.7 | -154.4 | 0 | 110 | D17 D20 Y24 I46 P47 R48 | D17-K51 WeakPolarHBondContact OD2-CE 3.29Å; D17-K51 IonicContact OD2-NZ 3.13Å; D17-K51 PolarHBondContact OD2-NZ 2.94Å; D20-K51 IonicContact OD2-NZ 3.91Å; D20-K51 PolarHBondContact OD2-NZ 2.9Å; Y24-K51 HydrophobicContact CD1-CB 3.91Å; Y24-K51 HydrophobicContact CD1-CG 4.22Å; Y24-K51 HydrophobicContact CD2-CG 4.39Å; Y24-K51 HydrophobicContact CE1-CB 3.49Å; Y24-K51 VanDerWaalsContact CE1-CB 3.49Å; Y24-K51 HydrophobicContact CE1-CD 4.32Å; Y24-K51 HydrophobicContact CE1-CG 3.91Å; Y24-K51 HydrophobicContact CE2-CD 4.05Å; Y24-K51 HydrophobicContact CE2-CG 4.06Å; Y24-K51 HydrophobicContact CG-CG 4.45Å; I46-K51 HydrophobicContact CB-CG 4.31Å; I46-K51 HydrophobicContact CG2-CG 4.05Å; P47-K51 PolarHBondContact O-N 2.97Å; R48-K51 WeakPolarHBondContact O-CB 3.24Å; R48-K51 PolarHBondContact O-N 3.35Å | ||
| 52 | R | 59.7 | Low | 54.9 | Low | 179 Ų | 179 | 84 Ų | 84 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | trans | -97.9 | 120 | 168.3 | -167.4 | -179.3 | -69.1 | -169 | -2.1 | 107.6 | Y26 W50 S54 | Y26-R52 HydrophobicContact CE2-CB 4.39Å; W50-R52 PolarHBondContact O-N 2.86Å; R52-S54 PolarHBondContact O-N 3.27Å | ||
| 53 | D | 55.8 | Low | 54.2 | Low | 105 Ų | 105 | 90 Ų | 90 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | B | Isolated β-bridge | trans | -48.7 | 115.3 | 169.7 | -76.5 | -19.7 | 0 | 0 | 0 | 107.8 | ||
| 54 | S | 50.1 | Low | 53.5 | Low | 8 Ų | 8 | 87.9 Ų | 87.9 | 6% | 0.056 | 45% | 0.445 | C | S | . | . | trans | -110.1 | 103.5 | -178.7 | 163.3 | 0 | 0 | 0 | 0 | 109.3 | K25 R52 T56 C57 M59 | K25-S54 VanDerWaalsContact CB-CB 3.43Å; K25-S54 WeakPolarHBondContact CB-OG 3.21Å; R52-S54 PolarHBondContact O-N 3.27Å; S54-T56 PolarHBondContact O-N 2.61Å; S54-T56 VanDerWaalsContact O-N 3.1Å; S54-T56 PolarHBondContact OG-N 2.76Å; S54-T56 VanDerWaalsContact OG-N 3.07Å; S54-T56 PolarHBondContact OG-OG1 2.03Å; S54-C57 PolarHBondContact O-N 3.22Å; S54-C57 PolarHBondContact OG-N 3.27Å; S54-M59 WeakPolarHBondContact O-CE 3.32Å | ||
| 55 | L | 49.9 | Very low | 52.9 | Low | 124 Ų | 124 | 88.3 Ų | 88.3 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -32.2 | 160.9 | -77.6 | 136.7 | 0 | 0 | 0 | 111.6 | C57 M59 T61 | L55-C57 PolarHBondContact O-N 2.76Å; L55-M59 WeakPolarHBondContact O-CB 3.46Å; L55-T61 VanDerWaalsContact C-OG1 3.31Å; L55-T61 HydrophobicContact CB-CG2 4.08Å; L55-T61 HydrophobicContact CD2-CG2 4Å; L55-T61 VanDerWaalsContact O-CB 3.31Å; L55-T61 WeakPolarHBondContact O-CB 3.18Å; L55-T61 WeakPolarHBondContact O-CG2 3.21Å; L55-T61 PolarHBondContact O-OG1 2.87Å |
| 56 | T | 50.9 | Low | 52.1 | Low | 81 Ų | 81 | 96.9 Ų | 96.9 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.6 | -172.9 | 50.3 | 0 | 0 | 0 | 0 | 117 | K25 S54 C58 | K25-T56 WeakPolarHBondContact CD-OG1 3.01Å; K25-T56 WeakPolarHBondContact CE-OG1 3.45Å; K25-T56 PolarHBondContact NZ-OG1 3.47Å; S54-T56 PolarHBondContact O-N 2.61Å; S54-T56 VanDerWaalsContact O-N 3.1Å; S54-T56 PolarHBondContact OG-N 2.76Å; S54-T56 VanDerWaalsContact OG-N 3.07Å; S54-T56 PolarHBondContact OG-OG1 2.03Å; T56-C58 PolarHBondContact O-N 3.2Å |
| 57 | C | 51 | Low | 51.8 | Low | 4 Ų | 4 | 103.1 Ų | 103.1 | 3% | 0.027 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 82.5 | -175.3 | -98.7 | 0 | 0 | 0 | 0 | 112.5 | C14 K25 S54 L55 M59 | C14-C57 WeakPolarHBondContact CA-SG 3.06Å; C14-C57 HydrophobicContact CB-CB 3.72Å; C14-C57 WeakPolarHBondContact CB-SG 2.99Å; C14-C57 WeakPolarHBondContact SG-CA 3.42Å; C14-C57 WeakPolarHBondContact SG-CB 3.2Å; C14-C57 CovalentContact SG-SG 2.04Å; C14-C57 PolarHBondContact SG-SG 3.5Å; K25-C57 WeakPolarHBondContact CA-SG 3.28Å; S54-C57 PolarHBondContact O-N 3.22Å; S54-C57 PolarHBondContact OG-N 3.27Å; L55-C57 PolarHBondContact O-N 2.76Å; C57-M59 PolarHBondContact O-N 3.2Å |
| 58 | C | 51.4 | Low | 51.6 | Low | 53 Ų | 53 | 102.8 Ų | 102.8 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 22.6 | 40.9 | -170.4 | -142.7 | 0 | 0 | 0 | 0 | 115.2 | T56 A60 C70 | T56-C58 PolarHBondContact O-N 3.2Å; C58-A60 PolarHBondContact O-N 3.03Å; C58-C70 PolarHBondContact O-SG 3.25Å |
| 59 | M | 44.4 | Very low | 51.5 | Low | 80 Ų | 80 | 94.3 Ų | 94.3 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | S | Bend | -71.7 | 101.4 | 123.9 | -40.9 | -178.9 | -176.1 | 0 | 0 | 99.9 | S54 L55 C57 T61 | S54-M59 WeakPolarHBondContact O-CE 3.32Å; L55-M59 WeakPolarHBondContact O-CB 3.46Å; C57-M59 PolarHBondContact O-N 3.2Å; M59-T61 HydrophobicContact CB-CG2 3.89Å; M59-T61 WeakPolarHBondContact O-CB 3.38Å; M59-T61 WeakPolarHBondContact O-CG2 3.47Å; M59-T61 PolarHBondContact O-N 3.1Å; M59-T61 PolarHBondContact O-OG1 2.81Å | |
| 60 | A | 37.6 | Very low | 51.3 | Low | 37 Ų | 37 | 88.6 Ų | 88.6 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -2.9 | 71.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | C58 L64 | C58-A60 PolarHBondContact O-N 3.03Å; A60-L64 HydrophobicContact CB-CB 4.44Å; A60-L64 HydrophobicContact CB-CD1 3.03Å; A60-L64 HydrophobicContact CB-CD2 3.88Å; A60-L64 HydrophobicContact CB-CG 3.21Å |
| 61 | T | 39.5 | Very low | 51.9 | Low | 65 Ų | 65 | 88.1 Ų | 88.1 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | trans | -134.7 | 1 | -174.7 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | L55 M59 | L55-T61 VanDerWaalsContact C-OG1 3.31Å; L55-T61 HydrophobicContact CB-CG2 4.08Å; L55-T61 HydrophobicContact CD2-CG2 4Å; L55-T61 VanDerWaalsContact O-CB 3.31Å; L55-T61 WeakPolarHBondContact O-CB 3.18Å; L55-T61 WeakPolarHBondContact O-CG2 3.21Å; L55-T61 PolarHBondContact O-OG1 2.87Å; M59-T61 HydrophobicContact CB-CG2 3.89Å; M59-T61 WeakPolarHBondContact O-CB 3.38Å; M59-T61 WeakPolarHBondContact O-CG2 3.47Å; M59-T61 PolarHBondContact O-N 3.1Å; M59-T61 PolarHBondContact O-OG1 2.81Å | ||
| 62 | K | 41.3 | Very low | 52.9 | Low | 199 Ų | 199 | 85.6 Ų | 85.6 | 87% | 0.865 | 44% | 0.438 | S | S | * | . | S | Bend | -79.8 | 118.9 | 125.9 | -100.6 | -176.5 | 176.5 | 177.3 | 0 | 104.5 | L64 | K62-L64 PolarHBondContact O-N 2.04Š| |
| 63 | V | 41 | Very low | 54.1 | Low | 129 Ų | 129 | 78.5 Ų | 78.5 | 78% | 0.782 | 41% | 0.412 | S | S | * | . | trans | -27.6 | 105.5 | 174.4 | 179 | 0 | 0 | 0 | 0 | 107.4 | K65 | V63-K65 VanDerWaalsContact C-N 3.3Å; V63-K65 PolarHBondContact O-N 2.81Å | ||
| 64 | L | 45.6 | Very low | 55.5 | Low | 47 Ų | 47 | 73.9 Ų | 73.9 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | trans | -46.7 | 114.2 | 158.7 | -75 | 164 | 0 | 0 | 0 | 102.2 | A60 K62 Y66 D68 F73 | A60-L64 HydrophobicContact CB-CB 4.44Å; A60-L64 HydrophobicContact CB-CD1 3.03Å; A60-L64 HydrophobicContact CB-CD2 3.88Å; A60-L64 HydrophobicContact CB-CG 3.21Å; K62-L64 PolarHBondContact O-N 2.04Å; L64-Y66 PolarHBondContact O-N 3.33Å; L64-Y66 VanDerWaalsContact O-N 3.09Å; L64-D68 HydrophobicContact CB-CB 3.86Å; L64-D68 WeakPolarHBondContact CD1-O 3.18Å; L64-D68 HydrophobicContact CD2-CB 3.39Å; L64-D68 HydrophobicContact CG-CB 4.12Å; L64-D68 WeakPolarHBondContact CG-O 3.21Å; L64-F73 HydrophobicContact CD2-CE2 3.71Å; L64-F73 HydrophobicContact CD2-CZ 4.28Å | ||
| 65 | K | 44.7 | Very low | 56.9 | Low | 153 Ų | 153 | 75.7 Ų | 75.7 | 67% | 0.665 | 40% | 0.401 | S | S | * | . | trans | -50.3 | 131.9 | 173.6 | -78 | -174.6 | 175.9 | -177.1 | 0 | 104.5 | V63 N67 D68 | V63-K65 VanDerWaalsContact C-N 3.3Å; V63-K65 PolarHBondContact O-N 2.81Å; K65-N67 PolarHBondContact O-N 2.79Å; K65-D68 PolarHBondContact O-N 3Å | ||
| 66 | Y | 40.2 | Very low | 57.9 | Low | 222 Ų | 222 | 74.4 Ų | 74.4 | 87% | 0.871 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -32.7 | 109.5 | -177.3 | -165.8 | -92.9 | 0 | 0 | 0 | 109.7 | L64 | L64-Y66 PolarHBondContact O-N 3.33Å; L64-Y66 VanDerWaalsContact O-N 3.09Å |
| 67 | N | 54.4 | Low | 59.1 | Low | 142 Ų | 142 | 72.1 Ų | 72.1 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | -5.6 | -171.7 | -80.3 | -3.1 | 0 | 0 | 0 | 122.3 | K65 | K65-N67 PolarHBondContact O-N 2.79Š|
| 68 | D | 59.6 | Low | 60.3 | Low | 30 Ų | 30 | 78.1 Ų | 78.1 | 16% | 0.16 | 42% | 0.417 | C | S | . | . | trans | -77.5 | 144.5 | 174.2 | -61.9 | -26.1 | 0 | 0 | 0 | 110.9 | L64 K65 K83 | L64-D68 HydrophobicContact CB-CB 3.86Å; L64-D68 WeakPolarHBondContact CD1-O 3.18Å; L64-D68 HydrophobicContact CD2-CB 3.39Å; L64-D68 HydrophobicContact CG-CB 4.12Å; L64-D68 WeakPolarHBondContact CG-O 3.21Å; K65-D68 PolarHBondContact O-N 3Å; D68-K83 WeakPolarHBondContact OD1-CE 3.43Å; D68-K83 IonicContact OD1-NZ 3.82Å; D68-K83 PolarHBondContact OD1-NZ 2.89Å; D68-K83 IonicContact OD2-NZ 2.81Å; D68-K83 PolarHBondContact OD2-NZ 3.34Å | ||
| 69 | S | 66.6 | Low | 61.6 | Low | 46 Ų | 46 | 77.1 Ų | 77.1 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | trans | -109.6 | 151.7 | 171.1 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | T71 D72 F73 | S69-T71 PolarHBondContact O-N 2.77Å; S69-T71 PolarHBondContact OG-N 3.01Å; S69-T71 PolarHBondContact OG-OG1 2.99Å; S69-D72 PolarHBondContact N-OD2 2.66Å; S69-D72 VanDerWaalsContact O-CB 3.23Å; S69-D72 WeakPolarHBondContact O-CB 3.47Å; S69-D72 PolarHBondContact O-N 2.96Å; S69-F73 WeakPolarHBondContact O-CD2 3.08Å | ||
| 70 | C | 65.5 | Low | 63.5 | Low | 39 Ų | 39 | 73.6 Ų | 73.6 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -57.7 | -33.1 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | C58 D72 F73 H99 | C58-C70 PolarHBondContact O-SG 3.25Å; C70-D72 PolarHBondContact O-N 2.78Å; C70-F73 PolarHBondContact O-N 2.99Å; C70-H99 PolarHBondContact O-ND1 3.18Å; C70-H99 VanDerWaalsContact SG-CE1 3.59Å |
| 71 | T | 78.3 | Confident | 66 | Low | 52 Ų | 52 | 71.9 Ų | 71.9 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -72.3 | -3.6 | 175.6 | 58.1 | 0 | 0 | 0 | 0 | 114 | S69 R94 G98 L100 | S69-T71 PolarHBondContact O-N 2.77Å; S69-T71 PolarHBondContact OG-N 3.01Å; S69-T71 PolarHBondContact OG-OG1 2.99Å; T71-R94 PolarHBondContact O-NH1 2.89Å; T71-G98 WeakPolarHBondContact CB-O 3.46Å; T71-L100 WeakPolarHBondContact O-CG 3.31Å; T71-L100 PolarHBondContact O-N 3.25Å; T71-L100 VanDerWaalsContact O-N 3.14Å |
| 72 | D | 83.3 | Confident | 68.3 | Low | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -85.6 | -10.3 | 172.6 | -64.7 | -25.6 | 0 | 0 | 0 | 112.7 | S69 C70 N80 L81 R82 | S69-D72 PolarHBondContact N-OD2 2.66Å; S69-D72 VanDerWaalsContact O-CB 3.23Å; S69-D72 WeakPolarHBondContact O-CB 3.47Å; S69-D72 PolarHBondContact O-N 2.96Å; C70-D72 PolarHBondContact O-N 2.78Å; D72-N80 CarbonylContact O-C 3.6Å; D72-L81 PolarHBondContact O-N 3.43Å; D72-R82 HydrophobicContact CB-CB 3.74Å; D72-R82 PolarHBondContact O-N 3.49Å; D72-R82 VanDerWaalsContact OD1-CD 3.31Å; D72-R82 WeakPolarHBondContact OD1-CD 3.35Å; D72-R82 IonicContact OD1-NH1 2.96Å; D72-R82 PolarHBondContact OD1-NH1 2.05Å; D72-R82 VanDerWaalsContact OD2-CD 3.29Å; D72-R82 WeakPolarHBondContact OD2-CD 3.01Å; D72-R82 IonicContact OD2-NH1 2.66Å; D72-R82 PolarHBondContact OD2-NH1 3.39Å |
| 73 | F | 83.9 | Confident | 70.6 | Confident | 30 Ų | 30 | 73 Ų | 73 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -97.7 | 152.7 | 179.5 | -66.2 | -104.2 | 0 | 0 | 0 | 111.3 | L64 S69 C70 I79 N80 H99 L100 | L64-F73 HydrophobicContact CD2-CE2 3.71Å; L64-F73 HydrophobicContact CD2-CZ 4.28Å; S69-F73 WeakPolarHBondContact O-CD2 3.08Å; C70-F73 PolarHBondContact O-N 2.99Å; F73-I79 CarbonylContact C-O 3.59Å; F73-I79 WeakPolarHBondContact CA-O 3.39Å; F73-N80 HydrophobicContact CD1-CB 3.88Å; F73-N80 HydrophobicContact CE1-CB 3.61Å; F73-N80 HydrophobicContact CE2-CB 4.34Å; F73-N80 VanDerWaalsContact CE2-ND2 3.33Å; F73-N80 WeakPolarHBondContact CE2-ND2 3.3Å; F73-N80 HydrophobicContact CG-CB 4.37Å; F73-N80 HydrophobicContact CZ-CB 3.85Å; F73-N80 WeakPolarHBondContact CZ-ND2 3.4Å; F73-H99 WeakPolarHBondContact O-CB 3.41Å; F73-H99 PolarHBondContact O-ND1 3.32Å; F73-L100 PolarHBondContact O-N 2.74Å |
| 74 | A | 85.6 | Confident | 72.9 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 140.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N76 T77 I79 L81 L100 I111 | A74-N76 PolarHBondContact O-N 3.18Å; A74-T77 HydrophobicContact CB-CG2 4.06Å; A74-T77 WeakPolarHBondContact CB-OG1 3.34Å; A74-T77 PolarHBondContact O-N 2.89Å; A74-T77 PolarHBondContact O-OG1 2.89Å; A74-I79 PolarHBondContact N-O 3.05Å; A74-L81 HydrophobicContact CB-CD1 3.72Å; A74-L81 HydrophobicContact CB-CG 4.08Å; A74-L100 VanDerWaalsContact CA-O 3.27Å; A74-L100 WeakPolarHBondContact CA-O 3.39Å; A74-I111 HydrophobicContact CB-CG2 3.58Å |
| 75 | S | 79.6 | Confident | 75.1 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 126.9 | -173.7 | -174 | 0 | 0 | 0 | 0 | 112.1 | T77 D95 | S75-T77 VanDerWaalsContact C-N 3.28Å; S75-T77 WeakPolarHBondContact O-CG2 3.02Å; S75-T77 PolarHBondContact O-N 2.87Å; S75-D95 VanDerWaalsContact CB-OD2 3.25Å; S75-D95 WeakPolarHBondContact CB-OD2 2.99Å |
| 76 | N | 71.8 | Confident | 77.6 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.6 | -177 | -160.4 | 21.7 | 0 | 0 | 0 | 114.8 | A74 | A74-N76 PolarHBondContact O-N 3.18Š|
| 77 | T | 74.7 | Confident | 80.3 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -132.5 | 168.1 | 176.8 | 79.9 | 0 | 0 | 0 | 0 | 111.9 | A74 S75 I79 I111 | A74-T77 HydrophobicContact CB-CG2 4.06Å; A74-T77 WeakPolarHBondContact CB-OG1 3.34Å; A74-T77 PolarHBondContact O-N 2.89Å; A74-T77 PolarHBondContact O-OG1 2.89Å; S75-T77 VanDerWaalsContact C-N 3.28Å; S75-T77 WeakPolarHBondContact O-CG2 3.02Å; S75-T77 PolarHBondContact O-N 2.87Å; T77-I79 VanDerWaalsContact C-N 3.35Å; T77-I79 PolarHBondContact OG1-N 2.82Å; T77-I79 VanDerWaalsContact OG1-N 3.12Å; T77-I111 HydrophobicContact CG2-CD1 3.79Å; T77-I111 HydrophobicContact CG2-CG2 4.49Å |
| 78 | T | 76.6 | Confident | 82.1 | Confident | 131 Ų | 131 | 53.9 Ų | 53.9 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -94.5 | 10.6 | 168.8 | 57.3 | 0 | 0 | 0 | 0 | 113 | N80 | T78-N80 PolarHBondContact O-N 2.8Š|
| 79 | I | 80.2 | Confident | 83.8 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | trans | -87 | 109 | -175.7 | -62.2 | 171.7 | 0 | 0 | 0 | 108.5 | F73 A74 T77 L81 I111 Q112 | F73-I79 CarbonylContact C-O 3.59Å; F73-I79 WeakPolarHBondContact CA-O 3.39Å; A74-I79 PolarHBondContact N-O 3.05Å; T77-I79 VanDerWaalsContact C-N 3.35Å; T77-I79 PolarHBondContact OG1-N 2.82Å; T77-I79 VanDerWaalsContact OG1-N 3.12Å; I79-L81 HydrophobicContact CG2-CD2 3.75Å; I79-L81 HydrophobicContact CG2-CG 4.19Å; I79-L81 PolarHBondContact O-N 3.29Å; I79-I111 HydrophobicContact CD1-CB 4.09Å; I79-I111 HydrophobicContact CD1-CD1 4.09Å; I79-I111 HydrophobicContact CD1-CG2 3.76Å; I79-Q112 HydrophobicContact CG2-CG 3.85Å | ||
| 80 | N | 84.3 | Confident | 85.1 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -81.6 | 93.6 | 173.8 | -172.7 | -55.9 | 0 | 0 | 0 | 109.2 | D72 F73 T78 R82 K83 Q84 | D72-N80 CarbonylContact O-C 3.6Å; F73-N80 HydrophobicContact CD1-CB 3.88Å; F73-N80 HydrophobicContact CE1-CB 3.61Å; F73-N80 HydrophobicContact CE2-CB 4.34Å; F73-N80 VanDerWaalsContact CE2-ND2 3.33Å; F73-N80 WeakPolarHBondContact CE2-ND2 3.3Å; F73-N80 HydrophobicContact CG-CB 4.37Å; F73-N80 HydrophobicContact CZ-CB 3.85Å; F73-N80 WeakPolarHBondContact CZ-ND2 3.4Å; T78-N80 PolarHBondContact O-N 2.8Å; N80-R82 PolarHBondContact O-N 3.44Å; N80-R82 WeakPolarHBondContact OD1-CB 3.33Å; N80-R82 PolarHBondContact OD1-N 3.32Å; N80-K83 HydrophobicContact CB-CB 4.39Å; N80-K83 PolarHBondContact O-N 2.75Å; N80-K83 VanDerWaalsContact O-N 3.15Å; N80-K83 PolarHBondContact OD1-N 3.29Å; N80-Q84 WeakPolarHBondContact O-CB 3.25Å; N80-Q84 WeakPolarHBondContact O-CG 3.42Å; N80-Q84 PolarHBondContact O-N 2.9Å |
