| 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 | 36.9 | Very low | 73.2 | Confident | 235 Ų | 235 | 132.4 Ų | 132.4 | 100% | 1.158 | 66% | 0.662 | S | S | * | * | 0 | 95.4 | 0 | -159.3 | 179.3 | -78.9 | 0 | 0 | 106.1 | Q3 | M1-Q3 PolarHBondContact O-N 2.96Š| |||
| 2 | E | 43.4 | Very low | 74.8 | Confident | 184 Ų | 184 | 123.9 Ų | 123.9 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | trans | -73.9 | 104.1 | -175.4 | -167.3 | -176.7 | 154.6 | 0 | 0 | 108.4 | T4 | E2-T4 PolarHBondContact O-N 2.75Š| ||
| 3 | Q | 45.5 | Very low | 76.3 | Confident | 181 Ų | 181 | 115.1 Ų | 115.1 | 85% | 0.846 | 59% | 0.592 | S | S | * | * | trans | -66.7 | 105.3 | 175.8 | -89.7 | 157.9 | -3.9 | 0 | 0 | 108.6 | M1 Y5 | M1-Q3 PolarHBondContact O-N 2.96Å; Q3-Y5 PolarHBondContact O-N 2.94Å | ||
| 4 | T | 56.1 | Low | 77.6 | Confident | 116 Ų | 116 | 113.3 Ų | 113.3 | 71% | 0.712 | 59% | 0.588 | S | S | * | * | trans | -63.5 | 98.6 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 108.2 | E2 G6 | E2-T4 PolarHBondContact O-N 2.75Å; T4-G6 PolarHBondContact O-N 3.43Å | ||
| 5 | Y | 71.2 | Confident | 78.7 | Confident | 194 Ų | 194 | 110 Ų | 110 | 76% | 0.761 | 57% | 0.568 | S | S | * | * | trans | -75.4 | 105.9 | 175.6 | -171.7 | -95 | 0 | 0 | 0 | 108.8 | Q3 V16 | Q3-Y5 PolarHBondContact O-N 2.94Å; Y5-V16 HydrophobicContact CD1-CG1 4.03Å; Y5-V16 HydrophobicContact CD1-CG2 4.24Å; Y5-V16 HydrophobicContact CE1-CG1 3.71Å; Y5-V16 WeakPolarHBondContact O-CG2 3.49Å | ||
| 6 | G | 84 | Confident | 79.7 | Confident | 34 Ų | 34 | 105.8 Ų | 105.8 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | trans | 176.6 | 144.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T4 F15 | T4-G6 PolarHBondContact O-N 3.43Å; G6-F15 CarbonylContact C-O 3.23Å; G6-F15 VanDerWaalsContact CA-O 3.28Å; G6-F15 WeakPolarHBondContact CA-O 3.32Å | ||
| 7 | E | 91.6 | Very high | 80.4 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 155 | 170.7 | -70.3 | 171.4 | -140.9 | 0 | 0 | 109.7 | V14 F15 N17 | E7-V14 CarbonylContact O-C 3.59Å; E7-V14 WeakPolarHBondContact O-CA 3.26Å; E7-F15 HydrophobicContact CB-CD1 4.24Å; E7-F15 HydrophobicContact CB-CE1 3.62Å; E7-F15 HydrophobicContact CB-CE2 4.39Å; E7-F15 HydrophobicContact CB-CZ 3.71Å; E7-F15 PolarHBondContact N-O 2.54Å; E7-F15 WeakPolarHBondContact O-CD1 3.49Å; E7-F15 PolarHBondContact O-N 2.88Å; E7-N17 PolarHBondContact OE1-ND2 3.16Å; E7-N17 PolarHBondContact OE2-ND2 3.27Å |
| 8 | V | 94.5 | Very high | 80.9 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.4 | 176.4 | -179 | 0 | 0 | 0 | 0 | 108.8 | G13 V14 | V8-G13 WeakPolarHBondContact CA-O 2.84Å; V8-V14 HydrophobicContact CG2-CG2 4.4Å |
| 9 | N | 94.1 | Very high | 81.5 | Confident | 38 Ų | 38 | 108.3 Ų | 108.3 | 20% | 0.203 | 57% | 0.569 | C | S | . | * | trans | -79.6 | 174.8 | 176.2 | 69.3 | 28.6 | 0 | 0 | 0 | 111.9 | L11 G12 G13 F15 R47 | N9-L11 PolarHBondContact O-N 2.91Å; N9-L11 VanDerWaalsContact O-N 3.08Å; N9-L11 WeakPolarHBondContact OD1-CA 3.38Å; N9-L11 WeakPolarHBondContact OD1-CB 3.41Å; N9-L11 PolarHBondContact OD1-N 3.07Å; N9-G12 PolarHBondContact O-N 3.37Å; N9-G12 PolarHBondContact OD1-N 3.36Å; N9-G12 VanDerWaalsContact OD1-N 3.11Å; N9-G13 VanDerWaalsContact CG-O 3.3Å; N9-G13 PolarHBondContact N-O 3.26Å; N9-G13 PolarHBondContact ND2-O 2.87Å; N9-G13 PolarHBondContact OD1-N 3.32Å; N9-G13 PolarHBondContact OD1-O 3.5Å; N9-F15 HydrophobicContact CB-CD1 3.98Å; N9-F15 HydrophobicContact CB-CE1 3.9Å; N9-R47 PolarHBondContact ND2-O 3.25Å | ||
| 10 | Q | 94.6 | Very high | 82.2 | Confident | 205 Ų | 205 | 106 Ų | 106 | 96% | 0.958 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -18.4 | 179.5 | -65.4 | 174.8 | -7.2 | 0 | 0 | 114.5 | G12 | Q10-G12 VanDerWaalsContact C-N 3.33Š|
| 11 | L | 93.2 | Very high | 82.9 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.5 | 176.8 | -60 | 170.5 | 0 | 0 | 0 | 112 | N9 R47 V48 | N9-L11 PolarHBondContact O-N 2.91Å; N9-L11 VanDerWaalsContact O-N 3.08Å; N9-L11 WeakPolarHBondContact OD1-CA 3.38Å; N9-L11 WeakPolarHBondContact OD1-CB 3.41Å; N9-L11 PolarHBondContact OD1-N 3.07Å; L11-R47 HydrophobicContact CB-CB 4.19Å; L11-R47 WeakPolarHBondContact O-CB 3.49Å; L11-R47 WeakPolarHBondContact O-CD 3.05Å; L11-R47 VanDerWaalsContact O-CG 3.3Å; L11-R47 WeakPolarHBondContact O-CG 3.17Å; L11-V48 VanDerWaalsContact CD1-O 3.31Å; L11-V48 WeakPolarHBondContact CD1-O 3.09Å |
| 12 | G | 92.8 | Very high | 85.7 | Confident | 31 Ų | 31 | 95 Ų | 95 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 76.5 | 20.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | N9 Q10 R47 | N9-G12 PolarHBondContact O-N 3.37Å; N9-G12 PolarHBondContact OD1-N 3.36Å; N9-G12 VanDerWaalsContact OD1-N 3.11Å; Q10-G12 VanDerWaalsContact C-N 3.33Å; G12-R47 WeakPolarHBondContact O-CD 3.25Å; G12-R47 PolarHBondContact O-NH1 3.17Å |
| 13 | G | 93.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 89.7 Ų | 89.7 | 9% | 0.093 | 49% | 0.488 | C | S | . | . | trans | -98.5 | 140.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V8 N9 R47 | V8-G13 WeakPolarHBondContact CA-O 2.84Å; N9-G13 VanDerWaalsContact CG-O 3.3Å; N9-G13 PolarHBondContact N-O 3.26Å; N9-G13 PolarHBondContact ND2-O 2.87Å; N9-G13 PolarHBondContact OD1-N 3.32Å; N9-G13 PolarHBondContact OD1-O 3.5Å; G13-R47 WeakPolarHBondContact CA-O 3.46Å | ||
| 14 | V | 94.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 84.5 Ų | 84.5 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 133.6 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | E7 V8 | E7-V14 CarbonylContact O-C 3.59Å; E7-V14 WeakPolarHBondContact O-CA 3.26Å; V8-V14 HydrophobicContact CG2-CG2 4.4Å |
| 15 | F | 94.4 | Very high | 92.6 | Very high | 64 Ų | 64 | 81.7 Ų | 81.7 | 28% | 0.281 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 165.7 | 176.7 | 74.8 | -76.3 | 0 | 0 | 0 | 111.7 | G6 E7 N9 N17 | G6-F15 CarbonylContact C-O 3.23Å; G6-F15 VanDerWaalsContact CA-O 3.28Å; G6-F15 WeakPolarHBondContact CA-O 3.32Å; E7-F15 HydrophobicContact CB-CD1 4.24Å; E7-F15 HydrophobicContact CB-CE1 3.62Å; E7-F15 HydrophobicContact CB-CE2 4.39Å; E7-F15 HydrophobicContact CB-CZ 3.71Å; E7-F15 PolarHBondContact N-O 2.54Å; E7-F15 WeakPolarHBondContact O-CD1 3.49Å; E7-F15 PolarHBondContact O-N 2.88Å; N9-F15 HydrophobicContact CB-CD1 3.98Å; N9-F15 HydrophobicContact CB-CE1 3.9Å; F15-N17 WeakPolarHBondContact CE2-OD1 3.43Å |
| 16 | V | 94.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.255 | 42% | 0.422 | S | S | . | . | trans | -121.9 | 121.2 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 109 | Y5 G18 R19 | Y5-V16 HydrophobicContact CD1-CG1 4.03Å; Y5-V16 HydrophobicContact CD1-CG2 4.24Å; Y5-V16 HydrophobicContact CE1-CG1 3.71Å; Y5-V16 WeakPolarHBondContact O-CG2 3.49Å; V16-G18 PolarHBondContact O-N 3.07Å; V16-R19 HydrophobicContact CB-CB 4.1Å; V16-R19 HydrophobicContact CB-CG 4.33Å; V16-R19 HydrophobicContact CG1-CB 4.17Å; V16-R19 HydrophobicContact CG1-CG 3.85Å; V16-R19 PolarHBondContact O-N 3.03Å; V16-R19 VanDerWaalsContact O-N 3.16Å | ||
