| 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 | 69.2 | Low | 91.1 | Very high | 249 Ų | 249 | 126.2 Ų | 126.2 | 100% | 1.227 | 63% | 0.632 | S | S | * | * | 0 | 137.7 | 0 | -143.1 | -176.6 | -71 | 0 | 0 | 107.5 | |||||
| 2 | R | 84.4 | Confident | 91.5 | Very high | 224 Ų | 224 | 116.9 Ų | 116.9 | 85% | 0.845 | 59% | 0.589 | S | S | * | * | trans | -94.1 | 127.6 | 179.9 | -174.8 | 174.7 | 178.3 | 173.4 | -1 | 109.6 | ||||
| 3 | A | 89.4 | Confident | 91.5 | Very high | 98 Ų | 98 | 117.8 Ų | 117.8 | 81% | 0.81 | 60% | 0.596 | S | S | * | * | trans | -64.9 | 145.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | R | 92.2 | Very high | 91.5 | Very high | 150 Ų | 150 | 122.3 Ų | 122.3 | 57% | 0.566 | 61% | 0.609 | S | S | * | * | trans | -115.6 | 145.7 | 178.3 | -60.3 | 178.6 | -163.3 | 162 | 1.3 | 109.2 | V22 L29 | R4-V22 HydrophobicContact CB-CG1 4.27Å; R4-L29 VanDerWaalsContact NH1-CD1 3.26Å | ||
| 5 | K | 93.4 | Very high | 91.3 | Very high | 168 Ų | 168 | 118.4 Ų | 118.4 | 73% | 0.73 | 61% | 0.613 | S | S | * | * | trans | -96.9 | 139 | 173 | -169.7 | 174.2 | -178.9 | 177.1 | 0 | 109.1 | ||||
| 6 | G | 94.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 121.9 Ų | 121.9 | 33% | 0.33 | 62% | 0.622 | S | S | . | * | trans | -156.1 | 178.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W21 | G6-W21 CarbonylContact C-O 3.46Å; G6-W21 WeakPolarHBondContact CA-O 3.35Å | ||
| 7 | L | 94.6 | Very high | 91.6 | Very high | 111 Ų | 111 | 115.5 Ų | 115.5 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 132.9 | 177.6 | -68.5 | 132.8 | 0 | 0 | 0 | 108.9 | V9 I20 W21 | L7-V9 PolarHBondContact O-N 3.04Å; L7-I20 CarbonylContact O-C 3.6Å; L7-I20 WeakPolarHBondContact O-CA 3.45Å; L7-W21 PolarHBondContact N-O 3.4Å; L7-W21 PolarHBondContact O-N 3.2Å |
| 8 | L | 95.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 112.9 Ų | 112.9 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.7 | 121.7 | 170.1 | 175.9 | 63.4 | 0 | 0 | 0 | 108.5 | W18 I20 F36 | L8-W18 HydrophobicContact CD1-CB 4.01Å; L8-W18 HydrophobicContact CD1-CD2 4.4Å; L8-W18 HydrophobicContact CD1-CE3 3.9Å; L8-W18 HydrophobicContact CD1-CG 4.47Å; L8-I20 HydrophobicContact CB-CD1 4.38Å; L8-I20 HydrophobicContact CD1-CD1 3.87Å; L8-F36 HydrophobicContact CB-CE1 4.33Å; L8-F36 HydrophobicContact CD1-CE1 4.12Å; L8-F36 HydrophobicContact CD2-CE1 3.84Å; L8-F36 HydrophobicContact CD2-CZ 4.5Å; L8-F36 HydrophobicContact CG-CE1 4.31Å |
| 9 | V | 96.2 | Very high | 92.1 | Very high | 82 Ų | 82 | 111.3 Ų | 111.3 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.8 | -0.9 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | L7 R19 W21 V28 | L7-V9 PolarHBondContact O-N 3.04Å; V9-R19 HydrophobicContact CG2-CB 3.73Å; V9-R19 WeakPolarHBondContact CG2-O 3.48Å; V9-R19 PolarHBondContact N-O 3.06Å; V9-W21 HydrophobicContact CG1-CB 3.68Å; V9-V28 HydrophobicContact CG2-CG1 4.01Å; V9-V28 HydrophobicContact CG2-CG2 4.42Å |
| 10 | G | 96.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 106.9 Ų | 106.9 | 27% | 0.268 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.1 | -162.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | R19 | G10-R19 PolarHBondContact N-O 3.13Å; G10-R19 PolarHBondContact O-N 3.12Å |
| 11 | Y | 96.8 | Very high | 92.5 | Very high | 155 Ų | 155 | 106.2 Ų | 106.2 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 155 | 176.2 | -67.6 | -82.4 | 0 | 0 | 0 | 111.9 | W18 R19 | Y11-W18 AromaticContact CD1-CE3 3.86Å; Y11-W18 HydrophobicContact CD1-CE3 3.86Å; Y11-W18 HydrophobicContact CD1-CH2 4.31Å; Y11-W18 AromaticContact CD1-CZ3 3.6Å; Y11-W18 HydrophobicContact CD1-CZ3 3.6Å; Y11-W18 AromaticContact CE1-CE3 3.85Å; Y11-W18 HydrophobicContact CE1-CE3 3.85Å; Y11-W18 AromaticContact CE1-CH2 3.56Å; Y11-W18 HydrophobicContact CE1-CH2 3.56Å; Y11-W18 AromaticContact CE1-CZ3 3.09Å; Y11-W18 HydrophobicContact CE1-CZ3 3.09Å; Y11-W18 AromaticContact CZ-CZ3 3.64Å; Y11-R19 WeakPolarHBondContact O-CD 3.34Å; Y11-R19 VanDerWaalsContact O-CG 3.27Å; Y11-R19 WeakPolarHBondContact O-CG 3.41Å |
| 12 | A | 95.5 | Very high | 93.8 | Very high | 15 Ų | 15 | 94.6 Ų | 94.6 | 12% | 0.124 | 47% | 0.473 | C | S | . | . | trans | -57.2 | 140.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K14 G17 E30 | A12-K14 VanDerWaalsContact C-N 3.28Å; A12-K14 PolarHBondContact O-N 2.94Å; A12-G17 PolarHBondContact N-O 3.09Å; A12-E30 HydrophobicContact CB-CG 4.14Å | ||
| 13 | L | 92 | Very high | 94.3 | Very high | 129 Ų | 129 | 87.3 Ų | 87.3 | 68% | 0.675 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -68.5 | -31.4 | 178.5 | -64.6 | 179 | 0 | 0 | 0 | 111.7 | E30 | L13-E30 PolarHBondContact N-OE1 3.15Š|