| 81 | L | 89.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -22.2 | -178.1 | -71.7 | -179.5 | 0 | 0 | 0 | 113 | D72 A74 I79 K83 G85 I92 L100 Q112 | D72-L81 PolarHBondContact O-N 3.43Å; A74-L81 HydrophobicContact CB-CD1 3.72Å; A74-L81 HydrophobicContact CB-CG 4.08Å; I79-L81 HydrophobicContact CG2-CD2 3.75Å; I79-L81 HydrophobicContact CG2-CG 4.19Å; I79-L81 PolarHBondContact O-N 3.29Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 3.15Å; L81-G85 WeakPolarHBondContact CD2-O 2.98Å; L81-G85 VanDerWaalsContact O-CA 3.24Å; L81-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 2.03Å; L81-I92 HydrophobicContact CB-CD1 3.91Å; L81-L100 HydrophobicContact CB-CB 3.8Å; L81-L100 HydrophobicContact CB-CD1 3.99Å; L81-L100 HydrophobicContact CD1-CB 3.88Å; L81-L100 WeakPolarHBondContact CD1-O 3.28Å; L81-L100 HydrophobicContact CG-CB 4.43Å; L81-Q112 HydrophobicContact CD2-CG 3.77Å |
| 82 | R | 88.2 | Confident | 87.3 | Confident | 167 Ų | 167 | 61.3 Ų | 61.3 | 63% | 0.63 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.6 | -34.4 | 173 | -177.3 | 173.9 | -178.3 | 161.5 | -0.1 | 112.1 | D72 N80 L100 | D72-R82 HydrophobicContact CB-CB 3.74Å; D72-R82 PolarHBondContact O-N 3.49Å; D72-R82 VanDerWaalsContact OD1-CD 3.31Å; D72-R82 WeakPolarHBondContact OD1-CD 3.35Å; D72-R82 IonicContact OD1-NH1 2.96Å; D72-R82 PolarHBondContact OD1-NH1 2.05Å; D72-R82 VanDerWaalsContact OD2-CD 3.29Å; D72-R82 WeakPolarHBondContact OD2-CD 3.01Å; D72-R82 IonicContact OD2-NH1 2.66Å; D72-R82 PolarHBondContact OD2-NH1 3.39Å; N80-R82 PolarHBondContact O-N 3.44Å; N80-R82 WeakPolarHBondContact OD1-CB 3.33Å; N80-R82 PolarHBondContact OD1-N 3.32Å; R82-L100 HydrophobicContact CB-CD1 3.86Å |
| 83 | K | 87.9 | Confident | 87.8 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -89.9 | -44.4 | 178.7 | -73.8 | 179.6 | 173.4 | 168.2 | 0 | 112.9 | D68 N80 L81 | D68-K83 WeakPolarHBondContact OD1-CE 3.43Å; D68-K83 IonicContact OD1-NZ 3.82Å; D68-K83 PolarHBondContact OD1-NZ 2.89Å; D68-K83 IonicContact OD2-NZ 2.81Å; D68-K83 PolarHBondContact OD2-NZ 3.34Å; N80-K83 HydrophobicContact CB-CB 4.39Å; N80-K83 PolarHBondContact O-N 2.75Å; N80-K83 VanDerWaalsContact O-N 3.15Å; N80-K83 PolarHBondContact OD1-N 3.29Å; L81-K83 VanDerWaalsContact C-N 3.28Å; L81-K83 PolarHBondContact O-N 3.15Å |
| 84 | Q | 90.1 | Very high | 88.1 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -88.3 | -25.8 | -172.3 | -60.1 | -179.5 | 25.1 | 0 | 0 | 112.5 | N80 Q112 | N80-Q84 WeakPolarHBondContact O-CB 3.25Å; N80-Q84 WeakPolarHBondContact O-CG 3.42Å; N80-Q84 PolarHBondContact O-N 2.9Å; Q84-Q112 VanDerWaalsContact CB-NE2 3.35Å |
| 85 | G | 92.9 | Very high | 88.1 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | trans | 68.8 | -168.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L81 Q112 | L81-G85 WeakPolarHBondContact CD2-O 2.98Å; L81-G85 VanDerWaalsContact O-CA 3.24Å; L81-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 2.03Å; G85-Q112 PolarHBondContact O-NE2 3.33Å; G85-Q112 VanDerWaalsContact O-NE2 3.13Å | ||
| 86 | C | 96.3 | Very high | 88.3 | Confident | 27 Ų | 27 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | trans | -109.4 | 143.7 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | G90 I92 C102 | C86-G90 WeakPolarHBondContact CB-O 3.4Å; C86-I92 WeakPolarHBondContact SG-CD1 3.23Å; C86-C102 VanDerWaalsContact CA-SG 3.51Å; C86-C102 HydrophobicContact CB-CB 3.82Å; C86-C102 WeakPolarHBondContact CB-SG 3.2Å; C86-C102 WeakPolarHBondContact SG-CA 3.46Å; C86-C102 WeakPolarHBondContact SG-CB 3.3Å; C86-C102 CovalentContact SG-SG 2.02Å; C86-C102 PolarHBondContact SG-SG 3.03Å | ||
| 87 | N | 96.1 | Very high | 88.6 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -82.7 | 171.8 | 174.1 | -61.6 | -35.4 | 0 | 0 | 0 | 111 | N89 G90 Q112 E114 | N87-N89 VanDerWaalsContact C-N 3.27Å; N87-N89 PolarHBondContact O-N 3.46Å; N87-N89 VanDerWaalsContact O-N 3.08Å; N87-G90 PolarHBondContact O-N 2.04Å; N87-Q112 WeakPolarHBondContact CB-O 3.26Å; N87-Q112 PolarHBondContact N-O 3.03Å; N87-E114 WeakPolarHBondContact ND2-CB 3.25Å |
| 88 | N | 94 | Very high | 88.7 | Confident | 68 Ų | 68 | 74.9 Ų | 74.9 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39 | 166.4 | -62.8 | -42.2 | 0 | 0 | 0 | 115.4 | G90 P105 Y108 C113 | N88-G90 PolarHBondContact O-N 2.87Å; N88-P105 WeakPolarHBondContact O-CG 3.19Å; N88-Y108 HydrophobicContact CB-CD1 3.64Å; N88-Y108 HydrophobicContact CB-CD2 3.59Å; N88-Y108 HydrophobicContact CB-CE1 3.66Å; N88-Y108 HydrophobicContact CB-CE2 3.62Å; N88-Y108 HydrophobicContact CB-CG 3.59Å; N88-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N88-Y108 VanDerWaalsContact ND2-CE1 3.3Å; N88-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; N88-C113 PolarHBondContact ND2-O 3.15Å |
| 89 | N | 93.5 | Very high | 88.9 | Confident | 142 Ų | 142 | 69.7 Ų | 69.7 | 76% | 0.759 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 21.9 | -178.3 | -150.4 | 54.2 | 0 | 0 | 0 | 114.2 | N87 | N87-N89 VanDerWaalsContact C-N 3.27Å; N87-N89 PolarHBondContact O-N 3.46Å; N87-N89 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 94.3 | Very high | 89.3 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | -62.5 | 146.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C86 N87 N88 V103 | C86-G90 WeakPolarHBondContact CB-O 3.4Å; N87-G90 PolarHBondContact O-N 2.04Å; N88-G90 PolarHBondContact O-N 2.87Å; G90-V103 WeakPolarHBondContact CA-O 3.49Å | ||
| 91 | T | 95.6 | Very high | 89.7 | Confident | 85 Ų | 85 | 73 Ų | 73 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.2 | 179.8 | 57 | 0 | 0 | 0 | 0 | 111.1 | C102 V103 | T91-C102 CarbonylContact O-C 3.53Å; T91-C102 WeakPolarHBondContact O-CA 3.47Å; T91-V103 PolarHBondContact N-O 3.12Å; T91-V103 PolarHBondContact O-N 3.11Å |
| 92 | I | 94.7 | Very high | 90 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 42% | 0.415 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.9 | 177.9 | -65.9 | -76.3 | 0 | 0 | 0 | 109.4 | L81 C86 L100 | L81-I92 HydrophobicContact CB-CD1 3.91Å; C86-I92 WeakPolarHBondContact SG-CD1 3.23Å; I92-L100 HydrophobicContact CG2-CD1 4.11Å; I92-L100 HydrophobicContact CG2-CD2 3.65Å; I92-L100 HydrophobicContact CG2-CG 4.29Å |
| 93 | A | 95.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 69.2 Ų | 69.2 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | -177.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L100 K101 V103 | A93-L100 CarbonylContact O-C 3.56Å; A93-L100 WeakPolarHBondContact O-CA 3.21Å; A93-K101 HydrophobicContact CB-CG 4.12Å; A93-K101 PolarHBondContact N-O 2.94Å; A93-K101 PolarHBondContact O-N 3.17Å; A93-V103 HydrophobicContact CB-CG2 3.56Å |
| 94 | R | 89.8 | Confident | 90.6 | Very high | 129 Ų | 129 | 65.3 Ų | 65.3 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146.8 | 168.9 | -68.9 | -175.3 | -174.7 | -73.8 | -4.5 | 111 | T71 G98 H99 L100 K101 | T71-R94 PolarHBondContact O-NH1 2.89Å; R94-G98 PolarHBondContact NH1-O 2.87Å; R94-H99 CarbonylContact C-O 3.56Å; R94-H99 WeakPolarHBondContact CA-O 3.24Å; R94-L100 HydrophobicContact CG-CD2 3.99Å; R94-K101 WeakPolarHBondContact O-CE 3.44Å |
| 95 | D | 85.6 | Confident | 90.6 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | trans | -81.2 | -176.7 | 168.2 | 74 | 4.3 | 0 | 0 | 0 | 111.7 | S75 Y97 G98 H99 K101 | S75-D95 VanDerWaalsContact CB-OD2 3.25Å; S75-D95 WeakPolarHBondContact CB-OD2 2.99Å; D95-Y97 PolarHBondContact O-N 3.48Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.4Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.18Å; D95-Y97 PolarHBondContact OD1-N 3.42Å; D95-G98 PolarHBondContact O-N 3.17Å; D95-G98 PolarHBondContact OD1-N 3.07Å; D95-H99 PolarHBondContact N-O 2.8Å; D95-H99 PolarHBondContact OD1-N 2.79Å; D95-K101 HydrophobicContact CB-CD 4.09Å | ||
| 96 | S | 84.2 | Confident | 90.3 | Very high | 109 Ų | 109 | 66.6 Ų | 66.6 | 76% | 0.762 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.1 | 178.6 | 50 | 0 | 0 | 0 | 0 | 114 | ||
| 97 | Y | 76.4 | Confident | 90 | Very high | 175 Ų | 175 | 70.8 Ų | 70.8 | 69% | 0.686 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -1.8 | 179.6 | -55.1 | -74.9 | 0 | 0 | 0 | 112.1 | D95 | D95-Y97 PolarHBondContact O-N 3.48Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.4Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.18Å; D95-Y97 PolarHBondContact OD1-N 3.42Å |
| 98 | G | 78.4 | Confident | 89.9 | Confident | 22 Ų | 22 | 70 Ų | 70 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 87 | -0.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T71 R94 D95 | T71-G98 WeakPolarHBondContact CB-O 3.46Å; R94-G98 PolarHBondContact NH1-O 2.87Å; D95-G98 PolarHBondContact O-N 3.17Å; D95-G98 PolarHBondContact OD1-N 3.07Å |
| 99 | H | 80 | Confident | 89.8 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 10% | 0.102 | 37% | 0.366 | C | S | . | . | trans | -68 | 148 | 173.5 | -72.9 | -77.2 | 0 | 0 | 0 | 110.6 | C70 F73 R94 D95 | C70-H99 PolarHBondContact O-ND1 3.18Å; C70-H99 VanDerWaalsContact SG-CE1 3.59Å; F73-H99 WeakPolarHBondContact O-CB 3.41Å; F73-H99 PolarHBondContact O-ND1 3.32Å; R94-H99 CarbonylContact C-O 3.56Å; R94-H99 WeakPolarHBondContact CA-O 3.24Å; D95-H99 PolarHBondContact N-O 2.8Å; D95-H99 PolarHBondContact OD1-N 2.79Å | ||
| 100 | L | 88.2 | Confident | 89.7 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 145 | 170.2 | -69.1 | -171.9 | 0 | 0 | 0 | 109.4 | T71 F73 A74 L81 R82 I92 A93 R94 | T71-L100 WeakPolarHBondContact O-CG 3.31Å; T71-L100 PolarHBondContact O-N 3.25Å; T71-L100 VanDerWaalsContact O-N 3.14Å; F73-L100 PolarHBondContact O-N 2.74Å; A74-L100 VanDerWaalsContact CA-O 3.27Å; A74-L100 WeakPolarHBondContact CA-O 3.39Å; L81-L100 HydrophobicContact CB-CB 3.8Å; L81-L100 HydrophobicContact CB-CD1 3.99Å; L81-L100 HydrophobicContact CD1-CB 3.88Å; L81-L100 WeakPolarHBondContact CD1-O 3.28Å; L81-L100 HydrophobicContact CG-CB 4.43Å; R82-L100 HydrophobicContact CB-CD1 3.86Å; I92-L100 HydrophobicContact CG2-CD1 4.11Å; I92-L100 HydrophobicContact CG2-CD2 3.65Å; I92-L100 HydrophobicContact CG2-CG 4.29Å; A93-L100 CarbonylContact O-C 3.56Å; A93-L100 WeakPolarHBondContact O-CA 3.21Å; R94-L100 HydrophobicContact CG-CD2 3.99Å |
| 101 | K | 93.5 | Very high | 89.6 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.8 | 168.8 | 67.9 | 174.1 | -176.7 | 179.6 | 0 | 109.3 | A93 R94 D95 | A93-K101 HydrophobicContact CB-CG 4.12Å; A93-K101 PolarHBondContact N-O 2.94Å; A93-K101 PolarHBondContact O-N 3.17Å; R94-K101 WeakPolarHBondContact O-CE 3.44Å; D95-K101 HydrophobicContact CB-CD 4.09Å |
| 102 | C | 95.9 | Very high | 89.5 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 136.1 | 167.9 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | C86 T91 I111 C113 | C86-C102 VanDerWaalsContact CA-SG 3.51Å; C86-C102 HydrophobicContact CB-CB 3.82Å; C86-C102 WeakPolarHBondContact CB-SG 3.2Å; C86-C102 WeakPolarHBondContact SG-CA 3.46Å; C86-C102 WeakPolarHBondContact SG-CB 3.3Å; C86-C102 CovalentContact SG-SG 2.02Å; C86-C102 PolarHBondContact SG-SG 3.03Å; T91-C102 CarbonylContact O-C 3.53Å; T91-C102 WeakPolarHBondContact O-CA 3.47Å; C102-I111 WeakPolarHBondContact CB-O 3.26Å; C102-I111 PolarHBondContact SG-O 3.4Å; C102-C113 VanDerWaalsContact CB-SG 3.51Å |
| 103 | V | 95 | Very high | 89.5 | Confident | 69 Ų | 69 | 61 Ų | 61 | 42% | 0.418 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 105.8 | 166.2 | -179.6 | 0 | 0 | 0 | 0 | 106.5 | G90 T91 A93 | G90-V103 WeakPolarHBondContact CA-O 3.49Å; T91-V103 PolarHBondContact N-O 3.12Å; T91-V103 PolarHBondContact O-N 3.11Å; A93-V103 HydrophobicContact CB-CG2 3.56Å |
| 104 | C | 93.2 | Very high | 89.5 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | trans | -83.1 | 143.8 | -174.4 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | Y108 C113 | C104-Y108 WeakPolarHBondContact CB-O 3.09Å; C104-C113 WeakPolarHBondContact CA-SG 3.25Å; C104-C113 HydrophobicContact CB-CB 3.7Å; C104-C113 WeakPolarHBondContact CB-SG 3.04Å; C104-C113 WeakPolarHBondContact SG-CA 3.46Å; C104-C113 WeakPolarHBondContact SG-CB 3.03Å; C104-C113 CovalentContact SG-SG 2.03Å; C104-C113 PolarHBondContact SG-SG 3.32Å | ||
| 105 | P | 90.5 | Very high | 89.6 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 31% | 0.312 | 33% | 0.326 | S | S | . | . | trans | -60.5 | 156.5 | 164.1 | -18 | 32.2 | 0 | 0 | 0 | 110.4 | N88 R107 Y108 | N88-P105 WeakPolarHBondContact O-CG 3.19Å; P105-R107 PolarHBondContact O-N 3.02Å; P105-Y108 HydrophobicContact CB-CD2 4.26Å; P105-Y108 HydrophobicContact CG-CD2 4.3Å; P105-Y108 PolarHBondContact O-N 3.45Å | ||
| 106 | D | 87 | Confident | 89.9 | Confident | 108 Ų | 108 | 62 Ų | 62 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -28.9 | -171.4 | -68.6 | -42.3 | 0 | 0 | 0 | 115.1 | P130 | D106-P130 WeakPolarHBondContact O-CB 3.19Š|
| 107 | R | 89.5 | Confident | 90.3 | Very high | 116 Ų | 116 | 57.4 Ų | 57.4 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.8 | -180 | -174.1 | 169.3 | 173.8 | -172.4 | -1.6 | 114.3 | P105 D116 V117 P130 | P105-R107 PolarHBondContact O-N 3.02Å; R107-D116 WeakPolarHBondContact CG-OD1 2.97Å; R107-D116 IonicContact CZ-OD1 2.62Å; R107-D116 IonicContact CZ-OD2 2.65Å; R107-D116 VanDerWaalsContact NE-CG 3.33Å; R107-D116 IonicContact NE-OD1 3.33Å; R107-D116 PolarHBondContact NE-OD1 2.93Å; R107-D116 IonicContact NE-OD2 2.75Å; R107-D116 PolarHBondContact NE-OD2 2.75Å; R107-D116 IonicContact NH2-OD1 3.39Å; R107-D116 IonicContact NH2-OD2 3.88Å; R107-D116 PolarHBondContact NH2-OD2 2.9Å; R107-V117 VanDerWaalsContact O-CB 3.31Å; R107-V117 WeakPolarHBondContact O-CB 3.49Å; R107-V117 VanDerWaalsContact O-CG2 3.28Å; R107-V117 WeakPolarHBondContact O-CG2 3.46Å; R107-V117 PolarHBondContact O-N 2.87Å; R107-P130 HydrophobicContact CB-CB 4.23Å; R107-P130 HydrophobicContact CB-CG 3.86Å; R107-P130 HydrophobicContact CG-CG 4.24Å |
| 108 | Y | 92.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.8 | -170.9 | -58.9 | -81.4 | 0 | 0 | 0 | 112.6 | N88 C104 P105 E115 D116 | N88-Y108 HydrophobicContact CB-CD1 3.64Å; N88-Y108 HydrophobicContact CB-CD2 3.59Å; N88-Y108 HydrophobicContact CB-CE1 3.66Å; N88-Y108 HydrophobicContact CB-CE2 3.62Å; N88-Y108 HydrophobicContact CB-CG 3.59Å; N88-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N88-Y108 VanDerWaalsContact ND2-CE1 3.3Å; N88-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; C104-Y108 WeakPolarHBondContact CB-O 3.09Å; P105-Y108 HydrophobicContact CB-CD2 4.26Å; P105-Y108 HydrophobicContact CG-CD2 4.3Å; P105-Y108 PolarHBondContact O-N 3.45Å; Y108-E115 CarbonylContact C-O 3.27Å; Y108-E115 WeakPolarHBondContact CA-O 3.41Å; Y108-D116 HydrophobicContact CD1-CB 4.04Å; Y108-D116 HydrophobicContact CE1-CB 3.84Å |
| 109 | I | 91.8 | Very high | 91.5 | Very high | 63 Ų | 63 | 56 Ų | 56 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 179.7 | 175.2 | 64.1 | 174.5 | 0 | 0 | 0 | 110.4 | C113 E114 E115 V117 | I109-C113 CarbonylContact O-C 3.49Å; I109-C113 VanDerWaalsContact O-C 3.28Å; I109-C113 VanDerWaalsContact O-CA 3.24Å; I109-C113 WeakPolarHBondContact O-CA 3.36Å; I109-E114 PolarHBondContact O-N 3.12Å; I109-E115 HydrophobicContact CG1-CB 3.77Å; I109-E115 PolarHBondContact N-O 2.02Å; I109-E115 PolarHBondContact O-N 2.8Å; I109-V117 HydrophobicContact CB-CG2 4.22Å; I109-V117 HydrophobicContact CD1-CG2 4.11Å; I109-V117 HydrophobicContact CG1-CG2 3.89Å; I109-V117 HydrophobicContact CG2-CG2 3.53Å |
| 110 | G | 91.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 102.3 | 172.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q112 | G110-Q112 VanDerWaalsContact C-N 3.27Å; G110-Q112 PolarHBondContact O-N 3.46Å |
| 111 | I | 91.7 | Very high | 91.8 | Very high | 76 Ų | 76 | 59.6 Ų | 59.6 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -70.5 | -30.3 | -177.1 | -69.2 | 156.6 | 0 | 0 | 0 | 110.8 | A74 T77 I79 C102 E114 | A74-I111 HydrophobicContact CB-CG2 3.58Å; T77-I111 HydrophobicContact CG2-CD1 3.79Å; T77-I111 HydrophobicContact CG2-CG2 4.49Å; I79-I111 HydrophobicContact CD1-CB 4.09Å; I79-I111 HydrophobicContact CD1-CD1 4.09Å; I79-I111 HydrophobicContact CD1-CG2 3.76Å; C102-I111 WeakPolarHBondContact CB-O 3.26Å; C102-I111 PolarHBondContact SG-O 3.4Å; I111-E114 PolarHBondContact N-OE1 3.21Å; I111-E114 PolarHBondContact N-OE2 3.13Å |