| 17 | N | 91.5 | Very high | 94.5 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.3 | 178.6 | -93.9 | -41.6 | 0 | 0 | 0 | 111.6 | E7 F15 R19 | E7-N17 PolarHBondContact OE1-ND2 3.16Å; E7-N17 PolarHBondContact OE2-ND2 3.27Å; F15-N17 WeakPolarHBondContact CE2-OD1 3.43Å; N17-R19 PolarHBondContact O-N 3.15Å |
| 18 | G | 89.8 | Confident | 94.8 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -3.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V16 | V16-G18 PolarHBondContact O-N 3.07Š|
| 19 | R | 92.9 | Very high | 95 | Very high | 188 Ų | 188 | 69.8 Ų | 69.8 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -105.7 | 145.7 | 176.5 | -65.4 | -166 | 179.3 | -124.6 | -0.4 | 111.8 | V16 N17 | V16-R19 HydrophobicContact CB-CB 4.1Å; V16-R19 HydrophobicContact CB-CG 4.33Å; V16-R19 HydrophobicContact CG1-CB 4.17Å; V16-R19 HydrophobicContact CG1-CG 3.85Å; V16-R19 PolarHBondContact O-N 3.03Å; V16-R19 VanDerWaalsContact O-N 3.16Å; N17-R19 PolarHBondContact O-N 3.15Å |
| 20 | P | 95.5 | Very high | 95.2 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150.1 | 174.7 | 28.8 | -33.1 | 0 | 0 | 0 | 110.5 | P68 I71 | P20-P68 HydrophobicContact CB-CB 3.56Å; P20-P68 HydrophobicContact CB-CG 3.8Å; P20-P68 HydrophobicContact CG-CB 4.17Å; P20-P68 HydrophobicContact CG-CG 3.97Å; P20-I71 HydrophobicContact CB-CD1 4.38Å; P20-I71 HydrophobicContact CG-CD1 4.34Å |
| 21 | L | 95.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -57 | 140.9 | 174.6 | -167.6 | 69.4 | 0 | 0 | 0 | 110.5 | I25 R26 I29 V48 I56 | L21-I25 HydrophobicContact CD1-CG2 4.45Å; L21-I25 HydrophobicContact CD2-CB 4Å; L21-I25 HydrophobicContact CD2-CG2 3.57Å; L21-I25 HydrophobicContact CG-CB 4.07Å; L21-I25 HydrophobicContact CG-CG2 4.08Å; L21-R26 HydrophobicContact CB-CG 4.03Å; L21-R26 HydrophobicContact CD2-CG 4.22Å; L21-R26 HydrophobicContact CG-CG 4.38Å; L21-R26 WeakPolarHBondContact O-CD 3.4Å; L21-I29 HydrophobicContact CD2-CD1 3.87Å; L21-V48 HydrophobicContact CD1-CG2 4.21Å; L21-V48 HydrophobicContact CD2-CG1 4.04Å; L21-V48 HydrophobicContact CD2-CG2 4.01Å; L21-I56 HydrophobicContact CD2-CD1 3.93Å |
| 22 | P | 95.5 | Very high | 95.6 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 141.4 | 179.5 | -29 | 36.2 | 0 | 0 | 0 | 112.7 | A24 I25 R26 | P22-A24 VanDerWaalsContact C-N 3.27Å; P22-A24 PolarHBondContact O-N 3.04Å; P22-I25 HydrophobicContact CB-CG1 4.4Å; P22-I25 PolarHBondContact O-N 3.42Å; P22-R26 WeakPolarHBondContact O-CG 3.15Å; P22-R26 PolarHBondContact O-N 3.48Å; P22-R26 VanDerWaalsContact O-N 3.15Å |
| 23 | N | 96.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | -172.9 | -162.8 | 57.5 | 0 | 0 | 0 | 113.2 | I25 R26 L27 I66 | N23-I25 VanDerWaalsContact C-N 3.31Å; N23-I25 PolarHBondContact O-N 2.94Å; N23-R26 PolarHBondContact O-N 3.37Å; N23-R26 VanDerWaalsContact O-N 3.17Å; N23-L27 WeakPolarHBondContact O-CG 3.49Å; N23-L27 PolarHBondContact O-N 3.29Å; N23-I66 WeakPolarHBondContact OD1-CD1 3.38Å |
| 24 | A | 96.4 | Very high | 96 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 60% | 0.595 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.9 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P22 R28 | P22-A24 VanDerWaalsContact C-N 3.27Å; P22-A24 PolarHBondContact O-N 3.04Å; A24-R28 WeakPolarHBondContact O-CB 3.04Å; A24-R28 PolarHBondContact O-N 3.19Å |
| 25 | I | 97.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 67 Ų | 67 | 29% | 0.292 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.4 | -37.2 | 178.1 | -53.9 | -60.9 | 0 | 0 | 0 | 110.7 | L21 P22 N23 R28 I29 L46 V48 | L21-I25 HydrophobicContact CD1-CG2 4.45Å; L21-I25 HydrophobicContact CD2-CB 4Å; L21-I25 HydrophobicContact CD2-CG2 3.57Å; L21-I25 HydrophobicContact CG-CB 4.07Å; L21-I25 HydrophobicContact CG-CG2 4.08Å; P22-I25 HydrophobicContact CB-CG1 4.4Å; P22-I25 PolarHBondContact O-N 3.42Å; N23-I25 VanDerWaalsContact C-N 3.31Å; N23-I25 PolarHBondContact O-N 2.94Å; I25-R28 PolarHBondContact O-N 3.18Å; I25-I29 HydrophobicContact CG2-CD1 4.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 3.19Å; I25-L46 HydrophobicContact CG2-CD1 4.29Å; I25-V48 HydrophobicContact CG2-CG2 3.81Å |
| 26 | R | 98.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.045 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.7 | -62.9 | 174.6 | 60.7 | 89.6 | 0.4 | 111.7 | L21 P22 N23 I29 V30 I56 I66 L67 | L21-R26 HydrophobicContact CB-CG 4.03Å; L21-R26 HydrophobicContact CD2-CG 4.22Å; L21-R26 HydrophobicContact CG-CG 4.38Å; L21-R26 WeakPolarHBondContact O-CD 3.4Å; P22-R26 WeakPolarHBondContact O-CG 3.15Å; P22-R26 PolarHBondContact O-N 3.48Å; P22-R26 VanDerWaalsContact O-N 3.15Å; N23-R26 PolarHBondContact O-N 3.37Å; N23-R26 VanDerWaalsContact O-N 3.17Å; R26-I29 PolarHBondContact O-N 2.84Å; R26-V30 PolarHBondContact O-N 2.68Å; R26-I56 HydrophobicContact CG-CD1 3.92Å; R26-I66 PolarHBondContact NE-O 3.28Å; R26-I66 PolarHBondContact NH2-O 3.49Å; R26-L67 PolarHBondContact NH2-O 3.16Å |
| 27 | L | 97.9 | Very high | 96.5 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 171.6 | -75.2 | 167.3 | 0 | 0 | 0 | 110.8 | N23 I29 V30 E31 I66 | N23-L27 WeakPolarHBondContact O-CG 3.49Å; N23-L27 PolarHBondContact O-N 3.29Å; L27-I29 VanDerWaalsContact C-N 3.27Å; L27-I29 PolarHBondContact O-N 3.49Å; L27-V30 PolarHBondContact O-N 2.98Å; L27-E31 WeakPolarHBondContact O-CG 3.41Å; L27-E31 PolarHBondContact O-N 3.16Å; L27-I66 HydrophobicContact CD2-CB 4.38Å; L27-I66 HydrophobicContact CD2-CD1 3.91Å; L27-I66 HydrophobicContact CD2-CG1 3.74Å; L27-I66 HydrophobicContact CD2-CG2 4.27Å; L27-I66 HydrophobicContact CG-CD1 4.09Å; L27-I66 HydrophobicContact CG-CG1 4.37Å |
| 28 | R | 98.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 70.8 Ų | 70.8 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.2 | -35.7 | -178.9 | -170.1 | 56.5 | 175.4 | 174.3 | 1.7 | 113.5 | A24 I25 V30 E31 L32 L46 | A24-R28 WeakPolarHBondContact O-CB 3.04Å; A24-R28 PolarHBondContact O-N 3.19Å; I25-R28 PolarHBondContact O-N 3.18Å; R28-V30 VanDerWaalsContact C-N 3.34Å; R28-E31 VanDerWaalsContact CD-OE2 3.23Å; R28-E31 WeakPolarHBondContact CD-OE2 3.41Å; R28-E31 IonicContact CZ-OE2 2.87Å; R28-E31 IonicContact NE-OE2 3.83Å; R28-E31 IonicContact NH1-OE2 3.99Å; R28-E31 PolarHBondContact NH1-OE2 3.04Å; R28-L32 HydrophobicContact CG-CD1 4.08Å; R28-L32 HydrophobicContact CG-CG 4.38Å; R28-L32 VanDerWaalsContact O-CG 3.24Å; R28-L32 WeakPolarHBondContact O-CG 3.32Å; R28-L32 PolarHBondContact O-N 3.49Å; R28-L46 HydrophobicContact CB-CD1 4.25Å; R28-L46 HydrophobicContact CB-CD2 4.49Å; R28-L46 HydrophobicContact CG-CD1 4.07Å; R28-L46 HydrophobicContact CG-CD2 3.7Å |