| 14 | K | 91.3 | Very high | 94.6 | Very high | 180 Ų | 180 | 89.5 Ų | 89.5 | 78% | 0.783 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -127.9 | 119.8 | 179 | -66.9 | -176.2 | 179.5 | 178.3 | 0 | 110.6 | A12 | A12-K14 VanDerWaalsContact C-N 3.28Å; A12-K14 PolarHBondContact O-N 2.94Å |
| 15 | G | 89.1 | Confident | 94.7 | Very high | 64 Ų | 64 | 85.5 Ų | 85.5 | 66% | 0.66 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 78.2 | -156.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 16 | K | 91.1 | Very high | 94.9 | Very high | 175 Ų | 175 | 85.2 Ų | 85.2 | 76% | 0.761 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -89.4 | 137.5 | -179.2 | -58.5 | -176.9 | -179 | -176 | 0 | 109.6 | R32 | K16-R32 WeakPolarHBondContact O-CD 3.16Å; K16-R32 WeakPolarHBondContact O-CG 3.16Å; K16-R32 PolarHBondContact O-NE 3.05Å |
| 17 | G | 95.5 | Very high | 95 | Very high | 13 Ų | 13 | 87.9 Ų | 87.9 | 13% | 0.134 | 44% | 0.442 | C | S | . | . | trans | 148.6 | -175.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A12 | A12-G17 PolarHBondContact N-O 3.09Š| ||
| 18 | W | 96.5 | Very high | 95.1 | Very high | 69 Ų | 69 | 85.2 Ų | 85.2 | 26% | 0.261 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.9 | -174.8 | -48.9 | 104.7 | 0 | 0 | 0 | 110.4 | L8 Y11 I20 E30 S31 F36 | L8-W18 HydrophobicContact CD1-CB 4.01Å; L8-W18 HydrophobicContact CD1-CD2 4.4Å; L8-W18 HydrophobicContact CD1-CE3 3.9Å; L8-W18 HydrophobicContact CD1-CG 4.47Å; Y11-W18 AromaticContact CD1-CE3 3.86Å; Y11-W18 HydrophobicContact CD1-CE3 3.86Å; Y11-W18 HydrophobicContact CD1-CH2 4.31Å; Y11-W18 AromaticContact CD1-CZ3 3.6Å; Y11-W18 HydrophobicContact CD1-CZ3 3.6Å; Y11-W18 AromaticContact CE1-CE3 3.85Å; Y11-W18 HydrophobicContact CE1-CE3 3.85Å; Y11-W18 AromaticContact CE1-CH2 3.56Å; Y11-W18 HydrophobicContact CE1-CH2 3.56Å; Y11-W18 AromaticContact CE1-CZ3 3.09Å; Y11-W18 HydrophobicContact CE1-CZ3 3.09Å; Y11-W18 AromaticContact CZ-CZ3 3.64Å; W18-I20 HydrophobicContact CB-CD1 3.85Å; W18-I20 HydrophobicContact CB-CG1 4.33Å; W18-E30 CarbonylContact O-C 3.59Å; W18-E30 VanDerWaalsContact O-CA 3.28Å; W18-E30 WeakPolarHBondContact O-CA 3.05Å; W18-S31 PolarHBondContact N-O 3.36Å; W18-S31 PolarHBondContact O-N 2.92Å; W18-F36 AromaticContact CD1-CZ 3.94Å; W18-F36 HydrophobicContact CD2-CE2 4.46Å; W18-F36 AromaticContact CD2-CZ 3.75Å; W18-F36 HydrophobicContact CD2-CZ 3.75Å; W18-F36 AromaticContact CE2-CE2 3.93Å; W18-F36 AromaticContact CE2-CZ 3.68Å; W18-F36 HydrophobicContact CE3-CZ 4.28Å; W18-F36 AromaticContact CG-CZ 3.92Å; W18-F36 HydrophobicContact CG-CZ 3.92Å; W18-F36 HydrophobicContact CZ2-CE2 4.15Å; W18-F36 HydrophobicContact CZ2-CZ 4.17Å; W18-F36 AromaticContact NE1-CE2 3.9Å; W18-F36 AromaticContact NE1-CZ 3.79Å |
| 19 | R | 97 | Very high | 95 | Very high | 82 Ų | 82 | 83 Ų | 83 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.5 | 167 | -73.5 | -178.4 | 81.3 | -168.8 | 0.4 | 108.5 | V9 G10 Y11 V28 L29 E30 | V9-R19 HydrophobicContact CG2-CB 3.73Å; V9-R19 WeakPolarHBondContact CG2-O 3.48Å; V9-R19 PolarHBondContact N-O 3.06Å; G10-R19 PolarHBondContact N-O 3.13Å; G10-R19 PolarHBondContact O-N 3.12Å; Y11-R19 WeakPolarHBondContact O-CD 3.34Å; Y11-R19 VanDerWaalsContact O-CG 3.27Å; Y11-R19 WeakPolarHBondContact O-CG 3.41Å; R19-V28 HydrophobicContact CB-CG1 3.7Å; R19-V28 HydrophobicContact CG-CG1 4.1Å; R19-L29 CarbonylContact C-O 3.53Å; R19-L29 WeakPolarHBondContact CA-O 3.5Å; R19-E30 HydrophobicContact CG-CG 3.76Å |
| 20 | I | 96 | Very high | 95 | Very high | 22 Ų | 22 | 83.6 Ų | 83.6 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.9 | -176.6 | -51.3 | -58.9 | 0 | 0 | 0 | 108.4 | L7 L8 W18 V22 V28 L29 | L7-I20 CarbonylContact O-C 3.6Å; L7-I20 WeakPolarHBondContact O-CA 3.45Å; L8-I20 HydrophobicContact CB-CD1 4.38Å; L8-I20 HydrophobicContact CD1-CD1 3.87Å; W18-I20 HydrophobicContact CB-CD1 3.85Å; W18-I20 HydrophobicContact CB-CG1 4.33Å; I20-V22 HydrophobicContact CG2-CG2 4.28Å; I20-V22 PolarHBondContact O-N 3.07Å; I20-V28 WeakPolarHBondContact O-CA 3.15Å; I20-L29 PolarHBondContact N-O 3.29Å; I20-L29 PolarHBondContact O-N 3.21Å |