| 112 | Q | 94.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -113.2 | 12.5 | 179.3 | -59.2 | -172.3 | -96.5 | 0 | 0 | 112.4 | I79 L81 Q84 G85 N87 G110 E114 | I79-Q112 HydrophobicContact CG2-CG 3.85Å; L81-Q112 HydrophobicContact CD2-CG 3.77Å; Q84-Q112 VanDerWaalsContact CB-NE2 3.35Å; G85-Q112 PolarHBondContact O-NE2 3.33Å; G85-Q112 VanDerWaalsContact O-NE2 3.13Å; N87-Q112 WeakPolarHBondContact CB-O 3.26Å; N87-Q112 PolarHBondContact N-O 3.03Å; G110-Q112 VanDerWaalsContact C-N 3.27Å; G110-Q112 PolarHBondContact O-N 3.46Å; Q112-E114 VanDerWaalsContact C-N 3.26Å; Q112-E114 WeakPolarHBondContact CA-OE2 3.37Å; Q112-E114 WeakPolarHBondContact CB-OE2 3.03Å; Q112-E114 PolarHBondContact N-OE2 3.46Å; Q112-E114 PolarHBondContact O-N 2.89Å |
| 113 | C | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 60.7 | 33.6 | -174 | -43.8 | 0 | 0 | 0 | 0 | 113.5 | N88 C102 C104 I109 | N88-C113 PolarHBondContact ND2-O 3.15Å; C102-C113 VanDerWaalsContact CB-SG 3.51Å; C104-C113 WeakPolarHBondContact CA-SG 3.25Å; C104-C113 HydrophobicContact CB-CB 3.7Å; C104-C113 WeakPolarHBondContact CB-SG 3.04Å; C104-C113 WeakPolarHBondContact SG-CA 3.46Å; C104-C113 WeakPolarHBondContact SG-CB 3.03Å; C104-C113 CovalentContact SG-SG 2.03Å; C104-C113 PolarHBondContact SG-SG 3.32Å; I109-C113 CarbonylContact O-C 3.49Å; I109-C113 VanDerWaalsContact O-C 3.28Å; I109-C113 VanDerWaalsContact O-CA 3.24Å; I109-C113 WeakPolarHBondContact O-CA 3.36Å |
| 114 | E | 93.8 | Very high | 91.2 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -82.6 | -21.4 | -173.4 | 66.5 | -82 | -157.2 | 0 | 0 | 114 | N87 I109 I111 Q112 | N87-E114 WeakPolarHBondContact ND2-CB 3.25Å; I109-E114 PolarHBondContact O-N 3.12Å; I111-E114 PolarHBondContact N-OE1 3.21Å; I111-E114 PolarHBondContact N-OE2 3.13Å; Q112-E114 VanDerWaalsContact C-N 3.26Å; Q112-E114 WeakPolarHBondContact CA-OE2 3.37Å; Q112-E114 WeakPolarHBondContact CB-OE2 3.03Å; Q112-E114 PolarHBondContact N-OE2 3.46Å; Q112-E114 PolarHBondContact O-N 2.89Å | ||
| 115 | E | 93.4 | Very high | 90.9 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.8 | -177 | -64.4 | 177.7 | -162.6 | 0 | 0 | 110.6 | Y108 I109 | Y108-E115 CarbonylContact C-O 3.27Å; Y108-E115 WeakPolarHBondContact CA-O 3.41Å; I109-E115 HydrophobicContact CG1-CB 3.77Å; I109-E115 PolarHBondContact N-O 2.02Å; I109-E115 PolarHBondContact O-N 2.8Å |
| 116 | D | 91.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 16% | 0.16 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.9 | 170.5 | -178.1 | -6.8 | 0 | 0 | 0 | 109.9 | R107 Y108 C118 E119 | R107-D116 WeakPolarHBondContact CG-OD1 2.97Å; R107-D116 IonicContact CZ-OD1 2.62Å; R107-D116 IonicContact CZ-OD2 2.65Å; R107-D116 VanDerWaalsContact NE-CG 3.33Å; R107-D116 IonicContact NE-OD1 3.33Å; R107-D116 PolarHBondContact NE-OD1 2.93Å; R107-D116 IonicContact NE-OD2 2.75Å; R107-D116 PolarHBondContact NE-OD2 2.75Å; R107-D116 IonicContact NH2-OD1 3.39Å; R107-D116 IonicContact NH2-OD2 3.88Å; R107-D116 PolarHBondContact NH2-OD2 2.9Å; Y108-D116 HydrophobicContact CD1-CB 4.04Å; Y108-D116 HydrophobicContact CE1-CB 3.84Å; D116-C118 PolarHBondContact O-N 2.03Å; D116-C118 PolarHBondContact OD1-N 3.08Å; D116-E119 HydrophobicContact CB-CB 3.88Å; D116-E119 PolarHBondContact O-N 2.74Å |
| 117 | V | 91.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.3 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | R107 I109 T121 P135 | R107-V117 VanDerWaalsContact O-CB 3.31Å; R107-V117 WeakPolarHBondContact O-CB 3.49Å; R107-V117 VanDerWaalsContact O-CG2 3.28Å; R107-V117 WeakPolarHBondContact O-CG2 3.46Å; R107-V117 PolarHBondContact O-N 2.87Å; I109-V117 HydrophobicContact CB-CG2 4.22Å; I109-V117 HydrophobicContact CD1-CG2 4.11Å; I109-V117 HydrophobicContact CG1-CG2 3.89Å; I109-V117 HydrophobicContact CG2-CG2 3.53Å; V117-T121 PolarHBondContact O-OG1 3Å; V117-T121 VanDerWaalsContact O-OG1 3.1Å; V117-P135 HydrophobicContact CG1-CB 3.75Å; V117-P135 HydrophobicContact CG1-CG 3.81Å; V117-P135 WeakPolarHBondContact O-CB 3.4Å |
| 118 | C | 90.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -8.7 | -177.3 | -77.6 | 0 | 0 | 0 | 0 | 114.2 | D116 G120 T121 C128 | D116-C118 PolarHBondContact O-N 2.03Å; D116-C118 PolarHBondContact OD1-N 3.08Å; C118-G120 PolarHBondContact O-N 3.2Å; C118-T121 PolarHBondContact O-N 2.88Å; C118-C128 WeakPolarHBondContact CA-SG 3.01Å; C118-C128 HydrophobicContact CB-CB 3.5Å; C118-C128 VanDerWaalsContact CB-CB 3.5Å; C118-C128 WeakPolarHBondContact CB-SG 3.36Å; C118-C128 WeakPolarHBondContact SG-CB 3.45Å; C118-C128 CovalentContact SG-SG 2.04Å; C118-C128 PolarHBondContact SG-SG 2.8Å |
| 119 | E | 89.8 | Confident | 90.6 | Very high | 149 Ų | 149 | 50.6 Ų | 50.6 | 70% | 0.696 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 123.5 | 179.9 | -173.5 | 169.9 | -167.1 | 0 | 0 | 110.3 | D116 T121 | D116-E119 HydrophobicContact CB-CB 3.88Å; D116-E119 PolarHBondContact O-N 2.74Å; E119-T121 PolarHBondContact O-N 3.23Å; E119-T121 PolarHBondContact O-OG1 3.21Å |
| 120 | G | 85.1 | Confident | 90.3 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 5.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | C118 | C118-G120 PolarHBondContact O-N 3.2Š|
| 121 | T | 89.7 | Confident | 89.6 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -49.6 | -171 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | V117 C118 E119 P135 N147 | V117-T121 PolarHBondContact O-OG1 3Å; V117-T121 VanDerWaalsContact O-OG1 3.1Å; C118-T121 PolarHBondContact O-N 2.88Å; E119-T121 PolarHBondContact O-N 3.23Å; E119-T121 PolarHBondContact O-OG1 3.21Å; T121-P135 HydrophobicContact CG2-CB 3.65Å; T121-P135 HydrophobicContact CG2-CG 3.61Å; T121-N147 WeakPolarHBondContact O-CB 2.98Å |
| 122 | C | 92 | Very high | 89 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -90.5 | 114.5 | -178.8 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | G126 C128 C137 | C122-G126 WeakPolarHBondContact CB-O 3.02Å; C122-C128 HydrophobicContact CB-CB 4.42Å; C122-C128 WeakPolarHBondContact SG-CA 3.27Å; C122-C128 WeakPolarHBondContact SG-CB 3.38Å; C122-C137 WeakPolarHBondContact CA-SG 3.46Å; C122-C137 HydrophobicContact CB-CB 3.81Å; C122-C137 WeakPolarHBondContact CB-SG 3.21Å; C122-C137 WeakPolarHBondContact SG-CA 3.1Å; C122-C137 WeakPolarHBondContact SG-CB 3.46Å; C122-C137 CovalentContact SG-SG 2.03Å; C122-C137 PolarHBondContact SG-SG 3.16Å |
| 123 | L | 91.8 | Very high | 88.1 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 40% | 0.398 | 33% | 0.333 | S | S | . | . | trans | -87.7 | 173.2 | -179.1 | -58.1 | -175 | 0 | 0 | 0 | 111.5 | G125 G126 N147 C148 | L123-G125 PolarHBondContact O-N 3.17Å; L123-G126 PolarHBondContact O-N 3.28Å; L123-N147 WeakPolarHBondContact CB-O 3.38Å; L123-N147 PolarHBondContact N-O 3Å; L123-C148 WeakPolarHBondContact O-CB 3.24Å | ||
| 124 | N | 88.8 | Confident | 87.6 | Confident | 74 Ų | 74 | 65 Ų | 65 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 33.6 | 174.2 | -59.8 | -44.2 | 0 | 0 | 0 | 114.3 | G126 F143 C148 | N124-G126 VanDerWaalsContact C-N 3.32Å; N124-G126 PolarHBondContact O-N 3.26Å; N124-F143 HydrophobicContact CB-CB 4.4Å; N124-F143 HydrophobicContact CB-CD1 3.55Å; N124-F143 HydrophobicContact CB-CD2 3.76Å; N124-F143 HydrophobicContact CB-CE1 3.61Å; N124-F143 HydrophobicContact CB-CE2 3.82Å; N124-F143 HydrophobicContact CB-CG 3.62Å; N124-F143 HydrophobicContact CB-CZ 3.74Å; N124-F143 VanDerWaalsContact ND2-CD1 3.26Å; N124-F143 WeakPolarHBondContact ND2-CD1 3.41Å; N124-F143 WeakPolarHBondContact ND2-CE1 3.35Å; N124-C148 PolarHBondContact ND2-O 2.03Å |
| 125 | G | 86.2 | Confident | 87.3 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 17.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L123 R140 | L123-G125 PolarHBondContact O-N 3.17Å; G125-R140 WeakPolarHBondContact O-CD 2.99Å; G125-R140 WeakPolarHBondContact O-CG 3.01Å; G125-R140 PolarHBondContact O-NE 2.81Å |
| 126 | G | 88 | Confident | 87.1 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 148 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C122 L123 N124 F138 | C122-G126 WeakPolarHBondContact CB-O 3.02Å; L123-G126 PolarHBondContact O-N 3.28Å; N124-G126 VanDerWaalsContact C-N 3.32Å; N124-G126 PolarHBondContact O-N 3.26Å; G126-F138 CarbonylContact C-O 3.33Å; G126-F138 WeakPolarHBondContact CA-O 3.39Å |
| 127 | T | 88.4 | Confident | 87 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.9 | 179 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | C137 F138 | T127-C137 WeakPolarHBondContact O-CA 3.37Å; T127-F138 PolarHBondContact N-O 3.26Å; T127-F138 PolarHBondContact O-N 3.26Å |
| 128 | C | 90.2 | Very high | 86.8 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.8 | 174 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | C118 C122 | C118-C128 WeakPolarHBondContact CA-SG 3.01Å; C118-C128 HydrophobicContact CB-CB 3.5Å; C118-C128 VanDerWaalsContact CB-CB 3.5Å; C118-C128 WeakPolarHBondContact CB-SG 3.36Å; C118-C128 WeakPolarHBondContact SG-CB 3.45Å; C118-C128 CovalentContact SG-SG 2.04Å; C118-C128 PolarHBondContact SG-SG 2.8Å; C122-C128 HydrophobicContact CB-CB 4.42Å; C122-C128 WeakPolarHBondContact SG-CA 3.27Å; C122-C128 WeakPolarHBondContact SG-CB 3.38Å |
| 129 | V | 87.9 | Confident | 86.5 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.3 | 167.9 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | H136 F138 | V129-H136 PolarHBondContact N-O 3.1Å; V129-H136 WeakPolarHBondContact O-CB 3.25Å; V129-H136 PolarHBondContact O-N 3.01Å; V129-F138 HydrophobicContact CB-CD2 4.48Å; V129-F138 HydrophobicContact CB-CE2 3.94Å; V129-F138 HydrophobicContact CG2-CD2 3.83Å; V129-F138 HydrophobicContact CG2-CE2 3.51Å |
| 130 | P | 85.3 | Confident | 86.2 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.6 | 177.3 | 29.8 | -31.3 | 0 | 0 | 0 | 110.2 | D106 R107 | D106-P130 WeakPolarHBondContact O-CB 3.19Å; R107-P130 HydrophobicContact CB-CB 4.23Å; R107-P130 HydrophobicContact CB-CG 3.86Å; R107-P130 HydrophobicContact CG-CG 4.24Å |
| 131 | A | 77.5 | Confident | 85.8 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 44% | 0.438 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 108.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G133 K134 | A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.8Å; A131-K134 PolarHBondContact N-O 3.14Å; A131-K134 PolarHBondContact O-N 2.84Å |
| 132 | R | 77.8 | Confident | 85.2 | Confident | 238 Ų | 238 | 60.1 Ų | 60.1 | 90% | 0.898 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 45.3 | 179.1 | -57.4 | -178.9 | 178.4 | 172.6 | 0.4 | 113.1 | K134 | R132-K134 VanDerWaalsContact C-N 3.27Å; R132-K134 PolarHBondContact O-N 3.01Å |
| 133 | G | 76 | Confident | 84.8 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 13.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A131 | A131-G133 VanDerWaalsContact C-N 3.31Å; A131-G133 PolarHBondContact O-N 2.8Å |
| 134 | K | 83.5 | Confident | 84.5 | Confident | 156 Ų | 156 | 59.7 Ų | 59.7 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.8 | 172.9 | -64.4 | -173.5 | 178.8 | -174.1 | 0 | 110.7 | A131 R132 | A131-K134 PolarHBondContact N-O 3.14Å; A131-K134 PolarHBondContact O-N 2.84Å; R132-K134 VanDerWaalsContact C-N 3.27Å; R132-K134 PolarHBondContact O-N 3.01Å |
| 135 | P | 88.4 | Confident | 84.3 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.7 | 176.5 | 25.2 | -19.7 | 0 | 0 | 0 | 109.7 | V117 T121 | V117-P135 HydrophobicContact CG1-CB 3.75Å; V117-P135 HydrophobicContact CG1-CG 3.81Å; V117-P135 WeakPolarHBondContact O-CB 3.4Å; T121-P135 HydrophobicContact CG2-CB 3.65Å; T121-P135 HydrophobicContact CG2-CG 3.61Å |
| 136 | H | 89.1 | Confident | 84.4 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.7 | 166.2 | -171 | 69.7 | 0 | 0 | 0 | 109.1 | V129 F138 | V129-H136 PolarHBondContact N-O 3.1Å; V129-H136 WeakPolarHBondContact O-CB 3.25Å; V129-H136 PolarHBondContact O-N 3.01Å; H136-F138 AromaticContact CD2-CE1 3.72Å; H136-F138 AromaticContact CD2-CZ 3.58Å; H136-F138 AromaticContact NE2-CE1 3.68Å; H136-F138 AromaticContact NE2-CZ 3.99Å |
| 137 | C | 90.2 | Very high | 84.5 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 9% | 0.088 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.3 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | C122 T127 S146 C148 | C122-C137 WeakPolarHBondContact CA-SG 3.46Å; C122-C137 HydrophobicContact CB-CB 3.81Å; C122-C137 WeakPolarHBondContact CB-SG 3.21Å; C122-C137 WeakPolarHBondContact SG-CA 3.1Å; C122-C137 WeakPolarHBondContact SG-CB 3.46Å; C122-C137 CovalentContact SG-SG 2.03Å; C122-C137 PolarHBondContact SG-SG 3.16Å; T127-C137 WeakPolarHBondContact O-CA 3.37Å; C137-S146 WeakPolarHBondContact CB-O 3.14Å; C137-C148 VanDerWaalsContact CB-SG 3.59Å |
| 138 | F | 86.6 | Confident | 84.6 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.9 | 164.4 | -63.1 | -67.4 | 0 | 0 | 0 | 109 | G126 T127 V129 H136 Y215 | G126-F138 CarbonylContact C-O 3.33Å; G126-F138 WeakPolarHBondContact CA-O 3.39Å; T127-F138 PolarHBondContact N-O 3.26Å; T127-F138 PolarHBondContact O-N 3.26Å; V129-F138 HydrophobicContact CB-CD2 4.48Å; V129-F138 HydrophobicContact CB-CE2 3.94Å; V129-F138 HydrophobicContact CG2-CD2 3.83Å; V129-F138 HydrophobicContact CG2-CE2 3.51Å; H136-F138 AromaticContact CD2-CE1 3.72Å; H136-F138 AromaticContact CD2-CZ 3.58Å; H136-F138 AromaticContact NE2-CE1 3.68Å; H136-F138 AromaticContact NE2-CZ 3.99Å; F138-Y215 HydrophobicContact CB-CD1 3.83Å; F138-Y215 HydrophobicContact CB-CE1 4.3Å; F138-Y215 HydrophobicContact CB-CG 4.49Å |
| 139 | C | 84.9 | Confident | 84.7 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 10% | 0.095 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 141.9 | -174.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | F143 C148 V189 Y215 | C139-F143 HydrophobicContact CB-CB 4.34Å; C139-F143 VanDerWaalsContact CB-O 3.24Å; C139-F143 WeakPolarHBondContact CB-O 3.02Å; C139-C148 WeakPolarHBondContact CA-SG 3.45Å; C139-C148 HydrophobicContact CB-CB 3.66Å; C139-C148 WeakPolarHBondContact CB-SG 3.47Å; C139-C148 WeakPolarHBondContact SG-CA 3.33Å; C139-C148 WeakPolarHBondContact SG-CB 3.44Å; C139-C148 CovalentContact SG-SG 2.04Å; C139-C148 PolarHBondContact SG-SG 3.46Å; C139-V189 HydrophobicContact CB-CG2 3.86Å; C139-V189 WeakPolarHBondContact O-CG2 3.09Å; C139-Y215 WeakPolarHBondContact O-CE1 3.49Å |
| 140 | R | 82 | Confident | 84.6 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 45% | 0.445 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 158.4 | 168.9 | -81.7 | -177.3 | -177.7 | -125.7 | 0.8 | 110.6 | G125 G142 F143 Y215 | G125-R140 WeakPolarHBondContact O-CD 2.99Å; G125-R140 WeakPolarHBondContact O-CG 3.01Å; G125-R140 PolarHBondContact O-NE 2.81Å; R140-G142 PolarHBondContact O-N 3.06Å; R140-F143 HydrophobicContact CB-CD2 4.43Å; R140-F143 PolarHBondContact O-N 3.2Å; R140-Y215 HydrophobicContact CG-CE1 4.33Å; R140-Y215 WeakPolarHBondContact CG-OH 3.48Å |
| 141 | R | 76.4 | Confident | 84.4 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 129.1 | 173.9 | -78.8 | -173.7 | 178.8 | 109.4 | 0.8 | 111 | V179 A213 E214 | R141-V179 HydrophobicContact CB-CG1 3.85Å; R141-V179 HydrophobicContact CG-CG1 4.31Å; R141-A213 PolarHBondContact NH2-O 3.32Å; R141-E214 HydrophobicContact CG-CG 4.23Å |
| 142 | G | 77.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -3.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R140 A151 L152 V177 K178 | R140-G142 PolarHBondContact O-N 3.06Å; G142-A151 CarbonylContact O-C 3.56Å; G142-A151 WeakPolarHBondContact O-CA 3.17Å; G142-L152 PolarHBondContact O-N 3.33Å; G142-V177 WeakPolarHBondContact O-CG1 2.99Å; G142-K178 WeakPolarHBondContact CA-O 3.23Å |