| 29 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 173.7 | -73.8 | 165.2 | 0 | 0 | 0 | 111 | L21 I25 R26 L27 A33 I42 L46 V48 V53 I56 L57 | L21-I29 HydrophobicContact CD2-CD1 3.87Å; I25-I29 HydrophobicContact CG2-CD1 4.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 3.19Å; R26-I29 PolarHBondContact O-N 2.84Å; L27-I29 VanDerWaalsContact C-N 3.27Å; L27-I29 PolarHBondContact O-N 3.49Å; I29-A33 PolarHBondContact O-N 3.44Å; I29-I42 HydrophobicContact CB-CG2 4.39Å; I29-I42 HydrophobicContact CG1-CG2 4.04Å; I29-I42 HydrophobicContact CG2-CG2 4.38Å; I29-L46 HydrophobicContact CB-CD1 4.42Å; I29-L46 HydrophobicContact CD1-CD1 4.48Å; I29-L46 HydrophobicContact CG1-CD1 3.45Å; I29-L46 VanDerWaalsContact CG1-CD1 3.45Å; I29-V48 HydrophobicContact CD1-CG1 4.46Å; I29-V53 HydrophobicContact CD1-CG2 4.2Å; I29-V53 HydrophobicContact CG1-CG2 4.44Å; I29-V53 HydrophobicContact CG2-CG1 3.97Å; I29-I56 HydrophobicContact CB-CG2 4.49Å; I29-I56 HydrophobicContact CD1-CD1 3.56Å; I29-I56 HydrophobicContact CG2-CB 4.4Å; I29-I56 HydrophobicContact CG2-CG2 4.05Å; I29-L57 HydrophobicContact CG2-CD2 3.81Å; I29-L57 HydrophobicContact CG2-CG 3.95Å |
| 30 | V | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.4 | -44.3 | -179.4 | 174.2 | 0 | 0 | 0 | 0 | 111 | R26 L27 R28 L32 A33 Q34 I56 L57 Y60 I66 | R26-V30 PolarHBondContact O-N 2.68Å; L27-V30 PolarHBondContact O-N 2.98Å; R28-V30 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 3.07Å; V30-A33 PolarHBondContact O-N 3.15Å; V30-Q34 HydrophobicContact CG1-CG 4.38Å; V30-Q34 WeakPolarHBondContact O-CG 3Å; V30-Q34 PolarHBondContact O-N 3.41Å; V30-I56 HydrophobicContact CG2-CG2 4.32Å; V30-L57 HydrophobicContact CG2-CD2 4.39Å; V30-Y60 HydrophobicContact CG1-CD1 3.74Å; V30-Y60 HydrophobicContact CG1-CD2 3.99Å; V30-Y60 HydrophobicContact CG1-CE1 3.48Å; V30-Y60 VanDerWaalsContact CG1-CE1 3.48Å; V30-Y60 HydrophobicContact CG1-CE2 3.76Å; V30-Y60 HydrophobicContact CG1-CG 3.97Å; V30-Y60 VanDerWaalsContact CG1-CZ 3.5Å; V30-Y60 HydrophobicContact CG2-CD1 4.27Å; V30-Y60 HydrophobicContact CG2-CD2 3.96Å; V30-Y60 HydrophobicContact CG2-CG 3.82Å; V30-I66 HydrophobicContact CB-CG2 4.48Å; V30-I66 HydrophobicContact CG2-CG2 3.82Å |
| 31 | E | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -50 | 176.5 | -72 | 172.8 | -176.4 | 0 | 0 | 111.9 | L27 R28 A33 Q34 L35 | L27-E31 WeakPolarHBondContact O-CG 3.41Å; L27-E31 PolarHBondContact O-N 3.16Å; R28-E31 VanDerWaalsContact CD-OE2 3.23Å; R28-E31 WeakPolarHBondContact CD-OE2 3.41Å; R28-E31 IonicContact CZ-OE2 2.87Å; R28-E31 IonicContact NE-OE2 3.83Å; R28-E31 IonicContact NH1-OE2 3.99Å; R28-E31 PolarHBondContact NH1-OE2 3.04Å; E31-A33 VanDerWaalsContact C-N 3.29Å; E31-A33 PolarHBondContact O-N 3.1Å; E31-Q34 PolarHBondContact O-N 3.07Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-L35 PolarHBondContact O-N 3.26Å |
| 32 | L | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | -179.2 | -67.2 | 170 | 0 | 0 | 0 | 111.7 | R28 V30 L35 I37 I42 L46 | R28-L32 HydrophobicContact CG-CD1 4.08Å; R28-L32 HydrophobicContact CG-CG 4.38Å; R28-L32 VanDerWaalsContact O-CG 3.24Å; R28-L32 WeakPolarHBondContact O-CG 3.32Å; R28-L32 PolarHBondContact O-N 3.49Å; V30-L32 PolarHBondContact O-N 3.07Å; L32-L35 PolarHBondContact O-N 3.32Å; L32-I37 HydrophobicContact CB-CB 4.42Å; L32-I37 HydrophobicContact CB-CD1 4Å; L32-I37 HydrophobicContact CD2-CD1 3.45Å; L32-I37 VanDerWaalsContact CD2-CD1 3.45Å; L32-I37 HydrophobicContact CG-CD1 4.29Å; L32-I37 VanDerWaalsContact O-CB 3.26Å; L32-I37 WeakPolarHBondContact O-CB 3.38Å; L32-I37 PolarHBondContact O-N 3.45Å; L32-I37 VanDerWaalsContact O-N 3.08Å; L32-I42 HydrophobicContact CB-CD1 3.77Å; L32-I42 HydrophobicContact CB-CG1 3.75Å; L32-I42 HydrophobicContact CD1-CG1 4.31Å; L32-I42 HydrophobicContact CD1-CG2 4.09Å; L32-L46 HydrophobicContact CD1-CD1 3.96Å; L32-L46 HydrophobicContact CD1-CD2 4.16Å; L32-L46 HydrophobicContact CD1-CG 4.05Å |
| 33 | A | 97.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I29 V30 E31 L35 G36 I42 L57 | I29-A33 PolarHBondContact O-N 3.44Å; V30-A33 PolarHBondContact O-N 3.15Å; E31-A33 VanDerWaalsContact C-N 3.29Å; E31-A33 PolarHBondContact O-N 3.1Å; A33-L35 VanDerWaalsContact C-N 3.26Å; A33-L35 PolarHBondContact O-N 3.37Å; A33-G36 WeakPolarHBondContact O-CA 3.21Å; A33-G36 PolarHBondContact O-N 2.98Å; A33-I42 HydrophobicContact CB-CD1 3.9Å; A33-L57 HydrophobicContact CB-CD1 4.08Å; A33-L57 HydrophobicContact CB-CD2 3.5Å; A33-L57 HydrophobicContact CB-CG 4.46Å |
| 34 | Q | 97.4 | Very high | 97.8 | Very high | 126 Ų | 126 | 62.1 Ų | 62.1 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.4 | -29.8 | 174.4 | -73.1 | 174.3 | -19.1 | 0 | 0 | 112.5 | V30 E31 G36 Y60 | V30-Q34 HydrophobicContact CG1-CG 4.38Å; V30-Q34 WeakPolarHBondContact O-CG 3Å; V30-Q34 PolarHBondContact O-N 3.41Å; E31-Q34 PolarHBondContact O-N 3.07Å; Q34-G36 PolarHBondContact O-N 2.94Å; Q34-Y60 PolarHBondContact NE2-OH 3.3Å |
| 35 | L | 97.8 | Very high | 97.9 | Very high | 130 Ų | 130 | 64.1 Ų | 64.1 | 68% | 0.681 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 2.4 | 170.4 | -64.7 | 173 | 0 | 0 | 0 | 113.4 | E31 L32 A33 I37 | E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-L35 PolarHBondContact O-N 3.26Å; L32-L35 PolarHBondContact O-N 3.32Å; A33-L35 VanDerWaalsContact C-N 3.26Å; A33-L35 PolarHBondContact O-N 3.37Å; L35-I37 HydrophobicContact CB-CD1 4.46Å; L35-I37 HydrophobicContact CB-CG1 4.45Å |
| 36 | G | 97.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 11.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A33 Q34 | A33-G36 WeakPolarHBondContact O-CA 3.21Å; A33-G36 PolarHBondContact O-N 2.98Å; Q34-G36 PolarHBondContact O-N 2.94Å |
| 37 | I | 98.2 | Very high | 97.9 | Very high | 55 Ų | 55 | 69.1 Ų | 69.1 | 28% | 0.282 | 34% | 0.34 | S | S | . | . | trans | -73 | 136.6 | 178.4 | -58.6 | 169.7 | 0 | 0 | 0 | 109.4 | L32 L35 D41 I42 | L32-I37 HydrophobicContact CB-CB 4.42Å; L32-I37 HydrophobicContact CB-CD1 4Å; L32-I37 HydrophobicContact CD2-CD1 3.45Å; L32-I37 VanDerWaalsContact CD2-CD1 3.45Å; L32-I37 HydrophobicContact CG-CD1 4.29Å; L32-I37 VanDerWaalsContact O-CB 3.26Å; L32-I37 WeakPolarHBondContact O-CB 3.38Å; L32-I37 PolarHBondContact O-N 3.45Å; L32-I37 VanDerWaalsContact O-N 3.08Å; L35-I37 HydrophobicContact CB-CD1 4.46Å; L35-I37 HydrophobicContact CB-CG1 4.45Å; I37-D41 HydrophobicContact CG2-CB 3.89Å; I37-I42 HydrophobicContact CB-CD1 4.43Å; I37-I42 HydrophobicContact CB-CG1 4.13Å; I37-I42 HydrophobicContact CG2-CG1 3.75Å | ||
| 38 | R | 98.1 | Very high | 97.9 | Very high | 169 Ų | 169 | 66.3 Ų | 66.3 | 64% | 0.638 | 33% | 0.326 | S | S | * | . | trans | -67.1 | 141.3 | -177.8 | -59.2 | 174.6 | 66 | -169.9 | 0.5 | 110.6 | C40 D41 I42 | R38-C40 PolarHBondContact O-N 2.91Å; R38-D41 PolarHBondContact O-N 2.97Å; R38-I42 PolarHBondContact O-N 3.33Å; R38-I42 VanDerWaalsContact O-N 3.13Å | ||