| 21 | W | 97.1 | Very high | 94.8 | Very high | 94 Ų | 94 | 84.4 Ų | 84.4 | 36% | 0.356 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.8 | 168.9 | 173.8 | -107.9 | 0 | 0 | 0 | 109.5 | G6 L7 V9 Q26 Q27 V28 | G6-W21 CarbonylContact C-O 3.46Å; G6-W21 WeakPolarHBondContact CA-O 3.35Å; L7-W21 PolarHBondContact N-O 3.4Å; L7-W21 PolarHBondContact O-N 3.2Å; V9-W21 HydrophobicContact CG1-CB 3.68Å; W21-Q26 HydrophobicContact CH2-CB 4.12Å; W21-Q26 VanDerWaalsContact CH2-O 3.29Å; W21-Q26 WeakPolarHBondContact CH2-O 3.44Å; W21-Q26 HydrophobicContact CZ2-CB 4.39Å; W21-Q26 WeakPolarHBondContact CZ3-O 3.45Å; W21-Q27 VanDerWaalsContact CE3-C 3.43Å; W21-V28 HydrophobicContact CE3-CG2 3.7Å; W21-V28 HydrophobicContact CZ3-CG2 4.33Å |
| 22 | V | 96 | Very high | 94.7 | Very high | 4 Ų | 4 | 85.6 Ų | 85.6 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 105.5 | 179 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | R4 I20 E24 L25 Q26 Q27 L29 | R4-V22 HydrophobicContact CB-CG1 4.27Å; I20-V22 HydrophobicContact CG2-CG2 4.28Å; I20-V22 PolarHBondContact O-N 3.07Å; V22-E24 VanDerWaalsContact C-N 3.3Å; V22-E24 HydrophobicContact CG1-CB 4.32Å; V22-E24 PolarHBondContact O-N 2.82Å; V22-L25 HydrophobicContact CB-CB 4.36Å; V22-L25 HydrophobicContact CB-CD1 4.44Å; V22-L25 HydrophobicContact CG1-CB 4.16Å; V22-L25 HydrophobicContact CG1-CD1 3.98Å; V22-L25 HydrophobicContact CG1-CG 3.99Å; V22-L25 PolarHBondContact O-N 2.91Å; V22-L25 VanDerWaalsContact O-N 3.1Å; V22-Q26 PolarHBondContact O-N 3.39Å; V22-Q27 PolarHBondContact N-O 3.46Å; V22-L29 HydrophobicContact CG2-CD1 3.79Å; V22-L29 HydrophobicContact CG2-CG 4.21Å |
| 23 | P | 94.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 92.2 Ų | 92.2 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -63.4 | -35.4 | -173.3 | 24.5 | -33.7 | 0 | 0 | 0 | 112.6 | L25 Q26 | P23-L25 PolarHBondContact O-N 2.98Å; P23-L25 VanDerWaalsContact O-N 3.13Å; P23-Q26 PolarHBondContact O-N 3.47Å |
| 24 | E | 94.8 | Very high | 94.5 | Very high | 145 Ų | 145 | 88.1 Ų | 88.1 | 68% | 0.678 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -58.4 | -26.4 | 177.2 | -65.1 | 176.9 | -111.8 | 0 | 0 | 113.1 | V22 | V22-E24 VanDerWaalsContact C-N 3.3Å; V22-E24 HydrophobicContact CG1-CB 4.32Å; V22-E24 PolarHBondContact O-N 2.82Å |
| 25 | L | 95.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 85.9 Ų | 85.9 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -114.6 | -1.3 | -174.4 | -63.9 | 178.8 | 0 | 0 | 0 | 113.3 | V22 P23 Q27 L29 | V22-L25 HydrophobicContact CB-CB 4.36Å; V22-L25 HydrophobicContact CB-CD1 4.44Å; V22-L25 HydrophobicContact CG1-CB 4.16Å; V22-L25 HydrophobicContact CG1-CD1 3.98Å; V22-L25 HydrophobicContact CG1-CG 3.99Å; V22-L25 PolarHBondContact O-N 2.91Å; V22-L25 VanDerWaalsContact O-N 3.1Å; P23-L25 PolarHBondContact O-N 2.98Å; P23-L25 VanDerWaalsContact O-N 3.13Å; L25-Q27 HydrophobicContact CB-CG 3.68Å; L25-Q27 HydrophobicContact CD1-CG 4.5Å; L25-Q27 PolarHBondContact O-N 2.79Å; L25-Q27 VanDerWaalsContact O-N 3.09Å; L25-Q27 PolarHBondContact O-NE2 3.45Å; L25-L29 HydrophobicContact CD1-CD1 4.24Å |
| 26 | Q | 97 | Very high | 94.6 | Very high | 163 Ų | 163 | 88 Ų | 88 | 76% | 0.762 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 41.8 | -174.3 | -62.2 | -176.9 | -41.6 | 0 | 0 | 113.2 | W21 V22 P23 | W21-Q26 HydrophobicContact CH2-CB 4.12Å; W21-Q26 VanDerWaalsContact CH2-O 3.29Å; W21-Q26 WeakPolarHBondContact CH2-O 3.44Å; W21-Q26 HydrophobicContact CZ2-CB 4.39Å; W21-Q26 WeakPolarHBondContact CZ3-O 3.45Å; V22-Q26 PolarHBondContact O-N 3.39Å; P23-Q26 PolarHBondContact O-N 3.47Å |
| 27 | Q | 97 | Very high | 94.4 | Very high | 87 Ų | 87 | 85.7 Ų | 85.7 | 41% | 0.407 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.9 | -177.1 | 70.8 | -170.9 | -94.7 | 0 | 0 | 112.5 | W21 V22 L25 L29 | W21-Q27 VanDerWaalsContact CE3-C 3.43Å; V22-Q27 PolarHBondContact N-O 3.46Å; L25-Q27 HydrophobicContact CB-CG 3.68Å; L25-Q27 HydrophobicContact CD1-CG 4.5Å; L25-Q27 PolarHBondContact O-N 2.79Å; L25-Q27 VanDerWaalsContact O-N 3.09Å; L25-Q27 PolarHBondContact O-NE2 3.45Å; Q27-L29 HydrophobicContact CG-CD2 3.97Å; Q27-L29 HydrophobicContact CG-CG 4.18Å |
| 28 | V | 96.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 93 Ų | 93 | 33% | 0.333 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | V9 R19 I20 W21 | V9-V28 HydrophobicContact CG2-CG1 4.01Å; V9-V28 HydrophobicContact CG2-CG2 4.42Å; R19-V28 HydrophobicContact CB-CG1 3.7Å; R19-V28 HydrophobicContact CG-CG1 4.1Å; I20-V28 WeakPolarHBondContact O-CA 3.15Å; W21-V28 HydrophobicContact CE3-CG2 3.7Å; W21-V28 HydrophobicContact CZ3-CG2 4.33Å |