| 143 | F | 84.7 | Confident | 83.9 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.5 | 175.6 | -62.4 | -80.9 | 0 | 0 | 0 | 112.2 | N124 C139 R140 C148 E150 A151 V189 | N124-F143 HydrophobicContact CB-CB 4.4Å; N124-F143 HydrophobicContact CB-CD1 3.55Å; N124-F143 HydrophobicContact CB-CD2 3.76Å; N124-F143 HydrophobicContact CB-CE1 3.61Å; N124-F143 HydrophobicContact CB-CE2 3.82Å; N124-F143 HydrophobicContact CB-CG 3.62Å; N124-F143 HydrophobicContact CB-CZ 3.74Å; N124-F143 VanDerWaalsContact ND2-CD1 3.26Å; N124-F143 WeakPolarHBondContact ND2-CD1 3.41Å; N124-F143 WeakPolarHBondContact ND2-CE1 3.35Å; C139-F143 HydrophobicContact CB-CB 4.34Å; C139-F143 VanDerWaalsContact CB-O 3.24Å; C139-F143 WeakPolarHBondContact CB-O 3.02Å; R140-F143 HydrophobicContact CB-CD2 4.43Å; R140-F143 PolarHBondContact O-N 3.2Å; F143-C148 HydrophobicContact CB-CB 4.42Å; F143-E150 CarbonylContact C-O 3.44Å; F143-E150 VanDerWaalsContact CA-O 3.23Å; F143-E150 WeakPolarHBondContact CA-O 3.49Å; F143-A151 HydrophobicContact CE1-CB 4.46Å; F143-V189 VanDerWaalsContact O-CG1 3.28Å; F143-V189 WeakPolarHBondContact O-CG1 3.34Å; F143-V189 WeakPolarHBondContact O-CG2 3.4Å |
| 144 | T | 83.7 | Confident | 83.5 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | -178.3 | -177.3 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | C148 S149 E150 | T144-C148 CarbonylContact O-C 3.58Å; T144-C148 WeakPolarHBondContact O-CA 2.97Å; T144-S149 PolarHBondContact O-N 3.27Å; T144-E150 HydrophobicContact CG2-CB 3.69Å; T144-E150 PolarHBondContact N-O 3.37Å; T144-E150 WeakPolarHBondContact O-CB 3.36Å; T144-E150 PolarHBondContact O-N 3.46Å; T144-E150 VanDerWaalsContact O-N 3.11Å |
| 145 | G | 85.5 | Confident | 82.6 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 90.5 | 165.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N147 C148 | G145-N147 PolarHBondContact O-N 2.87Å; G145-N147 VanDerWaalsContact O-N 3.17Å; G145-C148 PolarHBondContact O-N 3.35Å |
| 146 | S | 88.1 | Confident | 81 | Confident | 112 Ų | 112 | 54.6 Ų | 54.6 | 78% | 0.783 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.9 | -176.5 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | C137 | C137-S146 WeakPolarHBondContact CB-O 3.14Š|
| 147 | N | 91.4 | Very high | 79.2 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 12.3 | 179.9 | 69.9 | -12.5 | 0 | 0 | 0 | 113 | T121 L123 G145 S149 | T121-N147 WeakPolarHBondContact O-CB 2.98Å; L123-N147 WeakPolarHBondContact CB-O 3.38Å; L123-N147 PolarHBondContact N-O 3Å; G145-N147 PolarHBondContact O-N 2.87Å; G145-N147 VanDerWaalsContact O-N 3.17Å; N147-S149 PolarHBondContact O-N 3.39Å; N147-S149 WeakPolarHBondContact OD1-CB 3.18Å; N147-S149 PolarHBondContact OD1-N 3.29Å; N147-S149 VanDerWaalsContact OD1-N 3.15Å; N147-S149 PolarHBondContact OD1-OG 3.41Å |
| 148 | C | 90.5 | Very high | 77.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 61.8 | 21.3 | -179.5 | -46.6 | 0 | 0 | 0 | 0 | 115.4 | L123 N124 C137 C139 F143 T144 G145 | L123-C148 WeakPolarHBondContact O-CB 3.24Å; N124-C148 PolarHBondContact ND2-O 2.03Å; C137-C148 VanDerWaalsContact CB-SG 3.59Å; C139-C148 WeakPolarHBondContact CA-SG 3.45Å; C139-C148 HydrophobicContact CB-CB 3.66Å; C139-C148 WeakPolarHBondContact CB-SG 3.47Å; C139-C148 WeakPolarHBondContact SG-CA 3.33Å; C139-C148 WeakPolarHBondContact SG-CB 3.44Å; C139-C148 CovalentContact SG-SG 2.04Å; C139-C148 PolarHBondContact SG-SG 3.46Å; F143-C148 HydrophobicContact CB-CB 4.42Å; T144-C148 CarbonylContact O-C 3.58Å; T144-C148 WeakPolarHBondContact O-CA 2.97Å; G145-C148 PolarHBondContact O-N 3.35Å |
| 149 | S | 91.1 | Very high | 75.7 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | trans | -75.8 | -21.9 | -179 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | T144 N147 | T144-S149 PolarHBondContact O-N 3.27Å; N147-S149 PolarHBondContact O-N 3.39Å; N147-S149 WeakPolarHBondContact OD1-CB 3.18Å; N147-S149 PolarHBondContact OD1-N 3.29Å; N147-S149 VanDerWaalsContact OD1-N 3.15Å; N147-S149 PolarHBondContact OD1-OG 3.41Å | ||
| 150 | E | 85.4 | Confident | 75.2 | Confident | 113 Ų | 113 | 67.4 Ų | 67.4 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.5 | -171.1 | -61.6 | 173.4 | -160.3 | 0 | 0 | 110.4 | F143 T144 | F143-E150 CarbonylContact C-O 3.44Å; F143-E150 VanDerWaalsContact CA-O 3.23Å; F143-E150 WeakPolarHBondContact CA-O 3.49Å; T144-E150 HydrophobicContact CG2-CB 3.69Å; T144-E150 PolarHBondContact N-O 3.37Å; T144-E150 WeakPolarHBondContact O-CB 3.36Å; T144-E150 PolarHBondContact O-N 3.46Å; T144-E150 VanDerWaalsContact O-N 3.11Å |
| 151 | A | 81.5 | Confident | 75.2 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 140.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G142 F143 K153 V177 | G142-A151 CarbonylContact O-C 3.56Å; G142-A151 WeakPolarHBondContact O-CA 3.17Å; F143-A151 HydrophobicContact CE1-CB 4.46Å; A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.08Å; A151-V177 HydrophobicContact CB-CG1 4.47Å; A151-V177 HydrophobicContact CB-CG2 4.26Å |
| 152 | L | 75.5 | Confident | 75.7 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | trans | -71.6 | 104.4 | 175.3 | -171 | 69.7 | 0 | 0 | 0 | 109.1 | G142 T160 K178 | G142-L152 PolarHBondContact O-N 3.33Å; L152-T160 HydrophobicContact CD1-CG2 4.3Å; L152-T160 HydrophobicContact CD2-CG2 4.29Å; L152-K178 WeakPolarHBondContact CB-O 3.4Å; L152-K178 HydrophobicContact CD2-CB 4.11Å; L152-K178 WeakPolarHBondContact CD2-O 3.25Å; L152-K178 HydrophobicContact CG-CB 4.17Å; L152-K178 WeakPolarHBondContact O-CB 3.36Å; L152-K178 PolarHBondContact O-N 2.65Å | ||
| 153 | K | 69.9 | Low | 76.2 | Confident | 176 Ų | 176 | 66.7 Ų | 66.7 | 77% | 0.765 | 40% | 0.395 | S | S | * | . | trans | -84.8 | -27.4 | -173 | -68 | -179.3 | -178.8 | 178.2 | 0 | 114.2 | A151 | A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.08Å | ||
| 154 | S | 67.2 | Low | 76.3 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | trans | -144.5 | 145.1 | 178 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 155 | C | 65.1 | Low | 76.4 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 22% | 0.223 | 41% | 0.41 | C | S | . | . | trans | -85.8 | 104.6 | 151.8 | -63.1 | 0 | 0 | 0 | 0 | 104.4 | T160 C167 | C155-T160 VanDerWaalsContact CA-OG1 3.28Å; C155-T160 WeakPolarHBondContact CA-OG1 3.48Å; C155-C167 HydrophobicContact CB-CB 3.62Å; C155-C167 WeakPolarHBondContact CB-SG 3.42Å; C155-C167 WeakPolarHBondContact SG-CB 3.44Å; C155-C167 CovalentContact SG-SG 2.01Å; C155-C167 PolarHBondContact SG-SG 3.02Å | ||
| 156 | G | 54.8 | Low | 76.5 | Confident | 32 Ų | 32 | 69 Ų | 69 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | trans | -54.8 | 165.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S158 G159 T160 | G156-S158 PolarHBondContact O-N 3.07Å; G156-G159 PolarHBondContact O-N 3.1Å; G156-T160 PolarHBondContact N-OG1 2.8Å | ||
| 157 | E | 50.2 | Low | 76.4 | Confident | 212 Ų | 212 | 66.2 Ų | 66.2 | 99% | 0.991 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -8.8 | -176.5 | -70 | -179.4 | 157.5 | 0 | 0 | 114.7 | ||
| 158 | S | 47.7 | Very low | 76.1 | Confident | 128 Ų | 128 | 67.5 Ų | 67.5 | 90% | 0.895 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 11.3 | 178.9 | -46.2 | 0 | 0 | 0 | 0 | 115 | G156 | G156-S158 PolarHBondContact O-N 3.07Š|
| 159 | G | 57 | Low | 75.7 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 79.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G156 C161 | G156-G159 PolarHBondContact O-N 3.1Å; G159-C161 PolarHBondContact O-N 2.95Å; G159-C161 VanDerWaalsContact O-N 3.11Å |
| 160 | T | 73.9 | Confident | 75 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 23% | 0.233 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -52.1 | -32.6 | 172.7 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | L152 C155 G156 Q162 T190 | L152-T160 HydrophobicContact CD1-CG2 4.3Å; L152-T160 HydrophobicContact CD2-CG2 4.29Å; C155-T160 VanDerWaalsContact CA-OG1 3.28Å; C155-T160 WeakPolarHBondContact CA-OG1 3.48Å; G156-T160 PolarHBondContact N-OG1 2.8Å; T160-Q162 PolarHBondContact O-N 2.04Å; T160-T190 HydrophobicContact CG2-CG2 3.52Å; T160-T190 VanDerWaalsContact O-CB 3.25Å; T160-T190 WeakPolarHBondContact O-CB 3.45Å |
| 161 | C | 82.4 | Confident | 74.7 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.095 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -79.9 | 103.4 | 175.8 | -46.9 | 0 | 0 | 0 | 0 | 110.1 | G159 G165 C180 T190 | G159-C161 PolarHBondContact O-N 2.95Å; G159-C161 VanDerWaalsContact O-N 3.11Å; C161-G165 VanDerWaalsContact CB-O 3.32Å; C161-G165 WeakPolarHBondContact CB-O 3.26Å; C161-C180 WeakPolarHBondContact CA-SG 3.37Å; C161-C180 HydrophobicContact CB-CB 3.7Å; C161-C180 WeakPolarHBondContact CB-SG 2.93Å; C161-C180 WeakPolarHBondContact SG-CA 3.5Å; C161-C180 WeakPolarHBondContact SG-CB 3Å; C161-C180 CovalentContact SG-SG 2.04Å; C161-C180 PolarHBondContact SG-SG 3.21Å; C161-T190 CarbonylContact C-O 3.58Å |
| 162 | Q | 86.6 | Confident | 74.1 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | trans | -71.7 | 171 | 177.4 | -56.7 | -173.1 | 28.1 | 0 | 0 | 111.2 | T160 G164 G165 T190 C191 E192 | T160-Q162 PolarHBondContact O-N 2.04Å; Q162-G164 PolarHBondContact O-N 2.63Å; Q162-G165 PolarHBondContact O-N 3.46Å; Q162-T190 WeakPolarHBondContact CB-O 3.15Å; Q162-T190 PolarHBondContact N-O 2.56Å; Q162-C191 WeakPolarHBondContact O-CB 3.49Å; Q162-E192 HydrophobicContact CG-CB 4.42Å | ||
| 163 | N | 88.4 | Confident | 74.1 | Confident | 69 Ų | 69 | 77.5 Ų | 77.5 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.8 | 172.1 | -59.7 | -50.3 | 0 | 0 | 0 | 115.1 | Y186 C191 | N163-Y186 HydrophobicContact CB-CD1 3.4Å; N163-Y186 VanDerWaalsContact CB-CD1 3.4Å; N163-Y186 HydrophobicContact CB-CD2 3.84Å; N163-Y186 HydrophobicContact CB-CE1 3.52Å; N163-Y186 HydrophobicContact CB-CE2 3.94Å; N163-Y186 HydrophobicContact CB-CG 3.55Å; N163-Y186 VanDerWaalsContact ND2-CD1 3.3Å; N163-Y186 WeakPolarHBondContact ND2-CD1 3.4Å; N163-C191 PolarHBondContact ND2-O 3.38Å |
| 164 | G | 85.7 | Confident | 74.4 | Confident | 62 Ų | 62 | 74.3 Ų | 74.3 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 22.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q162 | Q162-G164 PolarHBondContact O-N 2.63Š|
| 165 | G | 86.7 | Confident | 74.7 | Confident | 16 Ų | 16 | 77 Ų | 77 | 17% | 0.165 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 149.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C161 Q162 K181 | C161-G165 VanDerWaalsContact CB-O 3.32Å; C161-G165 WeakPolarHBondContact CB-O 3.26Å; Q162-G165 PolarHBondContact O-N 3.46Å; G165-K181 CarbonylContact C-O 3.49Å; G165-K181 WeakPolarHBondContact CA-O 3.18Å |
| 166 | T | 86.6 | Confident | 75.2 | Confident | 85 Ų | 85 | 81.6 Ų | 81.6 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.2 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | K181 | T166-K181 PolarHBondContact N-O 3.35Å; T166-K181 PolarHBondContact O-N 2.96Å |
| 167 | C | 85.9 | Confident | 76.2 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.9 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | C155 | C155-C167 HydrophobicContact CB-CB 3.62Å; C155-C167 WeakPolarHBondContact CB-SG 3.42Å; C155-C167 WeakPolarHBondContact SG-CB 3.44Å; C155-C167 CovalentContact SG-SG 2.01Å; C155-C167 PolarHBondContact SG-SG 3.02Å |
| 168 | E | 85.2 | Confident | 77.7 | Confident | 79 Ų | 79 | 72.3 Ų | 72.3 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 150.6 | 174.7 | -65.7 | 179.3 | 179.9 | 0 | 0 | 109.6 | K178 V179 K181 | E168-K178 CarbonylContact O-C 3.58Å; E168-K178 WeakPolarHBondContact O-CA 3.49Å; E168-V179 PolarHBondContact N-O 3.31Å; E168-V179 PolarHBondContact O-N 2.82Å; E168-K181 VanDerWaalsContact OE1-CD 3.24Å; E168-K181 WeakPolarHBondContact OE1-CD 2.97Å; E168-K181 IonicContact OE1-NZ 2.99Å |
| 169 | T | 82.8 | Confident | 79.3 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123 | 173.5 | -52.7 | 0 | 0 | 0 | 0 | 108.2 | E176 K178 | T169-E176 HydrophobicContact CG2-CB 4.17Å; T169-E176 HydrophobicContact CG2-CG 4.42Å; T169-K178 HydrophobicContact CG2-CD 4.17Å; T169-K178 WeakPolarHBondContact OG1-CD 3.39Å; T169-K178 PolarHBondContact OG1-NZ 2.94Å |
| 170 | L | 77.1 | Confident | 80.6 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.5 | 172.2 | -60.9 | -175 | 0 | 0 | 0 | 109.1 | V177 V179 | L170-V177 PolarHBondContact N-O 2.86Å; L170-V177 PolarHBondContact O-N 2.97Å; L170-V177 VanDerWaalsContact O-O 3.07Å; L170-V179 HydrophobicContact CD1-CB 4.11Å; L170-V179 HydrophobicContact CD1-CG2 3.53Å; L170-V179 HydrophobicContact CG-CB 4.32Å; L170-V179 HydrophobicContact CG-CG2 3.97Å |
| 171 | V | 77.8 | Confident | 81.2 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 62% | 0.624 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.2 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | E176 | V171-E176 HydrophobicContact CG2-CG 4.42Å |
| 172 | I | 70.3 | Confident | 81.4 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 102.2 | 176.7 | -56.2 | 178.7 | 0 | 0 | 0 | 107.3 | A174 E175 V177 | I172-A174 PolarHBondContact O-N 3.29Å; I172-E175 PolarHBondContact N-O 3.09Å; I172-E175 PolarHBondContact O-N 3.32Å; I172-V177 HydrophobicContact CD1-CG2 4.28Å |
| 173 | G | 75.2 | Confident | 81.5 | Confident | 74 Ų | 74 | 71 Ų | 71 | 76% | 0.763 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -119.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 174 | A | 76.5 | Confident | 81.3 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 89% | 0.893 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -1.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | I172 | I172-A174 PolarHBondContact O-N 3.29Š|
| 175 | E | 71.9 | Confident | 81.3 | Confident | 128 Ų | 128 | 73.9 Ų | 73.9 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.7 | -178.1 | -63.7 | -165.6 | 158.7 | 0 | 0 | 111.5 | I172 | I172-E175 PolarHBondContact N-O 3.09Å; I172-E175 PolarHBondContact O-N 3.32Å |
| 176 | E | 75.9 | Confident | 81.3 | Confident | 131 Ų | 131 | 76.7 Ų | 76.7 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.1 | 166.1 | -67.2 | -169.7 | -179.5 | 0 | 0 | 109.5 | T169 V171 | T169-E176 HydrophobicContact CG2-CB 4.17Å; T169-E176 HydrophobicContact CG2-CG 4.42Å; V171-E176 HydrophobicContact CG2-CG 4.42Å |
| 177 | V | 77 | Confident | 81.1 | Confident | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.3 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | G142 A151 L170 I172 | G142-V177 WeakPolarHBondContact O-CG1 2.99Å; A151-V177 HydrophobicContact CB-CG1 4.47Å; A151-V177 HydrophobicContact CB-CG2 4.26Å; L170-V177 PolarHBondContact N-O 2.86Å; L170-V177 PolarHBondContact O-N 2.97Å; L170-V177 VanDerWaalsContact O-O 3.07Å; I172-V177 HydrophobicContact CD1-CG2 4.28Å |
| 178 | K | 80.3 | Confident | 80.7 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 141.1 | 172.6 | -57.1 | -63 | 174.1 | -176.2 | 0 | 109.6 | G142 L152 E168 T169 | G142-K178 WeakPolarHBondContact CA-O 3.23Å; L152-K178 WeakPolarHBondContact CB-O 3.4Å; L152-K178 HydrophobicContact CD2-CB 4.11Å; L152-K178 WeakPolarHBondContact CD2-O 3.25Å; L152-K178 HydrophobicContact CG-CB 4.17Å; L152-K178 WeakPolarHBondContact O-CB 3.36Å; L152-K178 PolarHBondContact O-N 2.65Å; E168-K178 CarbonylContact O-C 3.58Å; E168-K178 WeakPolarHBondContact O-CA 3.49Å; T169-K178 HydrophobicContact CG2-CD 4.17Å; T169-K178 WeakPolarHBondContact OG1-CD 3.39Å; T169-K178 PolarHBondContact OG1-NZ 2.94Å |
| 179 | V | 82.5 | Confident | 80.4 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.4 | 178.2 | 173 | 0 | 0 | 0 | 0 | 110 | R141 E168 L170 | R141-V179 HydrophobicContact CB-CG1 3.85Å; R141-V179 HydrophobicContact CG-CG1 4.31Å; E168-V179 PolarHBondContact N-O 3.31Å; E168-V179 PolarHBondContact O-N 2.82Å; L170-V179 HydrophobicContact CD1-CB 4.11Å; L170-V179 HydrophobicContact CD1-CG2 3.53Å; L170-V179 HydrophobicContact CG-CB 4.32Å; L170-V179 HydrophobicContact CG-CG2 3.97Å |