| 39 | P | 97.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.2 | -31 | -180 | -28.9 | 35.5 | 0 | 0 | 0 | 115 | D41 S43 V53 L57 | P39-D41 VanDerWaalsContact C-N 3.33Å; P39-S43 WeakPolarHBondContact O-CB 3.38Å; P39-S43 PolarHBondContact O-N 2.92Å; P39-V53 HydrophobicContact CB-CG1 4.23Å; P39-L57 HydrophobicContact CB-CD1 4.36Å; P39-L57 HydrophobicContact CG-CD1 4.1Å |
| 40 | C | 97.9 | Very high | 97.8 | Very high | 31 Ų | 31 | 69.5 Ų | 69.5 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | R38 S43 R44 | R38-C40 PolarHBondContact O-N 2.91Å; C40-S43 WeakPolarHBondContact O-CB 3.23Å; C40-R44 WeakPolarHBondContact O-CG 3.38Å; C40-R44 PolarHBondContact O-N 3.26Å |
| 41 | D | 98.1 | Very high | 97.8 | Very high | 69 Ų | 69 | 71.4 Ų | 71.4 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -79.8 | -38.5 | -177.8 | -57.9 | -29 | 0 | 0 | 0 | 110.1 | I37 R38 P39 S43 R44 Q45 | I37-D41 HydrophobicContact CG2-CB 3.89Å; R38-D41 PolarHBondContact O-N 2.97Å; P39-D41 VanDerWaalsContact C-N 3.33Å; D41-S43 VanDerWaalsContact C-N 3.28Å; D41-S43 PolarHBondContact O-N 3.46Å; D41-R44 PolarHBondContact O-N 3.02Å; D41-Q45 WeakPolarHBondContact O-CB 3.48Å; D41-Q45 PolarHBondContact O-N 3.1Å |
| 42 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.4 | -45.7 | 169.9 | -60.3 | 176.4 | 0 | 0 | 0 | 110.6 | I29 L32 A33 I37 R38 R44 Q45 L46 V53 | I29-I42 HydrophobicContact CB-CG2 4.39Å; I29-I42 HydrophobicContact CG1-CG2 4.04Å; I29-I42 HydrophobicContact CG2-CG2 4.38Å; L32-I42 HydrophobicContact CB-CD1 3.77Å; L32-I42 HydrophobicContact CB-CG1 3.75Å; L32-I42 HydrophobicContact CD1-CG1 4.31Å; L32-I42 HydrophobicContact CD1-CG2 4.09Å; A33-I42 HydrophobicContact CB-CD1 3.9Å; I37-I42 HydrophobicContact CB-CD1 4.43Å; I37-I42 HydrophobicContact CB-CG1 4.13Å; I37-I42 HydrophobicContact CG2-CG1 3.75Å; R38-I42 PolarHBondContact O-N 3.33Å; R38-I42 VanDerWaalsContact O-N 3.13Å; I42-R44 PolarHBondContact O-N 3.43Å; I42-Q45 PolarHBondContact O-N 3.17Å; I42-L46 HydrophobicContact CG2-CD1 3.8Å; I42-L46 HydrophobicContact CG2-CG 4.37Å; I42-L46 WeakPolarHBondContact O-CB 3.3Å; I42-L46 PolarHBondContact O-N 3.47Å; I42-V53 HydrophobicContact CB-CG1 4.32Å; I42-V53 HydrophobicContact CG2-CG1 4.04Å; I42-V53 HydrophobicContact CG2-CG2 4.38Å |
| 43 | S | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 69 Ų | 69 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | P39 C40 D41 R47 V48 H50 | P39-S43 WeakPolarHBondContact O-CB 3.38Å; P39-S43 PolarHBondContact O-N 2.92Å; C40-S43 WeakPolarHBondContact O-CB 3.23Å; D41-S43 VanDerWaalsContact C-N 3.28Å; D41-S43 PolarHBondContact O-N 3.46Å; S43-R47 CarbonylContact O-C 3.56Å; S43-R47 VanDerWaalsContact O-CA 3.31Å; S43-R47 WeakPolarHBondContact O-CA 3.34Å; S43-R47 PolarHBondContact O-N 3.01Å; S43-V48 CarbonylContact C-O 3.5Å; S43-V48 WeakPolarHBondContact CA-O 3.48Å; S43-V48 WeakPolarHBondContact CB-O 3.24Å; S43-V48 PolarHBondContact O-N 3.38Å; S43-V48 PolarHBondContact OG-O 3.16Å; S43-H50 PolarHBondContact OG-N 3.07Å |
| 44 | R | 97.6 | Very high | 97.8 | Very high | 163 Ų | 163 | 70.5 Ų | 70.5 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.4 | -44.8 | 178.2 | -65.7 | -179.7 | -135.6 | -80.2 | 2.5 | 112.1 | C40 D41 I42 R47 | C40-R44 WeakPolarHBondContact O-CG 3.38Å; C40-R44 PolarHBondContact O-N 3.26Å; D41-R44 PolarHBondContact O-N 3.02Å; I42-R44 PolarHBondContact O-N 3.43Å; R44-R47 PolarHBondContact O-N 3.14Å |
| 45 | Q | 97.4 | Very high | 97.8 | Very high | 113 Ų | 113 | 71.3 Ų | 71.3 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | -177.5 | -175 | 177.8 | 18.7 | 0 | 0 | 112.1 | D41 I42 R47 | D41-Q45 WeakPolarHBondContact O-CB 3.48Å; D41-Q45 PolarHBondContact O-N 3.1Å; I42-Q45 PolarHBondContact O-N 3.17Å; Q45-R47 VanDerWaalsContact C-N 3.31Å |
| 46 | L | 97.5 | Very high | 97.8 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -87.6 | -3.9 | -179.8 | -58.6 | -177.8 | 0 | 0 | 0 | 113 | I25 R28 I29 L32 I42 V48 | I25-L46 HydrophobicContact CG2-CD1 4.29Å; R28-L46 HydrophobicContact CB-CD1 4.25Å; R28-L46 HydrophobicContact CB-CD2 4.49Å; R28-L46 HydrophobicContact CG-CD1 4.07Å; R28-L46 HydrophobicContact CG-CD2 3.7Å; I29-L46 HydrophobicContact CB-CD1 4.42Å; I29-L46 HydrophobicContact CD1-CD1 4.48Å; I29-L46 HydrophobicContact CG1-CD1 3.45Å; I29-L46 VanDerWaalsContact CG1-CD1 3.45Å; L32-L46 HydrophobicContact CD1-CD1 3.96Å; L32-L46 HydrophobicContact CD1-CD2 4.16Å; L32-L46 HydrophobicContact CD1-CG 4.05Å; I42-L46 HydrophobicContact CG2-CD1 3.8Å; I42-L46 HydrophobicContact CG2-CG 4.37Å; I42-L46 WeakPolarHBondContact O-CB 3.3Å; I42-L46 PolarHBondContact O-N 3.47Å; L46-V48 HydrophobicContact CB-CG2 4.1Å; L46-V48 PolarHBondContact O-N 2.72Å |
| 47 | R | 97.6 | Very high | 97.8 | Very high | 139 Ų | 139 | 63.3 Ų | 63.3 | 53% | 0.525 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38.6 | -175.3 | -53.3 | -178.6 | 177.7 | -170.1 | -1.5 | 112.4 | N9 L11 G12 G13 S43 R44 Q45 | N9-R47 PolarHBondContact ND2-O 3.25Å; L11-R47 HydrophobicContact CB-CB 4.19Å; L11-R47 WeakPolarHBondContact O-CB 3.49Å; L11-R47 WeakPolarHBondContact O-CD 3.05Å; L11-R47 VanDerWaalsContact O-CG 3.3Å; L11-R47 WeakPolarHBondContact O-CG 3.17Å; G12-R47 WeakPolarHBondContact O-CD 3.25Å; G12-R47 PolarHBondContact O-NH1 3.17Å; G13-R47 WeakPolarHBondContact CA-O 3.46Å; S43-R47 CarbonylContact O-C 3.56Å; S43-R47 VanDerWaalsContact O-CA 3.31Å; S43-R47 WeakPolarHBondContact O-CA 3.34Å; S43-R47 PolarHBondContact O-N 3.01Å; R44-R47 PolarHBondContact O-N 3.14Å; Q45-R47 VanDerWaalsContact C-N 3.31Å |
| 48 | V | 97.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | trans | -109.7 | 141.7 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | L11 L21 I25 I29 S43 L46 H50 C52 V53 | L11-V48 VanDerWaalsContact CD1-O 3.31Å; L11-V48 WeakPolarHBondContact CD1-O 3.09Å; L21-V48 HydrophobicContact CD1-CG2 4.21Å; L21-V48 HydrophobicContact CD2-CG1 4.04Å; L21-V48 HydrophobicContact CD2-CG2 4.01Å; I25-V48 HydrophobicContact CG2-CG2 3.81Å; I29-V48 HydrophobicContact CD1-CG1 4.46Å; S43-V48 CarbonylContact C-O 3.5Å; S43-V48 WeakPolarHBondContact CA-O 3.48Å; S43-V48 WeakPolarHBondContact CB-O 3.24Å; S43-V48 PolarHBondContact O-N 3.38Å; S43-V48 PolarHBondContact OG-O 3.16Å; L46-V48 HydrophobicContact CB-CG2 4.1Å; L46-V48 PolarHBondContact O-N 2.72Å; V48-H50 PolarHBondContact O-N 3.06Å; V48-C52 HydrophobicContact CG1-CB 3.68Å; V48-V53 HydrophobicContact CB-CG2 4.23Å; V48-V53 HydrophobicContact CG1-CG2 4.01Å | ||