| 29 | L | 94.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 98.3 Ų | 98.3 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.1 | 174.1 | -62.1 | 178.9 | 0 | 0 | 0 | 110.3 | R4 R19 I20 V22 L25 Q27 | R4-L29 VanDerWaalsContact NH1-CD1 3.26Å; R19-L29 CarbonylContact C-O 3.53Å; R19-L29 WeakPolarHBondContact CA-O 3.5Å; I20-L29 PolarHBondContact N-O 3.29Å; I20-L29 PolarHBondContact O-N 3.21Å; V22-L29 HydrophobicContact CG2-CD1 3.79Å; V22-L29 HydrophobicContact CG2-CG 4.21Å; L25-L29 HydrophobicContact CD1-CD1 4.24Å; Q27-L29 HydrophobicContact CG-CD2 3.97Å; Q27-L29 HydrophobicContact CG-CG 4.18Å |
| 30 | E | 95.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 100 Ų | 100 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.8 | 165.9 | -72.3 | -174.1 | 176.8 | 0 | 0 | 109.9 | A12 L13 W18 R19 | A12-E30 HydrophobicContact CB-CG 4.14Å; L13-E30 PolarHBondContact N-OE1 3.15Å; W18-E30 CarbonylContact O-C 3.59Å; W18-E30 VanDerWaalsContact O-CA 3.28Å; W18-E30 WeakPolarHBondContact O-CA 3.05Å; R19-E30 HydrophobicContact CG-CG 3.76Å |
| 31 | S | 92.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 103.5 Ų | 103.5 | 31% | 0.308 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 144.7 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | W18 D33 | W18-S31 PolarHBondContact N-O 3.36Å; W18-S31 PolarHBondContact O-N 2.92Å; S31-D33 PolarHBondContact OG-N 3.33Å; S31-D33 VanDerWaalsContact OG-N 3.11Å; S31-D33 PolarHBondContact OG-O 3.17Å |
| 32 | R | 94.5 | Very high | 88.5 | Confident | 180 Ų | 180 | 104.9 Ų | 104.9 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -92.2 | -25.2 | 168.3 | -68.2 | 179.7 | -176.7 | 176.3 | 3.2 | 112.1 | K16 C34 | K16-R32 WeakPolarHBondContact O-CD 3.16Å; K16-R32 WeakPolarHBondContact O-CG 3.16Å; K16-R32 PolarHBondContact O-NE 3.05Å; R32-C34 PolarHBondContact O-N 3.47Å |
| 33 | D | 92.8 | Very high | 86.7 | Confident | 153 Ų | 153 | 109.6 Ų | 109.6 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -96.9 | 84.5 | -174.9 | -158.3 | -109.1 | 0 | 0 | 0 | 108.1 | S31 | S31-D33 PolarHBondContact OG-N 3.33Å; S31-D33 VanDerWaalsContact OG-N 3.11Å; S31-D33 PolarHBondContact OG-O 3.17Å | ||
| 34 | C | 90.1 | Very high | 85 | Confident | 43 Ų | 43 | 112 Ų | 112 | 29% | 0.291 | 59% | 0.591 | S | S | . | * | trans | -133.4 | 137.1 | -179 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | R32 F36 | R32-C34 PolarHBondContact O-N 3.47Å; C34-F36 HydrophobicContact CB-CZ 4.5Å | ||
| 35 | V | 91.8 | Very high | 82.9 | Confident | 134 Ų | 134 | 115.7 Ų | 115.7 | 81% | 0.812 | 61% | 0.605 | S | S | * | * | trans | -106.5 | 122.4 | 169 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 36 | F | 90.8 | Very high | 81.2 | Confident | 109 Ų | 109 | 114.9 Ų | 114.9 | 48% | 0.478 | 61% | 0.612 | S | S | . | * | trans | -83.3 | 124.7 | 177.1 | -63 | -76 | 0 | 0 | 0 | 109.7 | L8 W18 C34 | L8-F36 HydrophobicContact CB-CE1 4.33Å; L8-F36 HydrophobicContact CD1-CE1 4.12Å; L8-F36 HydrophobicContact CD2-CE1 3.84Å; L8-F36 HydrophobicContact CD2-CZ 4.5Å; L8-F36 HydrophobicContact CG-CE1 4.31Å; W18-F36 AromaticContact CD1-CZ 3.94Å; W18-F36 HydrophobicContact CD2-CE2 4.46Å; W18-F36 AromaticContact CD2-CZ 3.75Å; W18-F36 HydrophobicContact CD2-CZ 3.75Å; W18-F36 AromaticContact CE2-CE2 3.93Å; W18-F36 AromaticContact CE2-CZ 3.68Å; W18-F36 HydrophobicContact CE3-CZ 4.28Å; W18-F36 AromaticContact CG-CZ 3.92Å; W18-F36 HydrophobicContact CG-CZ 3.92Å; W18-F36 HydrophobicContact CZ2-CE2 4.15Å; W18-F36 HydrophobicContact CZ2-CZ 4.17Å; W18-F36 AromaticContact NE1-CE2 3.9Å; W18-F36 AromaticContact NE1-CZ 3.79Å; C34-F36 HydrophobicContact CB-CZ 4.5Å | ||
| 37 | V | 87.1 | Confident | 79.1 | Confident | 125 Ų | 125 | 113.3 Ų | 113.3 | 76% | 0.758 | 62% | 0.616 | S | S | * | * | trans | -107.5 | 94.4 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 38 | E | 84.2 | Confident | 76.8 | Confident | 167 Ų | 167 | 115.2 Ų | 115.2 | 78% | 0.78 | 64% | 0.639 | S | S | * | * | trans | -67.3 | 133.1 | 170.2 | -168.3 | 176.6 | 138.3 | 0 | 0 | 108.8 | T40 | E38-T40 PolarHBondContact O-N 2.69Å; E38-T40 VanDerWaalsContact O-N 3.15Å | ||
| 39 | K | 81.5 | Confident | 74.9 | Confident | 180 Ų | 180 | 118.4 Ų | 118.4 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | trans | -74.5 | 104.3 | 165 | -71.2 | -179 | -179.5 | -179.5 | 0 | 106 | T41 | K39-T41 PolarHBondContact O-N 2.92Š| ||