| 180 | C | 84.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.7 | 171.5 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | C161 V189 | C161-C180 WeakPolarHBondContact CA-SG 3.37Å; C161-C180 HydrophobicContact CB-CB 3.7Å; C161-C180 WeakPolarHBondContact CB-SG 2.93Å; C161-C180 WeakPolarHBondContact SG-CA 3.5Å; C161-C180 WeakPolarHBondContact SG-CB 3Å; C161-C180 CovalentContact SG-SG 2.04Å; C161-C180 PolarHBondContact SG-SG 3.21Å; C180-V189 WeakPolarHBondContact CB-O 3.24Å |
| 181 | K | 86.8 | Confident | 80.7 | Confident | 122 Ų | 122 | 62 Ų | 62 | 53% | 0.53 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 106 | 167.8 | -176.3 | 175.2 | -178.4 | 176.3 | 0 | 109 | G165 T166 E168 | G165-K181 CarbonylContact C-O 3.49Å; G165-K181 WeakPolarHBondContact CA-O 3.18Å; T166-K181 PolarHBondContact N-O 3.35Å; T166-K181 PolarHBondContact O-N 2.96Å; E168-K181 VanDerWaalsContact OE1-CD 3.24Å; E168-K181 WeakPolarHBondContact OE1-CD 2.97Å; E168-K181 IonicContact OE1-NZ 2.99Å |
| 182 | C | 85.8 | Confident | 81.1 | Confident | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 146.8 | -175.9 | -51.8 | 0 | 0 | 0 | 0 | 112 | Y186 C191 | C182-Y186 WeakPolarHBondContact CB-O 3.18Å; C182-C191 WeakPolarHBondContact CA-SG 3.39Å; C182-C191 HydrophobicContact CB-CB 3.72Å; C182-C191 WeakPolarHBondContact CB-SG 3.33Å; C182-C191 PolarHBondContact N-SG 2.82Å; C182-C191 WeakPolarHBondContact SG-CA 3.33Å; C182-C191 WeakPolarHBondContact SG-CB 3.38Å; C182-C191 CovalentContact SG-SG 2.04Å; C182-C191 PolarHBondContact SG-SG 2.88Å |
| 183 | K | 88.1 | Confident | 81.7 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 153.7 | 169.5 | -171 | 175.3 | 178.9 | -177.5 | 0 | 109.9 | G185 Y186 | K183-G185 PolarHBondContact O-N 3.3Å; K183-Y186 HydrophobicContact CB-CD2 4.46Å; K183-Y186 PolarHBondContact O-N 2.84Å |
| 184 | D | 85.6 | Confident | 82.3 | Confident | 156 Ų | 156 | 62.7 Ų | 62.7 | 83% | 0.834 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 130.6 | 176.3 | -61.9 | -19.3 | 0 | 0 | 0 | 111.7 | ||
| 185 | G | 84.8 | Confident | 82.6 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -3.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K183 E194 V195 | K183-G185 PolarHBondContact O-N 3.3Å; G185-E194 CarbonylContact O-C 3.01Å; G185-E194 WeakPolarHBondContact O-CA 3.35Å; G185-V195 PolarHBondContact O-N 2.91Å |
| 186 | Y | 87.1 | Confident | 83.2 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.7 | 177.2 | -61.8 | -84 | 0 | 0 | 0 | 113 | N163 C182 K183 R193 | N163-Y186 HydrophobicContact CB-CD1 3.4Å; N163-Y186 VanDerWaalsContact CB-CD1 3.4Å; N163-Y186 HydrophobicContact CB-CD2 3.84Å; N163-Y186 HydrophobicContact CB-CE1 3.52Å; N163-Y186 HydrophobicContact CB-CE2 3.94Å; N163-Y186 HydrophobicContact CB-CG 3.55Å; N163-Y186 VanDerWaalsContact ND2-CD1 3.3Å; N163-Y186 WeakPolarHBondContact ND2-CD1 3.4Å; C182-Y186 WeakPolarHBondContact CB-O 3.18Å; K183-Y186 HydrophobicContact CB-CD2 4.46Å; K183-Y186 PolarHBondContact O-N 2.84Å; Y186-R193 CarbonylContact C-O 3.59Å; Y186-R193 VanDerWaalsContact CA-O 3.25Å; Y186-R193 WeakPolarHBondContact CA-O 3.01Å |
| 187 | G | 82.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | -175.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C191 E192 R193 A213 | G187-C191 CarbonylContact O-C 3.15Å; G187-C191 VanDerWaalsContact O-C 3.27Å; G187-C191 VanDerWaalsContact O-CA 3.25Å; G187-C191 WeakPolarHBondContact O-CA 3.43Å; G187-E192 PolarHBondContact O-N 2.99Å; G187-R193 PolarHBondContact N-O 2.83Å; G187-R193 PolarHBondContact O-N 3.35Å; G187-A213 VanDerWaalsContact CA-O 3.23Å; G187-A213 WeakPolarHBondContact CA-O 3.3Å |
| 188 | G | 76.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 93.8 | 166.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T190 C191 E214 | G188-T190 PolarHBondContact O-N 3.03Å; G188-C191 PolarHBondContact O-N 3.46Å; G188-E214 PolarHBondContact N-O 3.2Å |
| 189 | V | 79.4 | Confident | 84.6 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.4 | -175.4 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | C139 F143 C180 E192 | C139-V189 HydrophobicContact CB-CG2 3.86Å; C139-V189 WeakPolarHBondContact O-CG2 3.09Å; F143-V189 VanDerWaalsContact O-CG1 3.28Å; F143-V189 WeakPolarHBondContact O-CG1 3.34Å; F143-V189 WeakPolarHBondContact O-CG2 3.4Å; C180-V189 WeakPolarHBondContact CB-O 3.24Å; V189-E192 PolarHBondContact N-OE2 2.79Å |
| 190 | T | 81.7 | Confident | 84.7 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 18% | 0.184 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 16.6 | -176.5 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | T160 C161 Q162 G188 E192 | T160-T190 HydrophobicContact CG2-CG2 3.52Å; T160-T190 VanDerWaalsContact O-CB 3.25Å; T160-T190 WeakPolarHBondContact O-CB 3.45Å; C161-T190 CarbonylContact C-O 3.58Å; Q162-T190 WeakPolarHBondContact CB-O 3.15Å; Q162-T190 PolarHBondContact N-O 2.56Å; G188-T190 PolarHBondContact O-N 3.03Å; T190-E192 VanDerWaalsContact C-OE2 3.28Å; T190-E192 VanDerWaalsContact CA-OE2 3.29Å; T190-E192 WeakPolarHBondContact CA-OE2 3.31Å; T190-E192 WeakPolarHBondContact CB-OE2 3.27Å; T190-E192 PolarHBondContact N-OE2 2.92Å; T190-E192 PolarHBondContact O-N 3.24Å; T190-E192 PolarHBondContact OG1-OE2 2.91Å |
| 191 | C | 85.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 57.7 | 26.5 | -175.2 | -48.5 | 0 | 0 | 0 | 0 | 113.6 | Q162 N163 C182 G187 G188 R193 | Q162-C191 WeakPolarHBondContact O-CB 3.49Å; N163-C191 PolarHBondContact ND2-O 3.38Å; C182-C191 WeakPolarHBondContact CA-SG 3.39Å; C182-C191 HydrophobicContact CB-CB 3.72Å; C182-C191 WeakPolarHBondContact CB-SG 3.33Å; C182-C191 PolarHBondContact N-SG 2.82Å; C182-C191 WeakPolarHBondContact SG-CA 3.33Å; C182-C191 WeakPolarHBondContact SG-CB 3.38Å; C182-C191 CovalentContact SG-SG 2.04Å; C182-C191 PolarHBondContact SG-SG 2.88Å; G187-C191 CarbonylContact O-C 3.15Å; G187-C191 VanDerWaalsContact O-C 3.27Å; G187-C191 VanDerWaalsContact O-CA 3.25Å; G187-C191 WeakPolarHBondContact O-CA 3.43Å; G188-C191 PolarHBondContact O-N 3.46Å; C191-R193 VanDerWaalsContact C-N 3.32Å; C191-R193 PolarHBondContact O-N 2.76Å |
| 192 | E | 84.3 | Confident | 85 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | trans | -79.6 | -13.4 | -173.4 | 73.6 | -69.9 | 169.8 | 0 | 0 | 113.7 | Q162 G187 V189 T190 | Q162-E192 HydrophobicContact CG-CB 4.42Å; G187-E192 PolarHBondContact O-N 2.99Å; V189-E192 PolarHBondContact N-OE2 2.79Å; T190-E192 VanDerWaalsContact C-OE2 3.28Å; T190-E192 VanDerWaalsContact CA-OE2 3.29Å; T190-E192 WeakPolarHBondContact CA-OE2 3.31Å; T190-E192 WeakPolarHBondContact CB-OE2 3.27Å; T190-E192 PolarHBondContact N-OE2 2.92Å; T190-E192 PolarHBondContact O-N 3.24Å; T190-E192 PolarHBondContact OG1-OE2 2.91Å | ||
| 193 | R | 84.4 | Confident | 85.3 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.1 | -175.5 | -54.8 | -179.1 | -173.3 | 179.5 | -9.5 | 110.6 | Y186 G187 C191 Y215 | Y186-R193 CarbonylContact C-O 3.59Å; Y186-R193 VanDerWaalsContact CA-O 3.25Å; Y186-R193 WeakPolarHBondContact CA-O 3.01Å; G187-R193 PolarHBondContact N-O 2.83Å; G187-R193 PolarHBondContact O-N 3.35Å; C191-R193 VanDerWaalsContact C-N 3.32Å; C191-R193 PolarHBondContact O-N 2.76Å; R193-Y215 PolarHBondContact NH1-O 3.21Å |
| 194 | E | 87.6 | Confident | 85.3 | Confident | 138 Ų | 138 | 62.6 Ų | 62.6 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.3 | 162.9 | -168 | 172.3 | -177.4 | 0 | 0 | 108.4 | G185 Q196 | G185-E194 CarbonylContact O-C 3.01Å; G185-E194 WeakPolarHBondContact O-CA 3.35Å; E194-Q196 PolarHBondContact O-N 3.12Å |
| 195 | V | 83.2 | Confident | 85.5 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 122.7 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | G185 K197 E211 A213 | G185-V195 PolarHBondContact O-N 2.91Å; V195-K197 PolarHBondContact O-N 2.89Å; V195-E211 HydrophobicContact CG1-CB 4.25Å; V195-A213 HydrophobicContact CG2-CB 4.31Å |
| 196 | Q | 84.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 61 Ų | 61 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 128.3 | 170.4 | -67.8 | -177.2 | -12 | 0 | 0 | 109.6 | E194 I218 | E194-Q196 PolarHBondContact O-N 3.12Å; Q196-I218 HydrophobicContact CB-CG2 3.93Å; Q196-I218 VanDerWaalsContact O-CG2 3.26Å; Q196-I218 WeakPolarHBondContact O-CG2 3.48Å |
| 197 | K | 86.9 | Confident | 86 | Confident | 136 Ų | 136 | 58 Ų | 58 | 59% | 0.591 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 151.3 | 178.5 | -66.1 | -179.4 | -177.5 | 172.2 | 0 | 110.2 | V195 E199 | V195-K197 PolarHBondContact O-N 2.89Å; K197-E199 PolarHBondContact O-N 3.13Å |
| 198 | C | 88 | Confident | 86.5 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | trans | -70.2 | 115.9 | 171.2 | -72.6 | 0 | 0 | 0 | 0 | 110.4 | C209 R210 E211 | C198-C209 WeakPolarHBondContact CA-SG 3.23Å; C198-C209 HydrophobicContact CB-CB 3.71Å; C198-C209 WeakPolarHBondContact CB-SG 3.45Å; C198-C209 WeakPolarHBondContact SG-CB 3.35Å; C198-C209 CovalentContact SG-SG 2.04Å; C198-C209 PolarHBondContact SG-SG 3.31Å; C198-R210 PolarHBondContact SG-N 2.99Å; C198-E211 PolarHBondContact N-OE1 2.81Å | ||
| 199 | E | 88.2 | Confident | 87.3 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | trans | -99.6 | 159.4 | 164.6 | -60.9 | -173.2 | 175.5 | 0 | 0 | 109.4 | K197 D201 S202 | K197-E199 PolarHBondContact O-N 3.13Å; E199-D201 PolarHBondContact O-N 3.3Å; E199-D201 VanDerWaalsContact O-N 3.1Å; E199-S202 PolarHBondContact N-OG 3.23Å; E199-S202 WeakPolarHBondContact O-CB 3.37Å; E199-S202 PolarHBondContact O-N 3.09Å; E199-S202 PolarHBondContact O-OG 3.09Å | ||
| 200 | D | 83.7 | Confident | 87.9 | Confident | 145 Ų | 145 | 69.3 Ų | 69.3 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.8 | -174.1 | -66.6 | -29.6 | 0 | 0 | 0 | 112.7 | Y205 | D200-Y205 HydrophobicContact CB-CE1 3.72Å; D200-Y205 WeakPolarHBondContact O-CD1 3.5Å; D200-Y205 VanDerWaalsContact O-CE1 3.26Å; D200-Y205 WeakPolarHBondContact O-CE1 3.45Å |
| 201 | D | 87.4 | Confident | 88.1 | Confident | 63 Ų | 63 | 73.4 Ų | 73.4 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.5 | -179.8 | 67.6 | -17.4 | 0 | 0 | 0 | 114.5 | E199 C203 N204 Y205 | E199-D201 PolarHBondContact O-N 3.3Å; E199-D201 VanDerWaalsContact O-N 3.1Å; D201-C203 PolarHBondContact O-N 3.44Å; D201-C203 VanDerWaalsContact O-N 3.14Å; D201-N204 WeakPolarHBondContact O-CA 3.31Å; D201-N204 PolarHBondContact O-N 3.17Å; D201-Y205 HydrophobicContact CB-CD2 4.2Å; D201-Y205 HydrophobicContact CB-CE1 4.3Å; D201-Y205 HydrophobicContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CZ 3.49Å |
| 202 | S | 90.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 75 Ų | 75 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -37.9 | -177 | -79.3 | 0 | 0 | 0 | 0 | 113.3 | E199 Y230 | E199-S202 PolarHBondContact N-OG 3.23Å; E199-S202 WeakPolarHBondContact O-CB 3.37Å; E199-S202 PolarHBondContact O-N 3.09Å; E199-S202 PolarHBondContact O-OG 3.09Å; S202-Y230 WeakPolarHBondContact O-CD1 3.36Å |
| 203 | C | 91.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 31.8 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | D201 Y205 N206 C209 C220 Y230 | D201-C203 PolarHBondContact O-N 3.44Å; D201-C203 VanDerWaalsContact O-N 3.14Å; C203-Y205 PolarHBondContact O-N 3.29Å; C203-N206 PolarHBondContact O-N 2.79Å; C203-C209 VanDerWaalsContact SG-CA 3.5Å; C203-C209 WeakPolarHBondContact SG-CB 3.29Å; C203-C220 WeakPolarHBondContact CA-SG 3.28Å; C203-C220 HydrophobicContact CB-CB 3.71Å; C203-C220 WeakPolarHBondContact CB-SG 3.35Å; C203-C220 WeakPolarHBondContact SG-CA 3.47Å; C203-C220 WeakPolarHBondContact SG-CB 3.47Å; C203-C220 CovalentContact SG-SG 2.03Å; C203-C220 PolarHBondContact SG-SG 2.91Å; C203-Y230 CarbonylContact C-O 3.53Å; C203-Y230 WeakPolarHBondContact CA-O 3.02Å |
| 204 | N | 88.8 | Confident | 86.8 | Confident | 48 Ų | 48 | 72.6 Ų | 72.6 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 24.8 | -177 | -75.2 | -68 | 0 | 0 | 0 | 114.8 | D201 N206 Y230 | D201-N204 WeakPolarHBondContact O-CA 3.31Å; D201-N204 PolarHBondContact O-N 3.17Å; N204-N206 PolarHBondContact O-N 3.35Å; N204-N206 PolarHBondContact O-ND2 2.78Å; N204-Y230 PolarHBondContact ND2-O 3.33Å |
| 205 | Y | 88.9 | Confident | 86.1 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 12.7 | -170 | -48.6 | -86.4 | 0 | 0 | 0 | 114.8 | D200 D201 C203 | D200-Y205 HydrophobicContact CB-CE1 3.72Å; D200-Y205 WeakPolarHBondContact O-CD1 3.5Å; D200-Y205 VanDerWaalsContact O-CE1 3.26Å; D200-Y205 WeakPolarHBondContact O-CE1 3.45Å; D201-Y205 HydrophobicContact CB-CD2 4.2Å; D201-Y205 HydrophobicContact CB-CE1 4.3Å; D201-Y205 HydrophobicContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CE2 3.43Å; D201-Y205 VanDerWaalsContact CB-CZ 3.49Å; C203-Y205 PolarHBondContact O-N 3.29Å |
| 206 | N | 91.5 | Very high | 85.7 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.134 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -111.9 | 18 | -174.8 | -62 | -37.9 | 0 | 0 | 0 | 112.6 | C203 N204 Y223 Y226 C231 I239 | C203-N206 PolarHBondContact O-N 2.79Å; N204-N206 PolarHBondContact O-N 3.35Å; N204-N206 PolarHBondContact O-ND2 2.78Å; N206-Y223 WeakPolarHBondContact O-CD2 3.33Å; N206-Y223 PolarHBondContact O-N 3.22Å; N206-Y226 HydrophobicContact CB-CD1 3.65Å; N206-Y226 HydrophobicContact CB-CD2 4.08Å; N206-Y226 HydrophobicContact CB-CE1 3.9Å; N206-Y226 HydrophobicContact CB-CE2 4.28Å; N206-Y226 HydrophobicContact CB-CG 3.75Å; N206-C231 HydrophobicContact CB-CB 3.75Å; N206-C231 PolarHBondContact ND2-O 2.9Å; N206-C231 VanDerWaalsContact ND2-O 3.17Å; N206-I239 WeakPolarHBondContact ND2-CD1 3.3Å |
| 207 | G | 91.2 | Very high | 85.5 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T221 | G207-T221 CarbonylContact C-O 3.5Å; G207-T221 WeakPolarHBondContact CA-O 3.37Å |
| 208 | V | 93.7 | Very high | 85.5 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.8 | 173.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | T221 Y223 | V208-T221 PolarHBondContact N-O 3.27Å; V208-T221 PolarHBondContact O-N 2.88Å; V208-Y223 HydrophobicContact CG2-CE1 4.09Å |
| 209 | C | 92.8 | Very high | 85.6 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.7 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | C198 C203 | C198-C209 WeakPolarHBondContact CA-SG 3.23Å; C198-C209 HydrophobicContact CB-CB 3.71Å; C198-C209 WeakPolarHBondContact CB-SG 3.45Å; C198-C209 WeakPolarHBondContact SG-CB 3.35Å; C198-C209 CovalentContact SG-SG 2.04Å; C198-C209 PolarHBondContact SG-SG 3.31Å; C203-C209 VanDerWaalsContact SG-CA 3.5Å; C203-C209 WeakPolarHBondContact SG-CB 3.29Å |
| 210 | R | 91.6 | Very high | 85.8 | Confident | 161 Ų | 161 | 54.7 Ų | 54.7 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.2 | 169.1 | -67.4 | -178.1 | 174.6 | 166.9 | -0.5 | 110.2 | C198 I218 E219 | C198-R210 PolarHBondContact SG-N 2.99Å; R210-I218 CarbonylContact O-C 3.5Å; R210-I218 WeakPolarHBondContact O-CA 3.37Å; R210-E219 PolarHBondContact N-O 2.93Å; R210-E219 PolarHBondContact O-N 2.86Å |
| 211 | E | 86.6 | Confident | 86.3 | Confident | 116 Ų | 116 | 51.4 Ų | 51.4 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.9 | 175.7 | -60.6 | 177.1 | 175.9 | 0 | 0 | 109.8 | V195 C198 | V195-E211 HydrophobicContact CG1-CB 4.25Å; C198-E211 PolarHBondContact N-OE1 2.81Å |
| 212 | N | 81.3 | Confident | 86.6 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 95.6 | 177.2 | -170.4 | -28.3 | 0 | 0 | 0 | 110.7 | E214 G216 M217 | N212-E214 PolarHBondContact O-N 3.09Å; N212-E214 WeakPolarHBondContact OD1-CA 3.25Å; N212-E214 WeakPolarHBondContact OD1-CB 3.38Å; N212-E214 PolarHBondContact OD1-N 3.48Å; N212-G216 PolarHBondContact O-N 3.22Å; N212-M217 CarbonylContact C-O 3.59Å; N212-M217 VanDerWaalsContact CA-O 3.29Å; N212-M217 WeakPolarHBondContact CA-O 3.27Å; N212-M217 HydrophobicContact CB-CG 4.38Å; N212-M217 VanDerWaalsContact CB-O 3.25Å; N212-M217 WeakPolarHBondContact CB-O 3.46Å; N212-M217 PolarHBondContact N-O 2.92Å; N212-M217 PolarHBondContact O-N 2.62Å |