| 49 | S | 97.7 | Very high | 97.7 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 43% | 0.434 | 30% | 0.302 | S | S | . | . | trans | -58.6 | 141 | 179.5 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | G51 C52 V53 | S49-G51 PolarHBondContact O-N 3.27Å; S49-C52 WeakPolarHBondContact O-CB 3.43Å; S49-C52 PolarHBondContact O-N 2.73Å; S49-C52 WeakPolarHBondContact OG-CB 3.44Å; S49-V53 PolarHBondContact O-N 3.36Å; S49-V53 VanDerWaalsContact O-N 3.13Å | ||
| 50 | H | 98.1 | Very high | 97.7 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.9 | -39.9 | -178.9 | -178.8 | -99.8 | 0 | 0 | 0 | 112.7 | S43 V48 C52 V53 S54 | S43-H50 PolarHBondContact OG-N 3.07Å; V48-H50 PolarHBondContact O-N 3.06Å; H50-C52 VanDerWaalsContact C-N 3.31Å; H50-C52 PolarHBondContact O-N 3.47Å; H50-V53 PolarHBondContact O-N 3.43Å; H50-S54 WeakPolarHBondContact O-CB 3.47Å; H50-S54 PolarHBondContact O-N 2.78Å |
| 51 | G | 97.8 | Very high | 97.6 | Very high | 48 Ų | 48 | 62.9 Ų | 62.9 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -33.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S49 K55 | S49-G51 PolarHBondContact O-N 3.27Å; G51-K55 VanDerWaalsContact O-CB 3.31Å; G51-K55 WeakPolarHBondContact O-CB 3.42Å; G51-K55 PolarHBondContact O-N 2.94Å |
| 52 | C | 97.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 67 Ų | 67 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.6 | -44.7 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | V48 S49 H50 S54 K55 I56 | V48-C52 HydrophobicContact CG1-CB 3.68Å; S49-C52 WeakPolarHBondContact O-CB 3.43Å; S49-C52 PolarHBondContact O-N 2.73Å; S49-C52 WeakPolarHBondContact OG-CB 3.44Å; H50-C52 VanDerWaalsContact C-N 3.31Å; H50-C52 PolarHBondContact O-N 3.47Å; C52-S54 PolarHBondContact O-N 3Å; C52-K55 PolarHBondContact O-N 3.12Å; C52-I56 WeakPolarHBondContact O-CG1 2.96Å; C52-I56 PolarHBondContact O-N 3.06Å |
| 53 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | I29 P39 I42 V48 S49 H50 K55 I56 L57 | I29-V53 HydrophobicContact CD1-CG2 4.2Å; I29-V53 HydrophobicContact CG1-CG2 4.44Å; I29-V53 HydrophobicContact CG2-CG1 3.97Å; P39-V53 HydrophobicContact CB-CG1 4.23Å; I42-V53 HydrophobicContact CB-CG1 4.32Å; I42-V53 HydrophobicContact CG2-CG1 4.04Å; I42-V53 HydrophobicContact CG2-CG2 4.38Å; V48-V53 HydrophobicContact CB-CG2 4.23Å; V48-V53 HydrophobicContact CG1-CG2 4.01Å; S49-V53 PolarHBondContact O-N 3.36Å; S49-V53 VanDerWaalsContact O-N 3.13Å; H50-V53 PolarHBondContact O-N 3.43Å; V53-K55 PolarHBondContact O-N 3.23Å; V53-I56 PolarHBondContact O-N 2.92Å; V53-L57 HydrophobicContact CG1-CD1 3.99Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CG 3.44Å; V53-L57 PolarHBondContact O-N 3.49Å |
| 54 | S | 98.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 178 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | H50 C52 I56 L57 A58 | H50-S54 WeakPolarHBondContact O-CB 3.47Å; H50-S54 PolarHBondContact O-N 2.78Å; C52-S54 PolarHBondContact O-N 3Å; S54-I56 VanDerWaalsContact C-N 3.31Å; S54-I56 PolarHBondContact O-N 2.9Å; S54-L57 PolarHBondContact O-N 3.48Å; S54-A58 WeakPolarHBondContact O-CB 3.27Å; S54-A58 PolarHBondContact O-N 2.96Å |
| 55 | K | 97.6 | Very high | 97 | Very high | 143 Ų | 143 | 67.6 Ų | 67.6 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64 | -33.1 | 178.7 | -172.3 | 177.6 | -65.3 | 177.9 | 0 | 113.4 | G51 C52 V53 R59 | G51-K55 VanDerWaalsContact O-CB 3.31Å; G51-K55 WeakPolarHBondContact O-CB 3.42Å; G51-K55 PolarHBondContact O-N 2.94Å; C52-K55 PolarHBondContact O-N 3.12Å; V53-K55 PolarHBondContact O-N 3.23Å; K55-R59 PolarHBondContact O-N 3.07Å |
| 56 | I | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.2 | -48 | 176.3 | -70.8 | 165.7 | 0 | 0 | 0 | 110.1 | L21 R26 I29 V30 C52 V53 S54 R59 Y60 | L21-I56 HydrophobicContact CD2-CD1 3.93Å; R26-I56 HydrophobicContact CG-CD1 3.92Å; I29-I56 HydrophobicContact CB-CG2 4.49Å; I29-I56 HydrophobicContact CD1-CD1 3.56Å; I29-I56 HydrophobicContact CG2-CB 4.4Å; I29-I56 HydrophobicContact CG2-CG2 4.05Å; V30-I56 HydrophobicContact CG2-CG2 4.32Å; C52-I56 WeakPolarHBondContact O-CG1 2.96Å; C52-I56 PolarHBondContact O-N 3.06Å; V53-I56 PolarHBondContact O-N 2.92Å; S54-I56 VanDerWaalsContact C-N 3.31Å; S54-I56 PolarHBondContact O-N 2.9Å; I56-R59 PolarHBondContact O-N 2.93Å; I56-Y60 WeakPolarHBondContact O-CB 3.45Å; I56-Y60 PolarHBondContact O-N 3.24Å |
| 57 | L | 97.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 179.6 | -66.6 | 177.8 | 0 | 0 | 0 | 112.1 | I29 V30 A33 P39 V53 S54 Y60 N61 | I29-L57 HydrophobicContact CG2-CD2 3.81Å; I29-L57 HydrophobicContact CG2-CG 3.95Å; V30-L57 HydrophobicContact CG2-CD2 4.39Å; A33-L57 HydrophobicContact CB-CD1 4.08Å; A33-L57 HydrophobicContact CB-CD2 3.5Å; A33-L57 HydrophobicContact CB-CG 4.46Å; P39-L57 HydrophobicContact CB-CD1 4.36Å; P39-L57 HydrophobicContact CG-CD1 4.1Å; V53-L57 HydrophobicContact CG1-CD1 3.99Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CG 3.44Å; V53-L57 PolarHBondContact O-N 3.49Å; S54-L57 PolarHBondContact O-N 3.48Å; L57-Y60 PolarHBondContact O-N 2.94Å; L57-N61 VanDerWaalsContact O-CG 3.26Å; L57-N61 PolarHBondContact O-N 3.29Å; L57-N61 PolarHBondContact O-ND2 3.02Å |
| 58 | A | 97.4 | Very high | 96.5 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.9 | -51.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S54 Y60 N61 E62 | S54-A58 WeakPolarHBondContact O-CB 3.27Å; S54-A58 PolarHBondContact O-N 2.96Å; A58-Y60 VanDerWaalsContact C-N 3.29Å; A58-Y60 PolarHBondContact O-N 2.81Å; A58-N61 PolarHBondContact O-N 3.26Å; A58-E62 WeakPolarHBondContact O-CG 3.41Å; A58-E62 PolarHBondContact O-N 3.47Å |
| 59 | R | 96.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 64 Ų | 64 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 176.1 | -178.8 | -172.3 | -67.5 | 108.2 | -3.7 | 111.8 | K55 I56 N61 E62 T63 | K55-R59 PolarHBondContact O-N 3.07Å; I56-R59 PolarHBondContact O-N 2.93Å; R59-N61 VanDerWaalsContact C-N 3.33Å; R59-E62 PolarHBondContact O-N 3.3Å; R59-T63 PolarHBondContact O-N 2.89Å; R59-T63 PolarHBondContact O-OG1 3.37Å |
| 60 | Y | 97.3 | Very high | 95.7 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 26% | 0.255 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | -179.9 | -177.8 | -99.8 | 0 | 0 | 0 | 111.3 | V30 Q34 I56 L57 A58 E62 G64 I66 | V30-Y60 HydrophobicContact CG1-CD1 3.74Å; V30-Y60 HydrophobicContact CG1-CD2 3.99Å; V30-Y60 HydrophobicContact CG1-CE1 3.48Å; V30-Y60 VanDerWaalsContact CG1-CE1 3.48Å; V30-Y60 HydrophobicContact CG1-CE2 3.76Å; V30-Y60 HydrophobicContact CG1-CG 3.97Å; V30-Y60 VanDerWaalsContact CG1-CZ 3.5Å; V30-Y60 HydrophobicContact CG2-CD1 4.27Å; V30-Y60 HydrophobicContact CG2-CD2 3.96Å; V30-Y60 HydrophobicContact CG2-CG 3.82Å; Q34-Y60 PolarHBondContact NE2-OH 3.3Å; I56-Y60 WeakPolarHBondContact O-CB 3.45Å; I56-Y60 PolarHBondContact O-N 3.24Å; L57-Y60 PolarHBondContact O-N 2.94Å; A58-Y60 VanDerWaalsContact C-N 3.29Å; A58-Y60 PolarHBondContact O-N 2.81Å; Y60-E62 VanDerWaalsContact C-N 3.33Å; Y60-E62 PolarHBondContact O-N 3.01Å; Y60-G64 WeakPolarHBondContact CD2-O 3.41Å; Y60-G64 VanDerWaalsContact CE2-O 3.27Å; Y60-G64 WeakPolarHBondContact CE2-O 3.44Å; Y60-G64 WeakPolarHBondContact O-CA 3.3Å; Y60-G64 PolarHBondContact O-N 2.97Å; Y60-I66 HydrophobicContact CD2-CG2 3.85Å; Y60-I66 HydrophobicContact CE2-CG2 4.19Å |