| 40 | T | 68.8 | Low | 73 | Confident | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | trans | -63.5 | 91.5 | 166.4 | 46.6 | 0 | 0 | 0 | 0 | 108.1 | E38 V42 | E38-T40 PolarHBondContact O-N 2.69Å; E38-T40 VanDerWaalsContact O-N 3.15Å; T40-V42 VanDerWaalsContact C-N 3.29Å; T40-V42 PolarHBondContact O-N 2.88Å; T40-V42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | T | 63.3 | Low | 70.8 | Confident | 95 Ų | 95 | 128.3 Ų | 128.3 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | trans | -72.3 | 96.9 | 158.6 | 53.4 | 0 | 0 | 0 | 0 | 105.1 | K39 P43 | K39-T41 PolarHBondContact O-N 2.92Å; T41-P43 VanDerWaalsContact O-CD 3.3Å; T41-P43 WeakPolarHBondContact O-CD 3.27Å; T41-P43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | V | 61.3 | Low | 68.7 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 117.5 | 162.6 | -173 | 0 | 0 | 0 | 0 | 104.6 | T40 P44 | T40-V42 VanDerWaalsContact C-N 3.29Å; T40-V42 PolarHBondContact O-N 2.88Å; T40-V42 VanDerWaalsContact O-N 3.1Å; V42-P44 VanDerWaalsContact O-N 3.17Å |
| 43 | P | 58.5 | Low | 66.8 | Low | 104 Ų | 104 | 127.1 Ų | 127.1 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128.4 | 178.4 | 22.2 | -30.8 | 0 | 0 | 0 | 106.9 | T41 K45 | T41-P43 VanDerWaalsContact O-CD 3.3Å; T41-P43 WeakPolarHBondContact O-CD 3.27Å; T41-P43 VanDerWaalsContact O-N 3.09Å; P43-K45 PolarHBondContact O-N 3.47Å |
| 44 | P | 57.2 | Low | 64.8 | Low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 121.5 | 176.6 | 23.1 | -30.8 | 0 | 0 | 0 | 107.3 | V42 G46 | V42-P44 VanDerWaalsContact O-N 3.17Å; P44-G46 PolarHBondContact O-N 2.81Å |
| 45 | K | 51.5 | Low | 63.2 | Low | 224 Ų | 224 | 132.3 Ų | 132.3 | 97% | 0.974 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -71 | 75.5 | 172.6 | -169.6 | 176.9 | -179.4 | 175.5 | 0 | 107.6 | P43 | P43-K45 PolarHBondContact O-N 3.47Š|
| 46 | G | 59.2 | Low | 61.3 | Low | 47 Ų | 47 | 129.9 Ų | 129.9 | 49% | 0.485 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -145.2 | 155.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P44 S48 | P44-G46 PolarHBondContact O-N 2.81Å; G46-S48 PolarHBondContact O-N 3.38Å |
| 47 | P | 53.8 | Low | 59.5 | Low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | trans | -61.6 | 127.6 | -172.2 | 26.8 | -33.1 | 0 | 0 | 0 | 110.3 | T49 | P47-T49 PolarHBondContact O-N 3.38Š| ||
| 48 | S | 48.9 | Very low | 58.1 | Low | 127 Ų | 127 | 132.2 Ų | 132.2 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -38.3 | 114.8 | -178.4 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | G46 | G46-S48 PolarHBondContact O-N 3.38Š| ||
| 49 | T | 55.4 | Low | 56.4 | Low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -121.9 | 137.7 | 144.4 | -39.7 | 0 | 0 | 0 | 0 | 105.2 | P47 D51 | P47-T49 PolarHBondContact O-N 3.38Å; T49-D51 PolarHBondContact O-N 3.06Å | ||
| 50 | E | 53.8 | Low | 54.8 | Low | 194 Ų | 194 | 125.9 Ų | 125.9 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 82.9 | -162.5 | -172.4 | 174.8 | 83.8 | 0 | 0 | 113.7 | ||||
| 51 | D | 50.5 | Low | 54.1 | Low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -102.4 | 86.6 | 171.9 | -79.9 | -81.4 | 0 | 0 | 0 | 110.1 | T49 N53 | T49-D51 PolarHBondContact O-N 3.06Å; D51-N53 PolarHBondContact O-N 3.11Å | ||
| 52 | G | 47.7 | Very low | 53.2 | Low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -68.5 | 96.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 53 | N | 54.5 | Low | 52.9 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | trans | -93.9 | 73.4 | 154.4 | -170.4 | 34 | 0 | 0 | 0 | 109.1 | D51 | D51-N53 PolarHBondContact O-N 3.11Š| ||
| 54 | H | 50.9 | Low | 52.8 | Low | 151 Ų | 151 | 126.6 Ų | 126.6 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -112.4 | 101.3 | 176.3 | -165.5 | -83.4 | 0 | 0 | 0 | 110.1 | S56 | H54-S56 VanDerWaalsContact C-N 3.33Å; H54-S56 WeakPolarHBondContact ND1-CB 3.39Å; H54-S56 PolarHBondContact ND1-N 2.89Å; H54-S56 PolarHBondContact O-N 3.39Å | ||
| 55 | I | 56.9 | Low | 52.5 | Low | 154 Ų | 154 | 128.6 Ų | 128.6 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -76.9 | 89.9 | 166.6 | -60 | 159.3 | 0 | 0 | 0 | 106.5 | ||||
| 56 | S | 52.6 | Low | 52.3 | Low | 83 Ų | 83 | 121.6 Ų | 121.6 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 119.3 | 167.6 | 40.3 | 0 | 0 | 0 | 0 | 109.6 | H54 | H54-S56 VanDerWaalsContact C-N 3.33Å; H54-S56 WeakPolarHBondContact ND1-CB 3.39Å; H54-S56 PolarHBondContact ND1-N 2.89Å; H54-S56 PolarHBondContact O-N 3.39Å |
| 57 | F | 51.4 | Low | 51.9 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 116.5 | 168.5 | -167.5 | -92.1 | 0 | 0 | 0 | 108.7 | ||
| 58 | V | 57.6 | Low | 52 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 122.3 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 59 | S | 49.5 | Very low | 51.9 | Low | 80 Ų | 80 | 128.1 Ų | 128.1 | 56% | 0.559 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 142.7 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | G61 | S59-G61 PolarHBondContact O-N 2.96Š|