| 213 | A | 75.7 | Confident | 86.7 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R141 G187 V195 | R141-A213 PolarHBondContact NH2-O 3.32Å; G187-A213 VanDerWaalsContact CA-O 3.23Å; G187-A213 WeakPolarHBondContact CA-O 3.3Å; V195-A213 HydrophobicContact CG2-CB 4.31Å |
| 214 | E | 70.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -43.5 | 178.2 | -168.3 | 164.5 | -170.9 | 0 | 0 | 111.7 | R141 G188 N212 | R141-E214 HydrophobicContact CG-CG 4.23Å; G188-E214 PolarHBondContact N-O 3.2Å; N212-E214 PolarHBondContact O-N 3.09Å; N212-E214 WeakPolarHBondContact OD1-CA 3.25Å; N212-E214 WeakPolarHBondContact OD1-CB 3.38Å; N212-E214 PolarHBondContact OD1-N 3.48Å |
| 215 | Y | 71.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 6% | 0.059 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -9.5 | -178 | -54.2 | -73.2 | 0 | 0 | 0 | 114 | F138 C139 R140 R193 M217 | F138-Y215 HydrophobicContact CB-CD1 3.83Å; F138-Y215 HydrophobicContact CB-CE1 4.3Å; F138-Y215 HydrophobicContact CB-CG 4.49Å; C139-Y215 WeakPolarHBondContact O-CE1 3.49Å; R140-Y215 HydrophobicContact CG-CE1 4.33Å; R140-Y215 WeakPolarHBondContact CG-OH 3.48Å; R193-Y215 PolarHBondContact NH1-O 3.21Å; Y215-M217 HydrophobicContact CD2-SD 4.5Å; Y215-M217 HydrophobicContact CG-SD 4.4Å |
| 216 | G | 74.8 | Confident | 86.6 | Confident | 6 Ų | 6 | 61 Ų | 61 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 32.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | N212 | N212-G216 PolarHBondContact O-N 3.22Š|
| 217 | M | 80.1 | Confident | 86.5 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 166.8 | -174.5 | 68.1 | -168.7 | -72.4 | 0 | 0 | 111.4 | N212 Y215 E229 | N212-M217 CarbonylContact C-O 3.59Å; N212-M217 VanDerWaalsContact CA-O 3.29Å; N212-M217 WeakPolarHBondContact CA-O 3.27Å; N212-M217 HydrophobicContact CB-CG 4.38Å; N212-M217 VanDerWaalsContact CB-O 3.25Å; N212-M217 WeakPolarHBondContact CB-O 3.46Å; N212-M217 PolarHBondContact N-O 2.92Å; N212-M217 PolarHBondContact O-N 2.62Å; Y215-M217 HydrophobicContact CD2-SD 4.5Å; Y215-M217 HydrophobicContact CG-SD 4.4Å; M217-E229 WeakPolarHBondContact CE-OE1 3.33Å |
| 218 | I | 87.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.046 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 154.4 | 167 | 58.9 | 167.7 | 0 | 0 | 0 | 110.9 | Q196 R210 Y230 | Q196-I218 HydrophobicContact CB-CG2 3.93Å; Q196-I218 VanDerWaalsContact O-CG2 3.26Å; Q196-I218 WeakPolarHBondContact O-CG2 3.48Å; R210-I218 CarbonylContact O-C 3.5Å; R210-I218 WeakPolarHBondContact O-CA 3.37Å; I218-Y230 HydrophobicContact CD1-CD1 4.07Å; I218-Y230 HydrophobicContact CD1-CE1 3.87Å; I218-Y230 HydrophobicContact CG1-CE1 4.05Å |
| 219 | E | 89.4 | Confident | 85.8 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.7 | 173.1 | -176.6 | 177.5 | -173.5 | 0 | 0 | 109 | R210 | R210-E219 PolarHBondContact N-O 2.93Å; R210-E219 PolarHBondContact O-N 2.86Å |
| 220 | C | 92.1 | Very high | 85.7 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.9 | 179.3 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | C203 E229 | C203-C220 WeakPolarHBondContact CA-SG 3.28Å; C203-C220 HydrophobicContact CB-CB 3.71Å; C203-C220 WeakPolarHBondContact CB-SG 3.35Å; C203-C220 WeakPolarHBondContact SG-CA 3.47Å; C203-C220 WeakPolarHBondContact SG-CB 3.47Å; C203-C220 CovalentContact SG-SG 2.03Å; C203-C220 PolarHBondContact SG-SG 2.91Å; C220-E229 VanDerWaalsContact CB-O 3.26Å; C220-E229 WeakPolarHBondContact CB-O 3.36Å |
| 221 | T | 94.8 | Very high | 85.7 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 102.2 | 167.1 | -52.8 | 0 | 0 | 0 | 0 | 109.1 | G207 V208 | G207-T221 CarbonylContact C-O 3.5Å; G207-T221 WeakPolarHBondContact CA-O 3.37Å; V208-T221 PolarHBondContact N-O 3.27Å; V208-T221 PolarHBondContact O-N 2.88Å |
| 222 | C | 93.2 | Very high | 85.8 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 144.6 | -175.1 | -55 | 0 | 0 | 0 | 0 | 113.1 | G228 C231 | C222-G228 PolarHBondContact SG-O 2.93Å; C222-G228 VanDerWaalsContact SG-O 3.39Å; C222-C231 WeakPolarHBondContact CA-SG 3.38Å; C222-C231 HydrophobicContact CB-CB 3.85Å; C222-C231 WeakPolarHBondContact CB-SG 3.35Å; C222-C231 WeakPolarHBondContact SG-CA 3.37Å; C222-C231 WeakPolarHBondContact SG-CB 3.48Å; C222-C231 CovalentContact SG-SG 2.05Å; C222-C231 PolarHBondContact SG-SG 2.73Å |
| 223 | Y | 93.4 | Very high | 86.1 | Confident | 128 Ų | 128 | 60.3 Ų | 60.3 | 50% | 0.502 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 168.1 | 170.3 | -61.8 | -48.8 | 0 | 0 | 0 | 111.4 | N206 V208 S225 Y226 | N206-Y223 WeakPolarHBondContact O-CD2 3.33Å; N206-Y223 PolarHBondContact O-N 3.22Å; V208-Y223 HydrophobicContact CG2-CE1 4.09Å; Y223-S225 PolarHBondContact O-N 2.77Å; Y223-Y226 WeakPolarHBondContact O-CB 3.25Å; Y223-Y226 PolarHBondContact O-N 2.92Å |
| 224 | E | 90.1 | Very high | 86.6 | Confident | 178 Ų | 178 | 62.5 Ų | 62.5 | 83% | 0.832 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 137.6 | 179 | -66.9 | -175.2 | 173 | 0 | 0 | 112.3 | Y226 | E224-Y226 WeakPolarHBondContact O-CD2 3.49Å; E224-Y226 PolarHBondContact O-N 2.86Å |
| 225 | S | 86.5 | Confident | 87 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -5.1 | -176.3 | -38 | 0 | 0 | 0 | 0 | 116.3 | Y223 K234 D235 | Y223-S225 PolarHBondContact O-N 2.77Å; S225-K234 WeakPolarHBondContact O-CA 3.22Å; S225-D235 PolarHBondContact O-N 2.81Å |
| 226 | Y | 91 | Very high | 87 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 24% | 0.239 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 147.6 | 175.1 | -64.4 | -82.9 | 0 | 0 | 0 | 112.2 | N206 Y223 E224 K233 K234 I239 | N206-Y226 HydrophobicContact CB-CD1 3.65Å; N206-Y226 HydrophobicContact CB-CD2 4.08Å; N206-Y226 HydrophobicContact CB-CE1 3.9Å; N206-Y226 HydrophobicContact CB-CE2 4.28Å; N206-Y226 HydrophobicContact CB-CG 3.75Å; Y223-Y226 WeakPolarHBondContact O-CB 3.25Å; Y223-Y226 PolarHBondContact O-N 2.92Å; E224-Y226 WeakPolarHBondContact O-CD2 3.49Å; E224-Y226 PolarHBondContact O-N 2.86Å; Y226-K233 CarbonylContact C-O 3.57Å; Y226-K233 VanDerWaalsContact CA-O 3.25Å; Y226-K233 WeakPolarHBondContact CA-O 3.28Å; Y226-K234 HydrophobicContact CD1-CB 4.09Å; Y226-K234 HydrophobicContact CD1-CG 4.42Å; Y226-K234 HydrophobicContact CE1-CB 4.04Å; Y226-K234 HydrophobicContact CE1-CD 4.08Å; Y226-K234 HydrophobicContact CE1-CG 4.22Å; Y226-I239 HydrophobicContact CD1-CD1 3.74Å; Y226-I239 HydrophobicContact CE1-CD1 3.6Å |
| 227 | Q | 88.3 | Confident | 87.1 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 168.9 | -176.1 | -59.7 | 178.8 | 15.9 | 0 | 0 | 110.5 | C231 D232 K233 | Q227-C231 CarbonylContact O-C 3.28Å; Q227-C231 WeakPolarHBondContact O-CA 3.19Å; Q227-D232 PolarHBondContact O-N 3.14Å; Q227-K233 HydrophobicContact CB-CB 4.27Å; Q227-K233 PolarHBondContact N-O 2.62Å; Q227-K233 WeakPolarHBondContact O-CB 3.38Å; Q227-K233 PolarHBondContact O-N 3.42Å |
| 228 | G | 85 | Confident | 87 | Confident | 34 Ų | 34 | 78 Ų | 78 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 96.9 | 159.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | C222 Y230 C231 | C222-G228 PolarHBondContact SG-O 2.93Å; C222-G228 VanDerWaalsContact SG-O 3.39Å; G228-Y230 PolarHBondContact O-N 3.39Å; G228-C231 PolarHBondContact O-N 2.78Å; G228-C231 VanDerWaalsContact O-N 3.15Å |
| 229 | E | 85.8 | Confident | 86.4 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.5 | -178 | -174.2 | 175.4 | -177.5 | 0 | 0 | 112.7 | M217 C220 | M217-E229 WeakPolarHBondContact CE-OE1 3.33Å; C220-E229 VanDerWaalsContact CB-O 3.26Å; C220-E229 WeakPolarHBondContact CB-O 3.36Å |
| 230 | Y | 90 | Very high | 85.3 | Confident | 89 Ų | 89 | 82 Ų | 82 | 35% | 0.349 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 17.1 | 178.7 | -58.2 | -76.9 | 0 | 0 | 0 | 112.7 | S202 C203 N204 I218 G228 D232 | S202-Y230 WeakPolarHBondContact O-CD1 3.36Å; C203-Y230 CarbonylContact C-O 3.53Å; C203-Y230 WeakPolarHBondContact CA-O 3.02Å; N204-Y230 PolarHBondContact ND2-O 3.33Å; I218-Y230 HydrophobicContact CD1-CD1 4.07Å; I218-Y230 HydrophobicContact CD1-CE1 3.87Å; I218-Y230 HydrophobicContact CG1-CE1 4.05Å; G228-Y230 PolarHBondContact O-N 3.39Å; Y230-D232 PolarHBondContact O-N 3.08Å |
| 231 | C | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 43% | 0.434 | C | S | . | . | S | Bend | trans | 54.1 | 40 | -176.9 | -46.7 | 0 | 0 | 0 | 0 | 113.3 | N206 C222 Q227 G228 | N206-C231 HydrophobicContact CB-CB 3.75Å; N206-C231 PolarHBondContact ND2-O 2.9Å; N206-C231 VanDerWaalsContact ND2-O 3.17Å; C222-C231 WeakPolarHBondContact CA-SG 3.38Å; C222-C231 HydrophobicContact CB-CB 3.85Å; C222-C231 WeakPolarHBondContact CB-SG 3.35Å; C222-C231 WeakPolarHBondContact SG-CA 3.37Å; C222-C231 WeakPolarHBondContact SG-CB 3.48Å; C222-C231 CovalentContact SG-SG 2.05Å; C222-C231 PolarHBondContact SG-SG 2.73Å; Q227-C231 CarbonylContact O-C 3.28Å; Q227-C231 WeakPolarHBondContact O-CA 3.19Å; G228-C231 PolarHBondContact O-N 2.78Å; G228-C231 VanDerWaalsContact O-N 3.15Å |
| 232 | D | 88.5 | Confident | 81.9 | Confident | 43 Ų | 43 | 89.6 Ų | 89.6 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | trans | -91.6 | -2.6 | -175.5 | 68.3 | -40.4 | 0 | 0 | 0 | 112.9 | Q227 Y230 L238 I239 | Q227-D232 PolarHBondContact O-N 3.14Å; Y230-D232 PolarHBondContact O-N 3.08Å; D232-L238 WeakPolarHBondContact OD2-CD1 3.48Å; D232-I239 WeakPolarHBondContact O-CB 2.98Å; D232-I239 WeakPolarHBondContact O-CG1 3.5Å; D232-I239 PolarHBondContact O-N 3.14Å | ||
| 233 | K | 88.2 | Confident | 80.3 | Confident | 76 Ų | 76 | 93.9 Ų | 93.9 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.8 | 179.7 | -63.2 | 169.7 | -171.1 | 175.8 | 0 | 110.8 | Y226 Q227 K237 L238 | Y226-K233 CarbonylContact C-O 3.57Å; Y226-K233 VanDerWaalsContact CA-O 3.25Å; Y226-K233 WeakPolarHBondContact CA-O 3.28Å; Q227-K233 HydrophobicContact CB-CB 4.27Å; Q227-K233 PolarHBondContact N-O 2.62Å; Q227-K233 WeakPolarHBondContact O-CB 3.38Å; Q227-K233 PolarHBondContact O-N 3.42Å; K233-K237 CarbonylContact C-O 3.49Å; K233-K237 WeakPolarHBondContact CA-O 3.34Å; K233-L238 HydrophobicContact CG-CD1 4.13Å |
| 234 | K | 85.9 | Confident | 78.4 | Confident | 95 Ų | 95 | 93.5 Ų | 93.5 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.4 | 169.4 | -173 | 179.6 | 177.8 | 176.5 | 0 | 108.7 | S225 Y226 G236 K237 I239 | S225-K234 WeakPolarHBondContact O-CA 3.22Å; Y226-K234 HydrophobicContact CD1-CB 4.09Å; Y226-K234 HydrophobicContact CD1-CG 4.42Å; Y226-K234 HydrophobicContact CE1-CB 4.04Å; Y226-K234 HydrophobicContact CE1-CD 4.08Å; Y226-K234 HydrophobicContact CE1-CG 4.22Å; K234-G236 PolarHBondContact O-N 3.18Å; K234-G236 VanDerWaalsContact O-N 3.16Å; K234-K237 PolarHBondContact N-O 3.37Å; K234-K237 PolarHBondContact O-N 2.88Å; K234-I239 HydrophobicContact CB-CD1 4.44Å; K234-I239 HydrophobicContact CB-CG1 4.16Å |
| 235 | D | 79.5 | Confident | 77.1 | Confident | 119 Ų | 119 | 89 Ų | 89 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37 | -176.8 | -53.1 | -48.1 | 0 | 0 | 0 | 113.1 | S225 K237 | S225-D235 PolarHBondContact O-N 2.81Å; D235-K237 PolarHBondContact O-N 2.88Å |
| 236 | G | 71.2 | Confident | 76.2 | Confident | 41 Ų | 41 | 88.9 Ų | 88.9 | 42% | 0.423 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -1.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K234 | K234-G236 PolarHBondContact O-N 3.18Å; K234-G236 VanDerWaalsContact O-N 3.16Å |
| 237 | K | 77.6 | Confident | 75.3 | Confident | 164 Ų | 164 | 91.1 Ų | 91.1 | 71% | 0.713 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.2 | 174.8 | -66.3 | -178.9 | -178.5 | 177.1 | 0 | 110.3 | K233 K234 D235 I239 | K233-K237 CarbonylContact C-O 3.49Å; K233-K237 WeakPolarHBondContact CA-O 3.34Å; K234-K237 PolarHBondContact N-O 3.37Å; K234-K237 PolarHBondContact O-N 2.88Å; D235-K237 PolarHBondContact O-N 2.88Å; K237-I239 PolarHBondContact O-N 2.85Å |
| 238 | L | 78.7 | Confident | 74.6 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 134.4 | 171.6 | -146.4 | 89 | 0 | 0 | 0 | 108.5 | D232 K233 E240 | D232-L238 WeakPolarHBondContact OD2-CD1 3.48Å; K233-L238 HydrophobicContact CG-CD1 4.13Å; L238-E240 PolarHBondContact O-N 2.89Å |
| 239 | I | 74.5 | Confident | 74 | Confident | 62 Ų | 62 | 90.5 Ų | 90.5 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | trans | -73.3 | 79.3 | 167.7 | -55 | 165.5 | 0 | 0 | 0 | 105.1 | N206 Y226 D232 K234 K237 R241 | N206-I239 WeakPolarHBondContact ND2-CD1 3.3Å; Y226-I239 HydrophobicContact CD1-CD1 3.74Å; Y226-I239 HydrophobicContact CE1-CD1 3.6Å; D232-I239 WeakPolarHBondContact O-CB 2.98Å; D232-I239 WeakPolarHBondContact O-CG1 3.5Å; D232-I239 PolarHBondContact O-N 3.14Å; K234-I239 HydrophobicContact CB-CD1 4.44Å; K234-I239 HydrophobicContact CB-CG1 4.16Å; K237-I239 PolarHBondContact O-N 2.85Å; I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.23Å | ||
| 240 | E | 65.4 | Low | 73.6 | Confident | 139 Ų | 139 | 89.8 Ų | 89.8 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | trans | -58.6 | 108.7 | 160.9 | -82.4 | -169.7 | 152.3 | 0 | 0 | 105.4 | L238 L242 | L238-E240 PolarHBondContact O-N 2.89Å; E240-L242 HydrophobicContact CB-CD1 3.68Å; E240-L242 HydrophobicContact CB-CG 4.45Å; E240-L242 PolarHBondContact O-N 3.4Å | ||
| 241 | R | 61.6 | Low | 73.3 | Confident | 138 Ų | 138 | 89.6 Ų | 89.6 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | trans | -64.8 | 78.8 | 155.6 | -68.4 | -167.3 | -177 | -176.3 | 5.6 | 105.4 | I239 I243 | I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.23Å; R241-I243 PolarHBondContact O-N 2.79Å | ||
| 242 | L | 54.4 | Low | 72.8 | Confident | 115 Ų | 115 | 94.8 Ų | 94.8 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | trans | -57.2 | 102 | 162.2 | -84 | 100.8 | 0 | 0 | 0 | 104.4 | E240 N244 | E240-L242 HydrophobicContact CB-CD1 3.68Å; E240-L242 HydrophobicContact CB-CG 4.45Å; E240-L242 PolarHBondContact O-N 3.4Å; L242-N244 PolarHBondContact O-N 3.27Å | ||
| 243 | I | 60.4 | Low | 72.5 | Confident | 127 Ų | 127 | 96.8 Ų | 96.8 | 65% | 0.651 | 52% | 0.52 | S | S | * | . | trans | -64.2 | 86.5 | 157.1 | -58 | 172.7 | 0 | 0 | 0 | 103.1 | R241 P245 | R241-I243 PolarHBondContact O-N 2.79Å; I243-P245 VanDerWaalsContact O-CD 3.26Å; I243-P245 WeakPolarHBondContact O-CD 3.47Å | ||
| 244 | N | 53 | Low | 72.5 | Confident | 119 Ų | 119 | 96.9 Ų | 96.9 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | trans | -57.1 | 116.5 | 171 | -86.5 | -24.8 | 0 | 0 | 0 | 105.2 | L242 T246 | L242-N244 PolarHBondContact O-N 3.27Å; N244-T246 PolarHBondContact O-N 2.76Å | ||
| 245 | P | 61.7 | Low | 72.7 | Confident | 83 Ų | 83 | 95.7 Ų | 95.7 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | trans | -66.5 | 114.9 | -177.8 | 30.4 | -34.8 | 0 | 0 | 0 | 105.6 | I243 V250 | I243-P245 VanDerWaalsContact O-CD 3.26Å; I243-P245 WeakPolarHBondContact O-CD 3.47Å; P245-V250 HydrophobicContact CB-CG2 3.57Å; P245-V250 HydrophobicContact CG-CG2 3.95Å | ||
| 246 | T | 67.6 | Low | 73.1 | Confident | 66 Ų | 66 | 92 Ų | 92 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | trans | -60.5 | 150.3 | 171.1 | 60.2 | 0 | 0 | 0 | 0 | 107.7 | N244 S248 N249 V250 | N244-T246 PolarHBondContact O-N 2.76Å; T246-S248 PolarHBondContact O-N 2.97Å; T246-N249 WeakPolarHBondContact O-CA 3.26Å; T246-N249 WeakPolarHBondContact O-CB 3.43Å; T246-N249 PolarHBondContact O-N 3.18Å; T246-N249 PolarHBondContact OG1-N 2.54Å; T246-N249 PolarHBondContact OG1-ND2 3.04Å; T246-N249 PolarHBondContact OG1-OD1 2.97Å; T246-V250 PolarHBondContact O-N 3.14Å; T246-V250 VanDerWaalsContact O-N 3.09Å | ||