| 61 | N | 96.5 | Very high | 95 | Very high | 130 Ų | 130 | 67.4 Ų | 67.4 | 70% | 0.695 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.1 | -32.2 | 176.3 | -67.7 | -25 | 0 | 0 | 0 | 112.7 | L57 A58 R59 | L57-N61 VanDerWaalsContact O-CG 3.26Å; L57-N61 PolarHBondContact O-N 3.29Å; L57-N61 PolarHBondContact O-ND2 3.02Å; A58-N61 PolarHBondContact O-N 3.26Å; R59-N61 VanDerWaalsContact C-N 3.33Å |
| 62 | E | 95.6 | Very high | 94.2 | Very high | 156 Ų | 156 | 68.4 Ų | 68.4 | 73% | 0.729 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -78.3 | -38.8 | 178.3 | -70.6 | 168 | -176.4 | 0 | 0 | 113.5 | A58 R59 Y60 | A58-E62 WeakPolarHBondContact O-CG 3.41Å; A58-E62 PolarHBondContact O-N 3.47Å; R59-E62 PolarHBondContact O-N 3.3Å; Y60-E62 VanDerWaalsContact C-N 3.33Å; Y60-E62 PolarHBondContact O-N 3.01Å |
| 63 | T | 95.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 70.7 Ų | 70.7 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -124.9 | -14.5 | -166.9 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | R59 S65 | R59-T63 PolarHBondContact O-N 2.89Å; R59-T63 PolarHBondContact O-OG1 3.37Å; T63-S65 PolarHBondContact O-N 3.04Å; T63-S65 PolarHBondContact OG1-N 3.05Å; T63-S65 VanDerWaalsContact OG1-N 3.16Å |
| 64 | G | 94.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 76 Ų | 76 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | trans | 70.3 | -0.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y60 | Y60-G64 WeakPolarHBondContact CD2-O 3.41Å; Y60-G64 VanDerWaalsContact CE2-O 3.27Å; Y60-G64 WeakPolarHBondContact CE2-O 3.44Å; Y60-G64 WeakPolarHBondContact O-CA 3.3Å; Y60-G64 PolarHBondContact O-N 2.97Å | ||
| 65 | S | 93.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 82.2 Ų | 82.2 | 31% | 0.308 | 50% | 0.503 | S | S | . | . | trans | -95.6 | 127 | -173.7 | -173.9 | 0 | 0 | 0 | 0 | 113 | T63 L67 | T63-S65 PolarHBondContact O-N 3.04Å; T63-S65 PolarHBondContact OG1-N 3.05Å; T63-S65 VanDerWaalsContact OG1-N 3.16Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact OG-N 2.77Å; S65-L67 VanDerWaalsContact OG-N 3.13Å | ||
| 66 | I | 93.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 79.6 Ų | 79.6 | 15% | 0.154 | 50% | 0.501 | C | S | . | . | trans | -84 | -8.3 | 168.5 | 57.2 | 91.5 | 0 | 0 | 0 | 112.4 | N23 R26 L27 V30 Y60 | N23-I66 WeakPolarHBondContact OD1-CD1 3.38Å; R26-I66 PolarHBondContact NE-O 3.28Å; R26-I66 PolarHBondContact NH2-O 3.49Å; L27-I66 HydrophobicContact CD2-CB 4.38Å; L27-I66 HydrophobicContact CD2-CD1 3.91Å; L27-I66 HydrophobicContact CD2-CG1 3.74Å; L27-I66 HydrophobicContact CD2-CG2 4.27Å; L27-I66 HydrophobicContact CG-CD1 4.09Å; L27-I66 HydrophobicContact CG-CG1 4.37Å; V30-I66 HydrophobicContact CB-CG2 4.48Å; V30-I66 HydrophobicContact CG2-CG2 3.82Å; Y60-I66 HydrophobicContact CD2-CG2 3.85Å; Y60-I66 HydrophobicContact CE2-CG2 4.19Å | ||
| 67 | L | 94.3 | Very high | 89.4 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -73.5 | 141.9 | -178 | -62.9 | 175.1 | 0 | 0 | 0 | 111.1 | R26 S65 | R26-L67 PolarHBondContact NH2-O 3.16Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact OG-N 2.77Å; S65-L67 VanDerWaalsContact OG-N 3.13Å |
| 68 | P | 92.6 | Very high | 88.4 | Confident | 48 Ų | 48 | 92.3 Ų | 92.3 | 31% | 0.312 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 147.5 | 169.5 | 28.8 | -33.4 | 0 | 0 | 0 | 109.7 | P20 | P20-P68 HydrophobicContact CB-CB 3.56Å; P20-P68 HydrophobicContact CB-CG 3.8Å; P20-P68 HydrophobicContact CG-CB 4.17Å; P20-P68 HydrophobicContact CG-CG 3.97Å |
| 69 | G | 89.2 | Confident | 87.8 | Confident | 42 Ų | 42 | 92.6 Ų | 92.6 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 159.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | I71 | G69-I71 WeakPolarHBondContact O-CG1 3.36Å; G69-I71 PolarHBondContact O-N 3.22Å; G69-I71 VanDerWaalsContact O-N 3.14Å |
| 70 | A | 88.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 92.4 Ų | 92.4 | 92% | 0.917 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 71 | I | 83.6 | Confident | 87 | Confident | 125 Ų | 125 | 94.5 Ų | 94.5 | 64% | 0.641 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 126.2 | 177.9 | -59.4 | 177 | 0 | 0 | 0 | 107.7 | P20 G69 | P20-I71 HydrophobicContact CB-CD1 4.38Å; P20-I71 HydrophobicContact CG-CD1 4.34Å; G69-I71 WeakPolarHBondContact O-CG1 3.36Å; G69-I71 PolarHBondContact O-N 3.22Å; G69-I71 VanDerWaalsContact O-N 3.14Å |
| 72 | G | 82.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | trans | 89.8 | -170.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 73 | G | 82.4 | Confident | 86.6 | Confident | 85 Ų | 85 | 85.4 Ų | 85.4 | 88% | 0.876 | 54% | 0.536 | S | S | * | . | trans | 91.8 | 152.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 74 | S | 82.6 | Confident | 86.5 | Confident | 110 Ų | 110 | 82.1 Ų | 82.1 | 77% | 0.769 | 52% | 0.515 | S | S | * | . | trans | -104.2 | 141.2 | 170.9 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 75 | K | 77.7 | Confident | 86.4 | Confident | 194 Ų | 194 | 85 Ų | 85 | 84% | 0.843 | 51% | 0.514 | S | S | * | . | trans | -60.6 | 133.7 | 165.4 | -67.4 | -177.1 | 179.9 | 180 | 0 | 107.7 | R77 | K75-R77 PolarHBondContact O-N 2.82Š| ||
| 76 | P | 71.2 | Confident | 86.5 | Confident | 89 Ų | 89 | 84 Ų | 84 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | trans | -61 | 115.4 | 176.5 | 23.8 | -31.3 | 0 | 0 | 0 | 108.9 | ||||
| 77 | R | 73.2 | Confident | 86.5 | Confident | 237 Ų | 237 | 82.6 Ų | 82.6 | 89% | 0.894 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -75.3 | -32.9 | -176.8 | -71.2 | -177.6 | 172.4 | -118.8 | 1.7 | 113.2 | K75 | K75-R77 PolarHBondContact O-N 2.82Š|
| 78 | V | 77.8 | Confident | 86.4 | Confident | 54 Ų | 54 | 81 Ų | 81 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -124.4 | -25.5 | -169.4 | -176.2 | 0 | 0 | 0 | 0 | 111 | T80 N116 P118 | V78-T80 VanDerWaalsContact C-N 3.3Å; V78-T80 PolarHBondContact O-N 3.06Å; V78-N116 WeakPolarHBondContact CG1-O 3.37Å; V78-P118 HydrophobicContact CG1-CB 4.3Å |
| 79 | T | 84.1 | Confident | 86.6 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 29% | 0.288 | 49% | 0.489 | S | S | . | . | trans | -87.8 | 67.1 | 179.5 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | V84 I126 | T79-V84 HydrophobicContact CG2-CG2 3.23Å; T79-I126 HydrophobicContact CG2-CD1 3.72Å; T79-I126 HydrophobicContact CG2-CG1 4.17Å | ||