| 60 | P | 48.4 | Very low | 51.6 | Low | 134 Ų | 134 | 127.8 Ų | 127.8 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 106.8 | 178.4 | 30.7 | -30.4 | 0 | 0 | 0 | 108.2 | ||
| 61 | G | 52.6 | Low | 51.4 | Low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.5 | -5.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | S59 | S59-G61 PolarHBondContact O-N 2.96Š|
| 62 | G | 45.4 | Very low | 51 | Low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | trans | -102 | 105.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P64 | G62-P64 WeakPolarHBondContact O-CD 3.19Š| ||
| 63 | E | 54.5 | Low | 50.8 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -66 | 123.2 | 159.7 | -62.1 | 176.6 | 95.1 | 0 | 0 | 107.4 | D65 | E63-D65 PolarHBondContact O-N 3.31Å; E63-D65 VanDerWaalsContact O-N 3.12Å | ||
| 64 | P | 56.7 | Low | 50.5 | Low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -74.2 | 101.7 | 165.1 | 28.6 | -28.3 | 0 | 0 | 0 | 107.6 | G62 | G62-P64 WeakPolarHBondContact O-CD 3.19Š| ||
| 65 | D | 49.8 | Very low | 50.6 | Low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -52.4 | 147.5 | 171.1 | -159.4 | -120.5 | 0 | 0 | 0 | 110.9 | E63 | E63-D65 PolarHBondContact O-N 3.31Å; E63-D65 VanDerWaalsContact O-N 3.12Å | ||
| 66 | A | 48.5 | Very low | 50.1 | Low | 77 Ų | 77 | 136.9 Ų | 136.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -58.8 | 174.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 67 | D | 50.2 | Low | 49.7 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | trans | 85.5 | 78.2 | 169.9 | -79.1 | -92.9 | 0 | 0 | 0 | 118.1 | ||||
| 68 | L | 56.7 | Low | 49.2 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | -134.9 | 88.8 | 138.4 | -73.7 | -179.8 | 0 | 0 | 0 | 110.7 | ||||
| 69 | I | 46.9 | Very low | 48.8 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | trans | -47.1 | 135.5 | 165.6 | -66.2 | 154.1 | 0 | 0 | 0 | 111.8 | ||||
| 70 | S | 48.9 | Very low | 48.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | 174.5 | 104 | 127.9 | -74 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 71 | K | 48.6 | Very low | 48.4 | Very low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -100.4 | 151 | 151.7 | -93.3 | -163.9 | 174 | -172.8 | 0 | 106.9 | ||||
| 72 | P | 43.6 | Very low | 48.2 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -157.6 | 174.5 | 67.2 | 38.5 | -16.1 | 0 | 0 | 0 | 116.8 | |||||
| 73 | H | 42.2 | Very low | 48.1 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 163.3 | 104.4 | 149.5 | -163.6 | 58.3 | 0 | 0 | 0 | 108.8 | ||||
| 74 | E | 48.3 | Very low | 47.6 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 75.1 | 148.3 | 75.8 | -74.9 | -166.1 | 109.4 | 0 | 0 | 117.4 | |||||
| 75 | E | 54.3 | Low | 47 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 95.9 | 109.3 | 178.5 | -149.9 | 176.6 | 132.2 | 0 | 0 | 115.9 | ||||
| 76 | M | 46 | Very low | 46.6 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 95% | 0.946 | 80% | 0.803 | S | S | * | * | cis | 102.9 | 122.4 | 31.9 | -165.9 | 175 | -90 | 0 | 0 | 113.3 | ||||
| 77 | G | 42.7 | Very low | 46.5 | Very low | 70 Ų | 70 | 152.5 Ų | 152.5 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 122.8 | 88.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 78 | N | 42.5 | Very low | 45.8 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | 83.9 | 122.6 | 83.3 | -163.8 | 34.9 | 0 | 0 | 0 | 114.5 | |||||
| 79 | E | 48.7 | Very low | 45.1 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | 159.2 | 103 | 128.7 | -82 | 179.5 | 95.2 | 0 | 0 | 114.2 | |||||
| 80 | Q | 45.8 | Very low | 44.8 | Very low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | 26.8 | 131 | 147.7 | -70.8 | 173.6 | 1.4 | 0 | 0 | 125.3 | ||||
| 81 | E | 43 | Very low | 44.8 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -68.6 | 165.5 | 160 | -104.5 | -172.3 | 100.5 | 0 | 0 | 113.6 | ||||
| 82 | P | 48.2 | Very low | 45.1 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | -159 | -163.5 | 88.2 | 45.5 | -22.9 | 0 | 0 | 0 | 115 | |||||
| 83 | P | 44.5 | Very low | 45.2 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | -113.1 | 162.9 | -96.7 | 35.2 | -17.4 | 0 | 0 | 0 | 112.4 | |||||
| 84 | T | 43.8 | Very low | 45.7 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -155.4 | 121.2 | 155.4 | -5.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 85 | K | 44.5 | Very low | 45.5 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -57.2 | 145.9 | 164.7 | -74.3 | 172.8 | 170.7 | 179.1 | 0 | 110.8 | ||||