| 247 | P | 72.3 | Confident | 74.1 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -49.7 | -35.7 | 178.1 | -26.2 | 32.5 | 0 | 0 | 0 | 112.1 | V250 V251 | P247-V250 PolarHBondContact O-N 3.24Å; P247-V251 VanDerWaalsContact O-CG2 3.23Å; P247-V251 WeakPolarHBondContact O-CG2 3.44Å; P247-V251 PolarHBondContact O-N 2.69Å |
| 248 | S | 73.2 | Confident | 74.8 | Confident | 76 Ų | 76 | 93.4 Ų | 93.4 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175.2 | -43.2 | 0 | 0 | 0 | 0 | 113.5 | T246 V251 N252 | T246-S248 PolarHBondContact O-N 2.97Å; S248-V251 PolarHBondContact O-N 3.25Å; S248-N252 WeakPolarHBondContact O-CB 3.32Å; S248-N252 PolarHBondContact O-N 3.03Å; S248-N252 PolarHBondContact O-ND2 3.38Å |
| 249 | N | 74 | Confident | 75.5 | Confident | 51 Ų | 51 | 93.1 Ų | 93.1 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 179 | -65.6 | -9.3 | 0 | 0 | 0 | 111 | T246 N252 V253 | T246-N249 WeakPolarHBondContact O-CA 3.26Å; T246-N249 WeakPolarHBondContact O-CB 3.43Å; T246-N249 PolarHBondContact O-N 3.18Å; T246-N249 PolarHBondContact OG1-N 2.54Å; T246-N249 PolarHBondContact OG1-ND2 3.04Å; T246-N249 PolarHBondContact OG1-OD1 2.97Å; N249-N252 PolarHBondContact O-N 3.35Å; N249-V253 VanDerWaalsContact O-CG2 3.28Å; N249-V253 WeakPolarHBondContact O-CG2 3.47Å; N249-V253 PolarHBondContact O-N 3.22Å |
| 250 | V | 77.1 | Confident | 76.3 | Confident | 67 Ų | 67 | 91.5 Ų | 91.5 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | P245 T246 P247 N252 V253 V254 | P245-V250 HydrophobicContact CB-CG2 3.57Å; P245-V250 HydrophobicContact CG-CG2 3.95Å; T246-V250 PolarHBondContact O-N 3.14Å; T246-V250 VanDerWaalsContact O-N 3.09Å; P247-V250 PolarHBondContact O-N 3.24Å; V250-N252 VanDerWaalsContact C-N 3.32Å; V250-N252 PolarHBondContact O-N 2.94Å; V250-V253 PolarHBondContact O-N 3.29Å; V250-V254 HydrophobicContact CG1-CG2 4.2Å; V250-V254 WeakPolarHBondContact O-CB 3.39Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.49Å; V250-V254 PolarHBondContact O-N 2.97Å |
| 251 | V | 82.3 | Confident | 77.4 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | P247 S248 V253 V254 V255 | P247-V251 VanDerWaalsContact O-CG2 3.23Å; P247-V251 WeakPolarHBondContact O-CG2 3.44Å; P247-V251 PolarHBondContact O-N 2.69Å; S248-V251 PolarHBondContact O-N 3.25Å; V251-V253 PolarHBondContact O-N 3.4Å; V251-V254 PolarHBondContact O-N 3.35Å; V251-V255 HydrophobicContact CG1-CG2 4.09Å; V251-V255 VanDerWaalsContact O-CB 3.32Å; V251-V255 WeakPolarHBondContact O-CB 3.5Å; V251-V255 WeakPolarHBondContact O-CG2 3.28Å; V251-V255 PolarHBondContact O-N 3.14Å |
| 252 | N | 81.6 | Confident | 78.8 | Confident | 109 Ų | 109 | 89.7 Ų | 89.7 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 179 | -71.2 | -21.6 | 0 | 0 | 0 | 112.9 | S248 N249 V250 G256 | S248-N252 WeakPolarHBondContact O-CB 3.32Å; S248-N252 PolarHBondContact O-N 3.03Å; S248-N252 PolarHBondContact O-ND2 3.38Å; N249-N252 PolarHBondContact O-N 3.35Å; V250-N252 VanDerWaalsContact C-N 3.32Å; V250-N252 PolarHBondContact O-N 2.94Å; N252-G256 PolarHBondContact O-N 3Å |
| 253 | V | 83.1 | Confident | 80.4 | Confident | 85 Ų | 85 | 89.9 Ų | 89.9 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | N249 V250 V251 G256 F257 | N249-V253 VanDerWaalsContact O-CG2 3.28Å; N249-V253 WeakPolarHBondContact O-CG2 3.47Å; N249-V253 PolarHBondContact O-N 3.22Å; V250-V253 PolarHBondContact O-N 3.29Å; V251-V253 PolarHBondContact O-N 3.4Å; V253-G256 PolarHBondContact O-N 3.21Å; V253-F257 HydrophobicContact CG1-CD2 3.66Å; V253-F257 HydrophobicContact CG1-CE2 3.58Å; V253-F257 VanDerWaalsContact O-CD2 3.24Å; V253-F257 WeakPolarHBondContact O-CD2 3.48Å; V253-F257 PolarHBondContact O-N 3.19Å |
| 254 | V | 88.1 | Confident | 81.7 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 111 | V250 V251 G256 F257 V258 | V250-V254 HydrophobicContact CG1-CG2 4.2Å; V250-V254 WeakPolarHBondContact O-CB 3.39Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.49Å; V250-V254 PolarHBondContact O-N 2.97Å; V251-V254 PolarHBondContact O-N 3.35Å; V254-G256 VanDerWaalsContact C-N 3.29Å; V254-G256 PolarHBondContact O-N 3.02Å; V254-F257 PolarHBondContact O-N 3.44Å; V254-V258 HydrophobicContact CG1-CG2 4.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.28Å; V254-V258 PolarHBondContact O-N 3.24Å |
| 255 | V | 89.8 | Confident | 83.2 | Confident | 70 Ų | 70 | 86 Ų | 86 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | V251 V258 L259 | V251-V255 HydrophobicContact CG1-CG2 4.09Å; V251-V255 VanDerWaalsContact O-CB 3.32Å; V251-V255 WeakPolarHBondContact O-CB 3.5Å; V251-V255 WeakPolarHBondContact O-CG2 3.28Å; V251-V255 PolarHBondContact O-N 3.14Å; V255-V258 PolarHBondContact O-N 3.19Å; V255-L259 HydrophobicContact CG1-CD1 3.74Å; V255-L259 HydrophobicContact CG1-CG 4.21Å; V255-L259 WeakPolarHBondContact O-CB 3.34Å; V255-L259 VanDerWaalsContact O-CG 3.24Å; V255-L259 WeakPolarHBondContact O-CG 3.24Å; V255-L259 PolarHBondContact O-N 3.09Å |
| 256 | G | 87.4 | Confident | 84.3 | Confident | 41 Ų | 41 | 87.8 Ų | 87.8 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N252 V253 V254 G260 | N252-G256 PolarHBondContact O-N 3Å; V253-G256 PolarHBondContact O-N 3.21Å; V254-G256 VanDerWaalsContact C-N 3.29Å; V254-G256 PolarHBondContact O-N 3.02Å; G256-G260 PolarHBondContact O-N 3.36Å |
| 257 | F | 91.3 | Very high | 85.1 | Confident | 157 Ų | 157 | 88 Ų | 88 | 69% | 0.689 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 175.6 | -85.7 | -70.2 | 0 | 0 | 0 | 112.3 | V253 V254 G260 F261 | V253-F257 HydrophobicContact CG1-CD2 3.66Å; V253-F257 HydrophobicContact CG1-CE2 3.58Å; V253-F257 VanDerWaalsContact O-CD2 3.24Å; V253-F257 WeakPolarHBondContact O-CD2 3.48Å; V253-F257 PolarHBondContact O-N 3.19Å; V254-F257 PolarHBondContact O-N 3.44Å; F257-G260 PolarHBondContact O-N 2.84Å; F257-F261 WeakPolarHBondContact O-CB 3.49Å; F257-F261 PolarHBondContact O-N 3.42Å |
| 258 | V | 93.5 | Very high | 85.4 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V254 V255 F261 L262 | V254-V258 HydrophobicContact CG1-CG2 4.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.28Å; V254-V258 PolarHBondContact O-N 3.24Å; V255-V258 PolarHBondContact O-N 3.19Å; V258-F261 PolarHBondContact O-N 3.2Å; V258-L262 HydrophobicContact CG1-CD1 3.98Å; V258-L262 WeakPolarHBondContact O-CB 3.23Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 2.89Å |
| 259 | L | 92.7 | Very high | 85.2 | Confident | 102 Ų | 102 | 87.9 Ų | 87.9 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 176.2 | -69.2 | 175.6 | 0 | 0 | 0 | 111.7 | V255 L262 M263 | V255-L259 HydrophobicContact CG1-CD1 3.74Å; V255-L259 HydrophobicContact CG1-CG 4.21Å; V255-L259 WeakPolarHBondContact O-CB 3.34Å; V255-L259 VanDerWaalsContact O-CG 3.24Å; V255-L259 WeakPolarHBondContact O-CG 3.24Å; V255-L259 PolarHBondContact O-N 3.09Å; L259-L262 PolarHBondContact O-N 3.23Å; L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.24Å; L259-M263 WeakPolarHBondContact O-CG 3.29Å; L259-M263 PolarHBondContact O-N 2.9Å |
| 260 | G | 90.9 | Very high | 84.8 | Confident | 27 Ų | 27 | 87.4 Ų | 87.4 | 28% | 0.278 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G256 F257 M263 L264 | G256-G260 PolarHBondContact O-N 3.36Å; F257-G260 PolarHBondContact O-N 2.84Å; G260-M263 PolarHBondContact O-N 3.16Å; G260-L264 WeakPolarHBondContact O-CB 3.24Å; G260-L264 VanDerWaalsContact O-CG 3.28Å; G260-L264 WeakPolarHBondContact O-CG 3.17Å; G260-L264 PolarHBondContact O-N 3.01Å |
| 261 | F | 90.1 | Very high | 84.2 | Confident | 147 Ų | 147 | 86.9 Ų | 86.9 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.4 | -40.6 | 177.6 | -151 | -90.9 | 0 | 0 | 0 | 112.1 | F257 V258 L264 T265 | F257-F261 WeakPolarHBondContact O-CB 3.49Å; F257-F261 PolarHBondContact O-N 3.42Å; V258-F261 PolarHBondContact O-N 3.2Å; F261-L264 PolarHBondContact O-N 3.45Å; F261-T265 HydrophobicContact CD1-CG2 3.91Å; F261-T265 HydrophobicContact CE1-CG2 3.92Å; F261-T265 WeakPolarHBondContact O-CB 3.32Å; F261-T265 VanDerWaalsContact O-CG2 3.29Å; F261-T265 WeakPolarHBondContact O-CG2 3.08Å; F261-T265 PolarHBondContact O-N 3.26Å; F261-T265 PolarHBondContact O-OG1 3.47Å |
| 262 | L | 90 | Very high | 83.3 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 172.1 | -74.1 | 170.1 | 0 | 0 | 0 | 111.7 | V258 L259 T265 L266 | V258-L262 HydrophobicContact CG1-CD1 3.98Å; V258-L262 WeakPolarHBondContact O-CB 3.23Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.28Å; V258-L262 PolarHBondContact O-N 2.89Å; L259-L262 PolarHBondContact O-N 3.23Å; L262-T265 WeakPolarHBondContact CA-OG1 3.46Å; L262-T265 PolarHBondContact O-N 3.02Å; L262-T265 PolarHBondContact O-OG1 3.47Å; L262-L266 WeakPolarHBondContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.29Å; L262-L266 PolarHBondContact O-N 3.36Å |
| 263 | M | 88.7 | Confident | 82.6 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 176.7 | -74.7 | -64.6 | -70.7 | 0 | 0 | 112.4 | L259 G260 L266 C267 | L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.24Å; L259-M263 WeakPolarHBondContact O-CG 3.29Å; L259-M263 PolarHBondContact O-N 2.9Å; G260-M263 PolarHBondContact O-N 3.16Å; M263-L266 PolarHBondContact O-N 3.34Å; M263-C267 VanDerWaalsContact O-CB 3.32Å; M263-C267 WeakPolarHBondContact O-CB 3.46Å; M263-C267 PolarHBondContact O-N 3.23Å; M263-C267 PolarHBondContact O-SG 3.39Å |
| 264 | L | 86.6 | Confident | 81.5 | Confident | 93 Ų | 93 | 85.5 Ų | 85.5 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 175.8 | -73.2 | 165.6 | 0 | 0 | 0 | 110.8 | G260 F261 L266 C267 F268 | G260-L264 WeakPolarHBondContact O-CB 3.24Å; G260-L264 VanDerWaalsContact O-CG 3.28Å; G260-L264 WeakPolarHBondContact O-CG 3.17Å; G260-L264 PolarHBondContact O-N 3.01Å; F261-L264 PolarHBondContact O-N 3.45Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-L266 PolarHBondContact O-N 3.4Å; L264-C267 PolarHBondContact O-N 3.01Å; L264-F268 HydrophobicContact CB-CD2 4.17Å; L264-F268 HydrophobicContact CB-CE2 4.19Å; L264-F268 HydrophobicContact CD2-CD2 4.42Å; L264-F268 HydrophobicContact CD2-CE2 3.67Å; L264-F268 WeakPolarHBondContact O-CB 3.3Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 2.85Å |
| 265 | T | 85.2 | Confident | 80.1 | Confident | 71 Ų | 71 | 86.7 Ų | 86.7 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 177.4 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | F261 L262 G269 | F261-T265 HydrophobicContact CD1-CG2 3.91Å; F261-T265 HydrophobicContact CE1-CG2 3.92Å; F261-T265 WeakPolarHBondContact O-CB 3.32Å; F261-T265 VanDerWaalsContact O-CG2 3.29Å; F261-T265 WeakPolarHBondContact O-CG2 3.08Å; F261-T265 PolarHBondContact O-N 3.26Å; F261-T265 PolarHBondContact O-OG1 3.47Å; L262-T265 WeakPolarHBondContact CA-OG1 3.46Å; L262-T265 PolarHBondContact O-N 3.02Å; L262-T265 PolarHBondContact O-OG1 3.47Å; T265-G269 WeakPolarHBondContact O-CA 3.38Å; T265-G269 PolarHBondContact O-N 3.37Å |
| 266 | L | 84.5 | Confident | 78.7 | Confident | 122 Ų | 122 | 93.2 Ų | 93.2 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.7 | -41.1 | 173.3 | -73 | 170.2 | 0 | 0 | 0 | 112.4 | L262 M263 L264 G270 | L262-L266 WeakPolarHBondContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.29Å; L262-L266 PolarHBondContact O-N 3.36Å; M263-L266 PolarHBondContact O-N 3.34Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-L266 PolarHBondContact O-N 3.4Å; L266-G270 PolarHBondContact O-N 3.36Å |
| 267 | C | 84.8 | Confident | 77.3 | Confident | 71 Ų | 71 | 100.6 Ų | 100.6 | 48% | 0.48 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 178.4 | -77.7 | 0 | 0 | 0 | 0 | 112.5 | M263 L264 A271 | M263-C267 VanDerWaalsContact O-CB 3.32Å; M263-C267 WeakPolarHBondContact O-CB 3.46Å; M263-C267 PolarHBondContact O-N 3.23Å; M263-C267 PolarHBondContact O-SG 3.39Å; L264-C267 PolarHBondContact O-N 3.01Å; C267-A271 WeakPolarHBondContact O-CB 3.24Å; C267-A271 PolarHBondContact O-N 2.85Å |
| 268 | F | 77.9 | Confident | 75.5 | Confident | 145 Ų | 145 | 101.5 Ų | 101.5 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75 | -36.4 | 178.6 | -70.7 | -65.6 | 0 | 0 | 0 | 112.5 | L264 A271 A272 | L264-F268 HydrophobicContact CB-CD2 4.17Å; L264-F268 HydrophobicContact CB-CE2 4.19Å; L264-F268 HydrophobicContact CD2-CD2 4.42Å; L264-F268 HydrophobicContact CD2-CE2 3.67Å; L264-F268 WeakPolarHBondContact O-CB 3.3Å; L264-F268 WeakPolarHBondContact O-CD2 3.42Å; L264-F268 PolarHBondContact O-N 2.85Å; F268-A271 PolarHBondContact O-N 3.35Å; F268-A272 WeakPolarHBondContact O-CB 3.22Å; F268-A272 PolarHBondContact O-N 3.23Å |
| 269 | G | 69.5 | Low | 73.6 | Confident | 36 Ų | 36 | 107.4 Ų | 107.4 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | T265 A272 V273 | T265-G269 WeakPolarHBondContact O-CA 3.38Å; T265-G269 PolarHBondContact O-N 3.37Å; G269-A272 PolarHBondContact O-N 3.4Å; G269-V273 VanDerWaalsContact O-CG2 3.31Å; G269-V273 WeakPolarHBondContact O-CG2 3.32Å; G269-V273 PolarHBondContact O-N 2.89Å |
| 270 | G | 66.5 | Low | 71.9 | Confident | 41 Ų | 41 | 113.6 Ų | 113.6 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.2 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L266 V273 H274 | L266-G270 PolarHBondContact O-N 3.36Å; G270-V273 PolarHBondContact O-N 2.88Å; G270-H274 VanDerWaalsContact O-CB 3.31Å; G270-H274 WeakPolarHBondContact O-CB 3.33Å; G270-H274 PolarHBondContact O-N 2.82Å |
| 271 | A | 64.4 | Low | 70.1 | Confident | 55 Ų | 55 | 122.6 Ų | 122.6 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C267 F268 H274 H275 | C267-A271 WeakPolarHBondContact O-CB 3.24Å; C267-A271 PolarHBondContact O-N 2.85Å; F268-A271 PolarHBondContact O-N 3.35Å; A271-H274 PolarHBondContact O-N 2.89Å; A271-H275 VanDerWaalsContact O-CB 3.22Å; A271-H275 WeakPolarHBondContact O-CB 3.38Å; A271-H275 PolarHBondContact O-N 3.36Å |
| 272 | A | 62.2 | Low | 67.9 | Low | 57 Ų | 57 | 119.7 Ų | 119.7 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F268 G269 R276 | F268-A272 WeakPolarHBondContact O-CB 3.22Å; F268-A272 PolarHBondContact O-N 3.23Å; G269-A272 PolarHBondContact O-N 3.4Å; A272-R276 PolarHBondContact O-N 2.88Å |
| 273 | V | 66.7 | Low | 65.7 | Low | 85 Ų | 85 | 119 Ų | 119 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -41.6 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | G269 G270 R276 R277 | G269-V273 VanDerWaalsContact O-CG2 3.31Å; G269-V273 WeakPolarHBondContact O-CG2 3.32Å; G269-V273 PolarHBondContact O-N 2.89Å; G270-V273 PolarHBondContact O-N 2.88Å; V273-R276 PolarHBondContact O-N 3.49Å; V273-R277 PolarHBondContact O-N 3.18Å |
| 274 | H | 60.8 | Low | 63.4 | Low | 107 Ų | 107 | 122.5 Ų | 122.5 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.7 | -38.6 | 176.5 | -172.3 | -99.3 | 0 | 0 | 0 | 112 | G270 A271 R277 R278 | G270-H274 VanDerWaalsContact O-CB 3.31Å; G270-H274 WeakPolarHBondContact O-CB 3.33Å; G270-H274 PolarHBondContact O-N 2.82Å; A271-H274 PolarHBondContact O-N 2.89Å; H274-R277 PolarHBondContact O-N 2.82Å; H274-R278 PolarHBondContact CE1-NE 3.46Å; H274-R278 PolarHBondContact O-N 3.39Å |
| 275 | H | 58.9 | Low | 61.2 | Low | 104 Ų | 104 | 123.1 Ų | 123.1 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.3 | -37.1 | 177.2 | -158.4 | -86.5 | 0 | 0 | 0 | 112.4 | A271 R278 R279 | A271-H275 VanDerWaalsContact O-CB 3.22Å; A271-H275 WeakPolarHBondContact O-CB 3.38Å; A271-H275 PolarHBondContact O-N 3.36Å; H275-R278 PolarHBondContact O-N 2.9Å; H275-R279 PolarHBondContact O-N 3.3Å |
| 276 | R | 59.1 | Low | 59.1 | Low | 207 Ų | 207 | 129.9 Ų | 129.9 | 78% | 0.781 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67 | -34.2 | 172 | -91.5 | -176.7 | 174.4 | 164.1 | -0.6 | 113.1 | A272 V273 | A272-R276 PolarHBondContact O-N 2.88Å; V273-R276 PolarHBondContact O-N 3.49Å |
| 277 | R | 58.2 | Low | 56.9 | Low | 195 Ų | 195 | 131.9 Ų | 131.9 | 74% | 0.736 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.7 | -35.3 | 174.3 | -80.7 | -176 | 175.2 | 179.7 | -0.6 | 112.8 | V273 H274 R280 | V273-R277 PolarHBondContact O-N 3.18Å; H274-R277 PolarHBondContact O-N 2.82Å; R277-R280 PolarHBondContact O-N 2.89Å |