| 80 | T | 87.6 | Confident | 86.9 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 39% | 0.387 | 47% | 0.473 | S | S | . | . | trans | -67.5 | 150.8 | 174.1 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | V78 N82 V83 V84 | V78-T80 VanDerWaalsContact C-N 3.3Å; V78-T80 PolarHBondContact O-N 3.06Å; T80-N82 PolarHBondContact O-N 2.91Å; T80-N82 VanDerWaalsContact O-N 3.16Å; T80-V83 PolarHBondContact O-N 3.22Å; T80-V83 VanDerWaalsContact O-N 3.15Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.46Å; T80-V83 PolarHBondContact OG1-N 3.33Å; T80-V84 WeakPolarHBondContact O-CG2 3.15Å; T80-V84 PolarHBondContact O-N 2.98Å; T80-V84 VanDerWaalsContact O-N 3.12Å | ||
| 81 | P | 89.1 | Confident | 87.1 | Confident | 109 Ų | 109 | 79 Ų | 79 | 71% | 0.708 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56 | -32.2 | 178.6 | -26.8 | 35 | 0 | 0 | 0 | 113.6 | V84 K85 | P81-V84 PolarHBondContact O-N 2.91Å; P81-K85 PolarHBondContact O-N 3.2Å |
| 82 | N | 91.3 | Very high | 87.6 | Confident | 91 Ų | 91 | 79.4 Ų | 79.4 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 177.2 | -170 | 47.8 | 0 | 0 | 0 | 112 | T80 V84 K85 N86 | T80-N82 PolarHBondContact O-N 2.91Å; T80-N82 VanDerWaalsContact O-N 3.16Å; N82-V84 VanDerWaalsContact C-N 3.31Å; N82-V84 PolarHBondContact O-N 3.3Å; N82-K85 WeakPolarHBondContact O-CB 3.27Å; N82-K85 PolarHBondContact O-N 2.9Å; N82-K85 VanDerWaalsContact O-N 3.1Å; N82-N86 PolarHBondContact O-N 3.19Å; N82-N86 PolarHBondContact O-ND2 3.26Å; N82-N86 PolarHBondContact OD1-ND2 2.87Å |
| 83 | V | 92.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.024 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | T80 K85 N86 I87 L106 V111 C112 P118 | T80-V83 PolarHBondContact O-N 3.22Å; T80-V83 VanDerWaalsContact O-N 3.15Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.46Å; T80-V83 PolarHBondContact OG1-N 3.33Å; V83-K85 VanDerWaalsContact C-N 3.25Å; V83-K85 PolarHBondContact O-N 2.73Å; V83-N86 PolarHBondContact O-N 3.33Å; V83-I87 HydrophobicContact CG1-CD1 3.78Å; V83-I87 HydrophobicContact CG1-CG1 4.36Å; V83-I87 WeakPolarHBondContact O-CB 2.95Å; V83-I87 VanDerWaalsContact O-CG1 3.23Å; V83-I87 WeakPolarHBondContact O-CG1 3.45Å; V83-I87 PolarHBondContact O-N 3.13Å; V83-L106 HydrophobicContact CG1-CD1 4.15Å; V83-L106 HydrophobicContact CG1-CD2 4.35Å; V83-V111 HydrophobicContact CG2-CG1 4.19Å; V83-C112 WeakPolarHBondContact CG2-SG 3.35Å; V83-P118 HydrophobicContact CG1-CG 3.89Å |
| 84 | V | 93.1 | Very high | 88.7 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.2 | -28.5 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | T79 T80 P81 N82 R88 I126 | T79-V84 HydrophobicContact CG2-CG2 3.23Å; T80-V84 WeakPolarHBondContact O-CG2 3.15Å; T80-V84 PolarHBondContact O-N 2.98Å; T80-V84 VanDerWaalsContact O-N 3.12Å; P81-V84 PolarHBondContact O-N 2.91Å; N82-V84 VanDerWaalsContact C-N 3.31Å; N82-V84 PolarHBondContact O-N 3.3Å; V84-R88 PolarHBondContact O-NE 2.94Å; V84-I126 HydrophobicContact CG1-CG2 3.84Å; V84-I126 HydrophobicContact CG2-CD1 4.26Å; V84-I126 HydrophobicContact CG2-CG2 4.41Å |
| 85 | K | 93.7 | Very high | 89.2 | Confident | 107 Ų | 107 | 79.4 Ų | 79.4 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.8 | -52.6 | 174.6 | -179.3 | -176.3 | 165.9 | -174 | 0 | 110.4 | P81 N82 V83 I87 R88 E89 | P81-K85 PolarHBondContact O-N 3.2Å; N82-K85 WeakPolarHBondContact O-CB 3.27Å; N82-K85 PolarHBondContact O-N 2.9Å; N82-K85 VanDerWaalsContact O-N 3.1Å; V83-K85 VanDerWaalsContact C-N 3.25Å; V83-K85 PolarHBondContact O-N 2.73Å; K85-I87 PolarHBondContact O-N 3.37Å; K85-R88 WeakPolarHBondContact O-CB 3.46Å; K85-R88 PolarHBondContact O-N 3.31Å; K85-E89 WeakPolarHBondContact CE-OE1 3.34Å; K85-E89 WeakPolarHBondContact CG-OE1 3.42Å; K85-E89 IonicContact NZ-OE1 3.88Å; K85-E89 PolarHBondContact O-N 3.4Å |
| 86 | N | 94.9 | Very high | 90 | Very high | 25 Ų | 25 | 72.5 Ų | 72.5 | 13% | 0.134 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 179.1 | -74 | -86.1 | 0 | 0 | 0 | 112.5 | N82 V83 R88 E89 Y90 L106 V111 | N82-N86 PolarHBondContact O-N 3.19Å; N82-N86 PolarHBondContact O-ND2 3.26Å; N82-N86 PolarHBondContact OD1-ND2 2.87Å; V83-N86 PolarHBondContact O-N 3.33Å; N86-R88 PolarHBondContact O-N 3Å; N86-R88 VanDerWaalsContact O-N 3.15Å; N86-E89 PolarHBondContact O-N 3.01Å; N86-Y90 HydrophobicContact CB-CE2 3.97Å; N86-Y90 WeakPolarHBondContact O-CD2 3.38Å; N86-Y90 PolarHBondContact O-N 3.26Å; N86-L106 HydrophobicContact CB-CD2 3.89Å; N86-V111 HydrophobicContact CB-CG1 4.13Å; N86-V111 HydrophobicContact CB-CG2 4.47Å |
| 87 | I | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.8 | -39.3 | 174.4 | -72 | 168.2 | 0 | 0 | 0 | 111.8 | V83 K85 K91 I102 L106 P118 I123 I126 L127 | V83-I87 HydrophobicContact CG1-CD1 3.78Å; V83-I87 HydrophobicContact CG1-CG1 4.36Å; V83-I87 WeakPolarHBondContact O-CB 2.95Å; V83-I87 VanDerWaalsContact O-CG1 3.23Å; V83-I87 WeakPolarHBondContact O-CG1 3.45Å; V83-I87 PolarHBondContact O-N 3.13Å; K85-I87 PolarHBondContact O-N 3.37Å; I87-K91 PolarHBondContact O-N 2.96Å; I87-I102 HydrophobicContact CB-CG2 4.31Å; I87-I102 HydrophobicContact CG1-CG2 3.84Å; I87-I102 HydrophobicContact CG2-CG2 4.25Å; I87-L106 HydrophobicContact CD1-CD1 4.15Å; I87-L106 HydrophobicContact CG1-CD1 3.78Å; I87-L106 HydrophobicContact CG1-CD2 4.43Å; I87-P118 HydrophobicContact CD1-CG 4.19Å; I87-I123 HydrophobicContact CD1-CG1 4.09Å; I87-I123 HydrophobicContact CG2-CG2 4.16Å; I87-I126 HydrophobicContact CD1-CD1 3.82Å; I87-I126 HydrophobicContact CG2-CG2 4.14Å; I87-L127 HydrophobicContact CG2-CD2 3.63Å; I87-L127 HydrophobicContact CG2-CG 4.16Å |
| 88 | R | 92.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.6 | -42 | 178.5 | -78.9 | 179.5 | -83.2 | 141.9 | -1.8 | 111.8 | V84 K85 N86 Y90 K91 Q92 | V84-R88 PolarHBondContact O-NE 2.94Å; K85-R88 WeakPolarHBondContact O-CB 3.46Å; K85-R88 PolarHBondContact O-N 3.31Å; N86-R88 PolarHBondContact O-N 3Å; N86-R88 VanDerWaalsContact O-N 3.15Å; R88-Y90 VanDerWaalsContact C-N 3.34Å; R88-Y90 PolarHBondContact O-N 3.08Å; R88-K91 PolarHBondContact O-N 3.35Å; R88-Q92 VanDerWaalsContact O-CB 3.26Å; R88-Q92 WeakPolarHBondContact O-CB 3.44Å; R88-Q92 PolarHBondContact O-N 3.19Å |
| 89 | E | 94.9 | Very high | 93.1 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 178.3 | -73.3 | 170 | 179 | 0 | 0 | 111.5 | K85 N86 Q92 S93 | K85-E89 WeakPolarHBondContact CE-OE1 3.34Å; K85-E89 WeakPolarHBondContact CG-OE1 3.42Å; K85-E89 IonicContact NZ-OE1 3.88Å; K85-E89 PolarHBondContact O-N 3.4Å; N86-E89 PolarHBondContact O-N 3.01Å; E89-Q92 PolarHBondContact O-N 3.3Å; E89-S93 WeakPolarHBondContact O-CB 3.48Å; E89-S93 PolarHBondContact O-N 3.04Å; E89-S93 PolarHBondContact O-OG 2.93Å |