| 86 | G | 41.4 | Very low | 45.6 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 167 | 97.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G88 | G86-G88 PolarHBondContact O-N 2.86Š| ||
| 87 | E | 45.2 | Very low | 46.2 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -61.2 | 120.9 | -176.6 | -71.3 | 162.2 | 83.6 | 0 | 0 | 112.9 | ||||
| 88 | G | 36.6 | Very low | 47 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | 69.1 | 69.5 | 124 | 0 | 0 | 0 | 0 | 0 | 119.3 | G86 | G86-G88 PolarHBondContact O-N 2.86Š| |||
| 89 | T | 42.5 | Very low | 48.1 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 63% | 0.632 | 79% | 0.787 | S | S | * | * | trans | -148.2 | 134.4 | 160.1 | -28.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 90 | E | 39.7 | Very low | 48.7 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 44.3 | 115.2 | 147.8 | 64.6 | -157.9 | 33.6 | 0 | 0 | 120.9 | ||||
| 91 | N | 48.8 | Very low | 49.5 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -137 | 111.3 | 154.8 | -83.1 | -77.1 | 0 | 0 | 0 | 111.1 | ||||
| 92 | E | 54.5 | Low | 50.5 | Low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -62.5 | 163.1 | 164.1 | -105.3 | -177.8 | 75.2 | 0 | 0 | 112.1 | ||||
| 93 | P | 46.7 | Very low | 51 | Low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | -80.5 | 130.4 | -157.8 | 32 | -33.9 | 0 | 0 | 0 | 113.1 | E95 | P93-E95 PolarHBondContact O-N 2.83Š| ||
| 94 | A | 51.7 | Low | 51.8 | Low | 93 Ų | 93 | 129.5 Ų | 129.5 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -71.6 | 108.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V96 | A94-V96 PolarHBondContact O-N 3.09Š| ||
| 95 | E | 44.9 | Very low | 52.9 | Low | 152 Ų | 152 | 127.1 Ų | 127.1 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | trans | -65.1 | 97.4 | 172.7 | -172.1 | 168.2 | 103.5 | 0 | 0 | 110 | P93 H97 | P93-E95 PolarHBondContact O-N 2.83Å; E95-H97 PolarHBondContact O-N 2.87Å; E95-H97 VanDerWaalsContact O-N 3.13Å; E95-H97 IonicContact OE1-CE1 2.94Å; E95-H97 PolarHBondContact OE1-CE1 3.46Å; E95-H97 IonicContact OE1-ND1 3.87Å; E95-H97 IonicContact OE1-NE2 3.15Å; E95-H97 PolarHBondContact OE1-NE2 2.92Å; E95-H97 VanDerWaalsContact OE1-NE2 3.15Å | ||
| 96 | V | 57.1 | Low | 53.9 | Low | 134 Ų | 134 | 123.9 Ų | 123.9 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -77.6 | 93.4 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | A94 | A94-V96 PolarHBondContact O-N 3.09Š| ||
| 97 | H | 58 | Low | 54.9 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 61% | 0.606 | 70% | 0.699 | S | S | * | * | trans | -59.5 | 128.9 | 172.5 | -73.1 | -79.4 | 0 | 0 | 0 | 110.2 | E95 T99 | E95-H97 PolarHBondContact O-N 2.87Å; E95-H97 VanDerWaalsContact O-N 3.13Å; E95-H97 IonicContact OE1-CE1 2.94Å; E95-H97 PolarHBondContact OE1-CE1 3.46Å; E95-H97 IonicContact OE1-ND1 3.87Å; E95-H97 IonicContact OE1-NE2 3.15Å; E95-H97 PolarHBondContact OE1-NE2 2.92Å; E95-H97 VanDerWaalsContact OE1-NE2 3.15Å; H97-T99 PolarHBondContact O-N 3.05Å; H97-T99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | P | 58.6 | Low | 55.7 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | trans | -63 | 117.6 | 172.9 | 25.8 | -31.4 | 0 | 0 | 0 | 107.9 | D100 | P98-D100 VanDerWaalsContact C-N 3.35Å; P98-D100 PolarHBondContact O-N 3.3Å | ||
| 99 | T | 65 | Low | 56.8 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -67 | 100.5 | 170.1 | -57.9 | 0 | 0 | 0 | 0 | 106.8 | H97 A101 | H97-T99 PolarHBondContact O-N 3.05Å; H97-T99 VanDerWaalsContact O-N 3.09Å; T99-A101 PolarHBondContact O-N 3.26Å | ||
| 100 | D | 62.7 | Low | 57.8 | Low | 96 Ų | 96 | 125.2 Ų | 125.2 | 51% | 0.513 | 68% | 0.676 | S | S | . | * | trans | -57 | 130 | 179 | -173.5 | -83.4 | 0 | 0 | 0 | 109.5 | P98 R102 S103 | P98-D100 VanDerWaalsContact C-N 3.35Å; P98-D100 PolarHBondContact O-N 3.3Å; D100-R102 PolarHBondContact O-N 2.89Å; D100-R102 WeakPolarHBondContact OD1-CA 3.32Å; D100-R102 WeakPolarHBondContact OD1-CB 3.45Å; D100-R102 WeakPolarHBondContact OD1-CG 3.29Å; D100-R102 PolarHBondContact OD1-N 3.1Å; D100-S103 WeakPolarHBondContact O-CB 3.42Å; D100-S103 PolarHBondContact O-N 3.32Å | ||
| 101 | A | 63.1 | Low | 58.8 | Low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -55.8 | -22.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T99 L104 L105 | T99-A101 PolarHBondContact O-N 3.26Å; A101-L104 PolarHBondContact O-N 3.06Å; A101-L105 WeakPolarHBondContact O-CB 3.28Å; A101-L105 PolarHBondContact O-N 3.18Å |