| 278 | R | 53.7 | Low | 54.6 | Low | 177 Ų | 177 | 133.1 Ų | 133.1 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.9 | -34.5 | 175.1 | -87.3 | -172.2 | 174.6 | 178 | -1.5 | 113.4 | H274 H275 R280 R281 | H274-R278 PolarHBondContact CE1-NE 3.46Å; H274-R278 PolarHBondContact O-N 3.39Å; H275-R278 PolarHBondContact O-N 2.9Å; R278-R280 PolarHBondContact O-N 3.39Å; R278-R281 PolarHBondContact O-N 2.93Å |
| 279 | R | 54.7 | Low | 53 | Low | 202 Ų | 202 | 131.1 Ų | 131.1 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -16.5 | 177.5 | -76.7 | -171 | 178.1 | 173.9 | 0.6 | 115.1 | H275 | H275-R279 PolarHBondContact O-N 3.3Š|
| 280 | R | 56.2 | Low | 51.7 | Low | 232 Ų | 232 | 137.9 Ų | 137.9 | 88% | 0.875 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -8.7 | 177 | -74.5 | -171.5 | 178.2 | 173.1 | -0.7 | 114.2 | R277 R278 | R277-R280 PolarHBondContact O-N 2.89Å; R278-R280 PolarHBondContact O-N 3.39Å |
| 281 | R | 54.2 | Low | 50.6 | Low | 217 Ų | 217 | 141.3 Ų | 141.3 | 82% | 0.819 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -109.2 | 100 | 172 | -74.6 | -179.6 | 175.2 | 150.1 | -2.4 | 107.2 | R278 G283 | R278-R281 PolarHBondContact O-N 2.93Å; R281-G283 PolarHBondContact O-N 3.42Å |
| 282 | G | 43.5 | Very low | 49.6 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | trans | -52.1 | 130.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 283 | G | 42.9 | Very low | 48.8 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | -168.5 | 100.4 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | R281 | R281-G283 PolarHBondContact O-N 3.42Š| ||
| 284 | H | 41.3 | Very low | 47.9 | Very low | 193 Ų | 193 | 146 Ų | 146 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | trans | -58.5 | 149 | 170.8 | -110.2 | -107.5 | 0 | 0 | 0 | 112.1 | ||||
| 285 | S | 40.6 | Very low | 47.3 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 58.2 | 108.8 | 147.9 | -165.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 286 | Y | 40.8 | Very low | 46.7 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | -175 | 136.8 | 114.4 | 71.1 | -84.7 | 0 | 0 | 0 | 112.3 | |||||
| 287 | E | 37.9 | Very low | 46.2 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | 4 | 141.7 | 148.5 | -112.6 | 150 | 129.1 | 0 | 0 | 123 | ||||
| 288 | S | 37.6 | Very low | 45.6 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | 41.3 | 97.6 | 136.8 | 70.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 289 | S | 43.5 | Very low | 45.5 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -168.5 | 5.2 | 151 | -85.3 | 0 | 0 | 0 | 0 | 114.8 | S291 | S289-S291 PolarHBondContact O-N 2.87Š| ||
| 290 | F | 41.4 | Very low | 45.3 | Very low | 177 Ų | 177 | 125.9 Ų | 125.9 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -11.8 | -168.2 | -158 | -105.9 | 0 | 0 | 0 | 115.2 | I294 | F290-I294 HydrophobicContact CE1-CD1 4.11Š|
| 291 | S | 45 | Very low | 45.1 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -11.3 | -177.5 | -64.9 | 0 | 0 | 0 | 0 | 115.2 | S289 | S289-S291 PolarHBondContact O-N 2.87Š|
| 292 | T | 43 | Very low | 44.9 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -101.6 | -9.4 | -169.6 | -23.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 293 | A | 44.9 | Very low | 45.3 | Very low | 68 Ų | 68 | 114.3 Ų | 114.3 | 56% | 0.562 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -94.9 | -14.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 294 | I | 48 | Very low | 45.8 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -87.1 | -25.3 | 179.1 | -65.1 | 174 | 0 | 0 | 0 | 111 | F290 | F290-I294 HydrophobicContact CE1-CD1 4.11Š|
| 295 | S | 47.3 | Very low | 46.4 | Very low | 89 Ų | 89 | 108 Ų | 108 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.7 | -25.1 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 296 | S | 46.2 | Very low | 46.9 | Very low | 74 Ų | 74 | 106.9 Ų | 106.9 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -85.1 | -16.3 | -176.7 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | S299 T300 | S296-S299 PolarHBondContact O-OG 2.81Å; S296-T300 PolarHBondContact O-OG1 3.41Å |
| 297 | R | 50 | Low | 47.5 | Very low | 189 Ų | 189 | 105.7 Ų | 105.7 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -100.3 | -20.3 | 179.8 | -71.8 | -177.6 | 158.8 | -165.7 | -5.9 | 113.8 | T300 | R297-T300 PolarHBondContact O-OG1 3.35Å |
| 298 | A | 46.2 | Very low | 48 | Very low | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.6 | -30.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S302 | A298-S302 PolarHBondContact O-N 2.88Å |
| 299 | S | 50.6 | Low | 48.6 | Very low | 66 Ų | 66 | 103.9 Ų | 103.9 | 46% | 0.462 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73 | -30.2 | 178.6 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | S296 T303 | S296-S299 PolarHBondContact O-OG 2.81Å; S299-T303 PolarHBondContact O-N 2.86Å; S299-T303 PolarHBondContact O-OG1 3.43Å |
| 300 | T | 50.9 | Low | 48.5 | Very low | 90 Ų | 90 | 102.2 Ų | 102.2 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76 | -32.3 | 177.5 | 23.9 | 0 | 0 | 0 | 0 | 112.2 | S296 R297 A304 | S296-T300 PolarHBondContact O-OG1 3.41Å; R297-T300 PolarHBondContact O-OG1 3.35Å; T300-A304 PolarHBondContact O-N 3.29Å |
| 301 | F | 50.9 | Low | 48.5 | Very low | 148 Ų | 148 | 104.2 Ų | 104.2 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.9 | -38.9 | 177.3 | -149.4 | -98.5 | 0 | 0 | 0 | 112.3 | A304 I305 | F301-A304 PolarHBondContact O-N 3Å; F301-I305 HydrophobicContact CD1-CD1 3.76Å; F301-I305 HydrophobicContact CE1-CD1 3.79Å; F301-I305 WeakPolarHBondContact O-CG1 3.34Å; F301-I305 PolarHBondContact O-N 2.94Å |
| 302 | S | 51.7 | Low | 48.3 | Very low | 76 Ų | 76 | 104 Ų | 104 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.5 | -42.4 | 173.9 | -71.3 | 0 | 0 | 0 | 0 | 112 | A298 A304 I305 S306 | A298-S302 PolarHBondContact O-N 2.88Å; S302-A304 VanDerWaalsContact C-N 3.31Å; S302-A304 PolarHBondContact O-N 2.89Å; S302-I305 PolarHBondContact O-N 2.92Å; S302-S306 PolarHBondContact O-N 2.95Å; S302-S306 PolarHBondContact O-OG 3.34Å |
| 303 | T | 51.1 | Low | 48.2 | Very low | 67 Ų | 67 | 106 Ų | 106 | 41% | 0.411 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.3 | -29.9 | 179.1 | -43.2 | 0 | 0 | 0 | 0 | 112.9 | S299 R307 | S299-T303 PolarHBondContact O-N 2.86Å; S299-T303 PolarHBondContact O-OG1 3.43Å; T303-R307 WeakPolarHBondContact O-CB 3.31Å; T303-R307 VanDerWaalsContact O-CG 3.32Å; T303-R307 WeakPolarHBondContact O-CG 3.31Å; T303-R307 PolarHBondContact O-N 3.38Å; T303-R307 VanDerWaalsContact O-N 3.14Å |
| 304 | A | 52.8 | Low | 47.7 | Very low | 56 Ų | 56 | 108.5 Ų | 108.5 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.5 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T300 F301 S302 R307 A308 | T300-A304 PolarHBondContact O-N 3.29Å; F301-A304 PolarHBondContact O-N 3Å; S302-A304 VanDerWaalsContact C-N 3.31Å; S302-A304 PolarHBondContact O-N 2.89Å; A304-R307 PolarHBondContact O-N 3.25Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.99Å |
| 305 | I | 54.3 | Low | 47.3 | Very low | 82 Ų | 82 | 110.1 Ų | 110.1 | 42% | 0.421 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.4 | -42.4 | 175.6 | -65.6 | 171.9 | 0 | 0 | 0 | 110.1 | F301 S302 R307 A308 F309 | F301-I305 HydrophobicContact CD1-CD1 3.76Å; F301-I305 HydrophobicContact CE1-CD1 3.79Å; F301-I305 WeakPolarHBondContact O-CG1 3.34Å; F301-I305 PolarHBondContact O-N 2.94Å; S302-I305 PolarHBondContact O-N 2.92Å; I305-R307 VanDerWaalsContact C-N 3.3Å; I305-R307 PolarHBondContact O-N 3.46Å; I305-A308 PolarHBondContact O-N 3.22Å; I305-F309 HydrophobicContact CG2-CD2 3.79Å; I305-F309 HydrophobicContact CG2-CE2 4.09Å; I305-F309 WeakPolarHBondContact O-CD2 3.21Å; I305-F309 PolarHBondContact O-N 3.44Å |
| 306 | S | 51.4 | Low | 46.6 | Very low | 82 Ų | 82 | 114.7 Ų | 114.7 | 57% | 0.573 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64 | -32.3 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | S302 G310 | S302-S306 PolarHBondContact O-N 2.95Å; S302-S306 PolarHBondContact O-OG 3.34Å; S306-G310 WeakPolarHBondContact O-CA 3.38Å; S306-G310 PolarHBondContact O-N 3.01Å |
| 307 | R | 52.2 | Low | 46.1 | Very low | 188 Ų | 188 | 115.5 Ų | 115.5 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79 | -26.3 | 174.8 | -74.2 | 177 | 179.5 | 172.1 | 1 | 113.7 | T303 A304 I305 | T303-R307 WeakPolarHBondContact O-CB 3.31Å; T303-R307 VanDerWaalsContact O-CG 3.32Å; T303-R307 WeakPolarHBondContact O-CG 3.31Å; T303-R307 PolarHBondContact O-N 3.38Å; T303-R307 VanDerWaalsContact O-N 3.14Å; A304-R307 PolarHBondContact O-N 3.25Å; I305-R307 VanDerWaalsContact C-N 3.3Å; I305-R307 PolarHBondContact O-N 3.46Å |
| 308 | A | 49 | Very low | 45.5 | Very low | 66 Ų | 66 | 116.4 Ų | 116.4 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -78.5 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A304 I305 | A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.99Å; I305-A308 PolarHBondContact O-N 3.22Å |
| 309 | F | 51.3 | Low | 44.8 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86 | -26 | 176.9 | -79.1 | -86.8 | 0 | 0 | 0 | 113.5 | I305 R311 | I305-F309 HydrophobicContact CG2-CD2 3.79Å; I305-F309 HydrophobicContact CG2-CE2 4.09Å; I305-F309 WeakPolarHBondContact O-CD2 3.21Å; I305-F309 PolarHBondContact O-N 3.44Å; F309-R311 PolarHBondContact O-N 2.93Å |
| 310 | G | 40.9 | Very low | 44.3 | Very low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 2.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S306 | S306-G310 WeakPolarHBondContact O-CA 3.38Å; S306-G310 PolarHBondContact O-N 3.01Å |
| 311 | R | 40.4 | Very low | 43.7 | Very low | 219 Ų | 219 | 125 Ų | 125 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 1.7 | -178.4 | -123 | 176.4 | -175 | 170.9 | 0.9 | 114.4 | F309 | F309-R311 PolarHBondContact O-N 2.93Š|
| 312 | Q | 41.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 125 Ų | 125 | 51% | 0.514 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -104.5 | 65.2 | 176.8 | -76.5 | -171.3 | -33.5 | 0 | 0 | 111.4 | ||
| 313 | Q | 41.2 | Very low | 42.6 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | trans | -172.5 | 63.8 | 156.3 | -106.7 | 172.8 | 9.5 | 0 | 0 | 110.3 | ||||
| 314 | T | 34.9 | Very low | 41.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -136.8 | 82.5 | 156.2 | 58 | 0 | 0 | 0 | 0 | 107.5 | K316 | T314-K316 PolarHBondContact O-N 3.01Š| ||
| 315 | V | 39.2 | Very low | 41.1 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | trans | -70.9 | 92 | 162.6 | 178.8 | 0 | 0 | 0 | 0 | 105.7 | A317 | V315-A317 PolarHBondContact O-N 3.44Å; V315-A317 VanDerWaalsContact O-N 3.08Å | ||
| 316 | K | 32.8 | Very low | 40.2 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -60.7 | 109 | 165.1 | -81.4 | -177.4 | 173.7 | -179.5 | 0 | 107.3 | T314 K318 | T314-K316 PolarHBondContact O-N 3.01Å; K316-K318 PolarHBondContact O-N 3.37Å | ||
| 317 | A | 35.8 | Very low | 39.5 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -54.8 | 119.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | V315 T319 | V315-A317 PolarHBondContact O-N 3.44Å; V315-A317 VanDerWaalsContact O-N 3.08Å; A317-T319 PolarHBondContact O-N 3.48Å; A317-T319 VanDerWaalsContact O-N 3.14Å | ||
| 318 | K | 36 | Very low | 38.8 | Very low | 207 Ų | 207 | 140.4 Ų | 140.4 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | trans | -64.8 | 108.8 | 173.3 | -87 | 177.6 | 170.9 | 177.8 | 0 | 108.5 | K316 A320 | K316-K318 PolarHBondContact O-N 3.37Å; K318-A320 PolarHBondContact O-N 3.06Å | ||
| 319 | T | 32.1 | Very low | 38.3 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -61.7 | 120.3 | 155.7 | 4.2 | 0 | 0 | 0 | 0 | 108.2 | A317 | A317-T319 PolarHBondContact O-N 3.48Å; A317-T319 VanDerWaalsContact O-N 3.14Å | ||
| 320 | A | 40.7 | Very low | 37.7 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -112.2 | 122 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108 | K318 | K318-A320 PolarHBondContact O-N 3.06Š| ||
| 321 | D | 37.2 | Very low | 37.7 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -55 | 137.7 | 175.4 | -75.1 | -59.6 | 0 | 0 | 0 | 113.2 | ||||
| 322 | T | 43.5 | Very low | 37.6 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -153 | 110 | 130.4 | 23.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 323 | R | 35.5 | Very low | 37.6 | Very low | 238 Ų | 238 | 143.3 Ų | 143.3 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -17 | 138 | 156.5 | -98 | 173.2 | 171.4 | 165.9 | -2.8 | 118.8 | ||||
| 324 | S | 36.3 | Very low | 37.5 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | 77.9 | 107.3 | 121.2 | -169.7 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 325 | L | 37.2 | Very low | 37.8 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | 179.4 | 142.6 | 107.1 | -96 | 151.2 | 0 | 0 | 0 | 111 | |||||
| 326 | A | 35.7 | Very low | 38.1 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | trans | -91.7 | 169.1 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 327 | K | 36.9 | Very low | 38.2 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | 90.7 | 133.8 | 150.5 | -67.1 | 174.9 | 171.9 | 178.6 | 0 | 119.2 | ||||
| 328 | G | 36.6 | Very low | 38.7 | Very low | 72 Ų | 72 | 143.5 Ų | 143.5 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | 123.5 | 80.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 329 | S | 38 | Very low | 39.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 86% | 0.863 | S | S | * | * | 76 | 107.8 | 89.4 | -162.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 330 | S | 39.9 | Very low | 39.9 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 86% | 0.861 | S | S | * | * | trans | 38.3 | 122.6 | 136.1 | -55.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 331 | K | 40.8 | Very low | 39.9 | Very low | 211 Ų | 211 | 142.9 Ų | 142.9 | 92% | 0.917 | 87% | 0.866 | S | S | * | * | 179.9 | 138.1 | 108.9 | -99.2 | 171.1 | 179.8 | 180 | 0 | 112.8 | |||||
| 332 | A | 38 | Very low | 40 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 79% | 0.785 | 87% | 0.867 | S | S | * | * | trans | -76.9 | 150.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 333 | V | 40.9 | Very low | 39.8 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 94% | 0.939 | 86% | 0.864 | S | S | * | * | trans | -174.1 | 139.9 | 150 | 169.4 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 334 | G | 39.4 | Very low | 40.1 | Very low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 86% | 0.862 | S | S | * | * | cis | 158.6 | 126.2 | 9.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 335 | I | 40.5 | Very low | 40.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 85% | 0.851 | 87% | 0.874 | S | S | * | * | trans | 11.4 | 132.7 | 151.9 | -56.8 | 165.5 | 0 | 0 | 0 | 119.1 | ||||
| 336 | S | 46.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 87% | 0.873 | S | S | * | * | -166.5 | 122.7 | 125.2 | -87.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 337 | K | 35.3 | Very low | 40.9 | Very low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 89% | 0.888 | S | S | * | * | trans | -84 | 135.2 | 154.2 | -106.9 | -178.8 | 172.6 | 179.5 | 0 | 107.6 | ||||
| 338 | V | 46.3 | Very low | 41.3 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 95% | 0.945 | 88% | 0.884 | S | S | * | * | trans | -163.9 | 133.2 | 136.2 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 339 | G | 53.5 | Low | 41.7 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 100% | 1.526 | 90% | 0.897 | S | S | * | * | trans | 155.8 | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 339 of 339 residues in 290.4 ms
(Link to these results)