| 102 | R | 62.4 | Low | 59.2 | Low | 198 Ų | 198 | 124.2 Ų | 124.2 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.2 | -32.8 | 173.3 | -59.6 | 174.1 | 121.9 | 175.5 | -0.4 | 112.5 | D100 L104 L105 M106 | D100-R102 PolarHBondContact O-N 2.89Å; D100-R102 WeakPolarHBondContact OD1-CA 3.32Å; D100-R102 WeakPolarHBondContact OD1-CB 3.45Å; D100-R102 WeakPolarHBondContact OD1-CG 3.29Å; D100-R102 PolarHBondContact OD1-N 3.1Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L105 PolarHBondContact O-N 3.28Å; R102-M106 WeakPolarHBondContact O-CG 3.3Å; R102-M106 PolarHBondContact O-N 3.13Å |
| 103 | S | 59.4 | Low | 59.3 | Low | 61 Ų | 61 | 121.9 Ų | 121.9 | 43% | 0.427 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.6 | -30.6 | 177.8 | -161 | 0 | 0 | 0 | 0 | 111.9 | D100 R107 | D100-S103 WeakPolarHBondContact O-CB 3.42Å; D100-S103 PolarHBondContact O-N 3.32Å; S103-R107 PolarHBondContact O-N 3.17Å |
| 104 | L | 61.3 | Low | 60 | Low | 99 Ų | 99 | 122.4 Ų | 122.4 | 52% | 0.518 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -74.6 | -39.9 | 173.7 | -165.5 | 67.4 | 0 | 0 | 0 | 111.3 | A101 R102 M106 R107 N108 | A101-L104 PolarHBondContact O-N 3.06Å; R102-L104 VanDerWaalsContact C-N 3.33Å; L104-M106 PolarHBondContact O-N 2.92Å; L104-R107 PolarHBondContact O-N 2.81Å; L104-N108 PolarHBondContact O-N 2.79Å |
| 105 | L | 67.3 | Low | 59.8 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -63.2 | -40 | 176.7 | -169.6 | 63.5 | 0 | 0 | 0 | 112.3 | A101 R102 N108 M109 | A101-L105 WeakPolarHBondContact O-CB 3.28Å; A101-L105 PolarHBondContact O-N 3.18Å; R102-L105 PolarHBondContact O-N 3.28Å; L105-N108 PolarHBondContact O-N 3.15Å; L105-M109 HydrophobicContact CD1-CE 3.67Å; L105-M109 HydrophobicContact CD2-CE 3.86Å; L105-M109 HydrophobicContact CG-CE 3.52Å; L105-M109 HydrophobicContact CG-SD 4.36Å; L105-M109 WeakPolarHBondContact O-CG 3.04Å; L105-M109 PolarHBondContact O-N 3.1Å |
| 106 | M | 65.7 | Low | 60.6 | Low | 146 Ų | 146 | 126 Ų | 126 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.7 | -33.7 | 176.6 | -73 | -112.1 | -92 | 0 | 0 | 113.1 | R102 L104 N108 A110 | R102-M106 WeakPolarHBondContact O-CG 3.3Å; R102-M106 PolarHBondContact O-N 3.13Å; L104-M106 PolarHBondContact O-N 2.92Å; M106-N108 VanDerWaalsContact C-N 3.35Å; M106-A110 PolarHBondContact O-N 3.05Å |
| 107 | R | 62.3 | Low | 60.8 | Low | 166 Ų | 166 | 125.5 Ų | 125.5 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.5 | -37.9 | 173.6 | -90.5 | 179.7 | 170.8 | 134.4 | -2.5 | 112.2 | S103 L104 | S103-R107 PolarHBondContact O-N 3.17Å; L104-R107 PolarHBondContact O-N 2.81Å |
| 108 | N | 60.9 | Low | 60.9 | Low | 105 Ų | 105 | 125.2 Ų | 125.2 | 56% | 0.561 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.6 | -29.2 | -179.6 | -68.4 | -13.7 | 0 | 0 | 0 | 112.9 | L104 L105 M106 | L104-N108 PolarHBondContact O-N 2.79Å; L105-N108 PolarHBondContact O-N 3.15Å; M106-N108 VanDerWaalsContact C-N 3.35Å |
| 109 | M | 60.6 | Low | 61.1 | Low | 130 Ų | 130 | 125.6 Ų | 125.6 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -78 | -18.2 | 176.9 | -67.2 | 177.5 | -179.6 | 0 | 0 | 113.8 | L105 | L105-M109 HydrophobicContact CD1-CE 3.67Å; L105-M109 HydrophobicContact CD2-CE 3.86Å; L105-M109 HydrophobicContact CG-CE 3.52Å; L105-M109 HydrophobicContact CG-SD 4.36Å; L105-M109 WeakPolarHBondContact O-CG 3.04Å; L105-M109 PolarHBondContact O-N 3.1Å |
| 110 | A | 63.4 | Low | 60.8 | Low | 80 Ų | 80 | 126.6 Ų | 126.6 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -5.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M106 | M106-A110 PolarHBondContact O-N 3.05Š|
| 111 | L | 61 | Low | 60.7 | Low | 144 Ų | 144 | 128.7 Ų | 128.7 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -98.9 | 1.6 | -172 | -105.4 | 124.7 | 0 | 0 | 0 | 115.2 | ||
| 112 | E | 56.5 | Low | 60.5 | Low | 173 Ų | 173 | 132.2 Ų | 132.2 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -116.9 | 77.5 | -178.8 | -65.9 | -170 | 98.9 | 0 | 0 | 111.9 | ||||
| 113 | V | 57.5 | Low | 60.4 | Low | 135 Ų | 135 | 127.2 Ų | 127.2 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -146.5 | 104.1 | 159.1 | -151.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 114 | T | 59.8 | Low | 60.4 | Low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -160.8 | 139.3 | 165.3 | -1.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 115 | P | 49.2 | Very low | 60.4 | Low | 193 Ų | 193 | 135.7 Ų | 135.7 | 100% | 1.253 | 74% | 0.738 | S | S | * | * | -94.4 | 0 | 53.9 | 33.3 | -37.8 | 0 | 0 | 0 | 116.4 |
Retrieved 115 of 115 residues in 108.3 ms
(Link to these results)