| 90 | Y | 95.8 | Very high | 93.7 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 174.8 | -57.4 | -42.9 | 0 | 0 | 0 | 112.5 | N86 R88 Q92 S93 D94 I102 R105 L106 D109 | N86-Y90 HydrophobicContact CB-CE2 3.97Å; N86-Y90 WeakPolarHBondContact O-CD2 3.38Å; N86-Y90 PolarHBondContact O-N 3.26Å; R88-Y90 VanDerWaalsContact C-N 3.34Å; R88-Y90 PolarHBondContact O-N 3.08Å; Y90-Q92 VanDerWaalsContact C-N 3.33Å; Y90-Q92 PolarHBondContact O-N 3.32Å; Y90-S93 PolarHBondContact O-N 3.21Å; Y90-D94 PolarHBondContact O-N 3.22Å; Y90-I102 HydrophobicContact CD2-CG2 4.22Å; Y90-R105 HydrophobicContact CD2-CB 4.46Å; Y90-R105 HydrophobicContact CE2-CB 4.2Å; Y90-L106 HydrophobicContact CE2-CD2 3.79Å; Y90-L106 HydrophobicContact CE2-CG 4.03Å; Y90-D109 WeakPolarHBondContact CE1-OD2 3.23Å; Y90-D109 VanDerWaalsContact CZ-OD2 3.25Å; Y90-D109 WeakPolarHBondContact OH-CB 3.33Å; Y90-D109 PolarHBondContact OH-OD2 3.13Å |
| 91 | K | 94.2 | Very high | 94.2 | Very high | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.3 | -31.1 | 178.4 | -169.5 | 59.9 | 165.3 | 178.1 | 0 | 113 | I87 R88 D94 P95 I97 L127 I131 | I87-K91 PolarHBondContact O-N 2.96Å; R88-K91 PolarHBondContact O-N 3.35Å; K91-D94 CarbonylContact O-C 3.59Å; K91-D94 VanDerWaalsContact O-C 3.23Å; K91-P95 WeakPolarHBondContact CE-O 3.36Å; K91-P95 PolarHBondContact NZ-O 3.43Å; K91-P95 WeakPolarHBondContact O-CA 3.46Å; K91-I97 HydrophobicContact CD-CG2 3.73Å; K91-I97 PolarHBondContact NZ-O 3.42Å; K91-L127 HydrophobicContact CB-CD2 3.89Å; K91-L127 HydrophobicContact CG-CD2 3.99Å; K91-I131 HydrophobicContact CG-CD1 4.29Å |
| 92 | Q | 93.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.7 | -38.8 | 176.9 | -173.9 | 62.3 | 50.9 | 0 | 0 | 111.4 | R88 E89 Y90 | R88-Q92 VanDerWaalsContact O-CB 3.26Å; R88-Q92 WeakPolarHBondContact O-CB 3.44Å; R88-Q92 PolarHBondContact O-N 3.19Å; E89-Q92 PolarHBondContact O-N 3.3Å; Y90-Q92 VanDerWaalsContact C-N 3.33Å; Y90-Q92 PolarHBondContact O-N 3.32Å |
| 93 | S | 93.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 59.8 Ų | 59.8 | 71% | 0.713 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.2 | -35.5 | 178 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | E89 Y90 | E89-S93 WeakPolarHBondContact O-CB 3.48Å; E89-S93 PolarHBondContact O-N 3.04Å; E89-S93 PolarHBondContact O-OG 2.93Å; Y90-S93 PolarHBondContact O-N 3.21Å |
| 94 | D | 93.9 | Very high | 95 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | trans | -136.1 | 96.2 | 177.1 | -178.6 | -2.2 | 0 | 0 | 0 | 110.4 | Y90 K91 G96 I97 | Y90-D94 PolarHBondContact O-N 3.22Å; K91-D94 CarbonylContact O-C 3.59Å; K91-D94 VanDerWaalsContact O-C 3.23Å; D94-G96 PolarHBondContact O-N 3.18Å; D94-G96 WeakPolarHBondContact OD1-CA 3.26Å; D94-G96 PolarHBondContact OD1-N 3.44Å; D94-I97 HydrophobicContact CB-CB 4.16Å; D94-I97 WeakPolarHBondContact O-CB 3.07Å; D94-I97 WeakPolarHBondContact O-CG2 3.5Å; D94-I97 PolarHBondContact O-N 3.38Å; D94-I97 PolarHBondContact OD1-N 3.02Å | ||
| 95 | P | 93 | Very high | 95.2 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.7 | 177.3 | -24.3 | 35.3 | 0 | 0 | 0 | 114 | K91 | K91-P95 WeakPolarHBondContact CE-O 3.36Å; K91-P95 PolarHBondContact NZ-O 3.43Å; K91-P95 WeakPolarHBondContact O-CA 3.46Å |
| 96 | G | 93.9 | Very high | 95.3 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -22.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D94 F98 | D94-G96 PolarHBondContact O-N 3.18Å; D94-G96 WeakPolarHBondContact OD1-CA 3.26Å; D94-G96 PolarHBondContact OD1-N 3.44Å; G96-F98 PolarHBondContact O-N 2.84Å |
| 97 | I | 95.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | trans | -58.7 | 130.9 | -171.7 | -160.4 | 175.8 | 0 | 0 | 0 | 112.7 | K91 D94 E101 I102 | K91-I97 HydrophobicContact CD-CG2 3.73Å; K91-I97 PolarHBondContact NZ-O 3.42Å; D94-I97 HydrophobicContact CB-CB 4.16Å; D94-I97 WeakPolarHBondContact O-CB 3.07Å; D94-I97 WeakPolarHBondContact O-CG2 3.5Å; D94-I97 PolarHBondContact O-N 3.38Å; D94-I97 PolarHBondContact OD1-N 3.02Å; I97-E101 WeakPolarHBondContact CA-OE2 3.49Å; I97-E101 HydrophobicContact CD1-CB 4.02Å; I97-E101 HydrophobicContact CG1-CB 3.52Å; I97-E101 HydrophobicContact CG1-CG 4.46Å; I97-E101 WeakPolarHBondContact CG1-OE2 3.5Å; I97-I102 HydrophobicContact CD1-CG1 3.83Å; I97-I102 HydrophobicContact CG1-CG1 4.02Å; I97-I102 HydrophobicContact CG2-CD1 3.86Å; I97-I102 HydrophobicContact CG2-CG1 3.77Å | ||
| 98 | F | 96.4 | Very high | 95.3 | Very high | 129 Ų | 129 | 67.1 Ų | 67.1 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | trans | -82.5 | 158.3 | 177.6 | -66.6 | -74 | 0 | 0 | 0 | 111.7 | G96 W100 E101 I102 | G96-F98 PolarHBondContact O-N 2.84Å; F98-W100 HydrophobicContact CB-CG 4.39Å; F98-W100 AromaticContact CG-NE1 3.84Å; F98-W100 PolarHBondContact O-N 3.14Å; F98-E101 HydrophobicContact CB-CG 4.38Å; F98-E101 WeakPolarHBondContact CD2-OE2 3.41Å; F98-E101 PolarHBondContact N-OE2 2.67Å; F98-E101 WeakPolarHBondContact O-CB 3.47Å; F98-E101 PolarHBondContact O-N 3.04Å; F98-E101 VanDerWaalsContact O-N 3.14Å; F98-I102 WeakPolarHBondContact O-CG1 3.38Å; F98-I102 PolarHBondContact O-N 2.95Å | ||
| 99 | A | 96.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 68.6 Ų | 68.6 | 12% | 0.116 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -27.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R103 V120 I123 S124 | A99-R103 PolarHBondContact O-N 3.03Å; A99-V120 HydrophobicContact CB-CG1 3.68Å; A99-I123 HydrophobicContact CB-CB 4.27Å; A99-I123 HydrophobicContact CB-CG2 3.89Å; A99-I123 WeakPolarHBondContact O-CD1 3.46Å; A99-S124 WeakPolarHBondContact CB-OG 3.32Å |
| 100 | W | 96.6 | Very high | 95.3 | Very high | 128 Ų | 128 | 67.3 Ų | 67.3 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.9 | -39 | 174.2 | 67.2 | -93 | 0 | 0 | 0 | 111.4 | F98 I102 R103 D104 V120 | F98-W100 HydrophobicContact CB-CG 4.39Å; F98-W100 AromaticContact CG-NE1 3.84Å; F98-W100 PolarHBondContact O-N 3.14Å; W100-I102 VanDerWaalsContact C-N 3.34Å; W100-I102 PolarHBondContact O-N 3.24Å; W100-R103 VanDerWaalsContact O-CB 3.24Å; W100-R103 WeakPolarHBondContact O-CB 3.31Å; W100-R103 PolarHBondContact O-N 3.25Å; W100-R103 VanDerWaalsContact O-N 3.1Å; W100-D104 PolarHBondContact O-N 3.49Å; W100-V120 HydrophobicContact CB-CG2 4.27Å |
| 101 | E | 97.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 175.5 | -65.8 | 169.3 | 147.2 | 0 | 0 | 111.2 | I97 F98 R103 D104 R105 | I97-E101 WeakPolarHBondContact CA-OE2 3.49Å; I97-E101 HydrophobicContact CD1-CB 4.02Å; I97-E101 HydrophobicContact CG1-CB 3.52Å; I97-E101 HydrophobicContact CG1-CG 4.46Å; I97-E101 WeakPolarHBondContact CG1-OE2 3.5Å; F98-E101 HydrophobicContact CB-CG 4.38Å; F98-E101 WeakPolarHBondContact CD2-OE2 3.41Å; F98-E101 PolarHBondContact N-OE2 2.67Å; F98-E101 WeakPolarHBondContact O-CB 3.47Å; F98-E101 PolarHBondContact O-N 3.04Å; F98-E101 VanDerWaalsContact O-N 3.14Å; E101-R103 VanDerWaalsContact C-N 3.29Å; E101-R103 PolarHBondContact O-N 2.93Å; E101-D104 PolarHBondContact O-N 3.17Å; E101-R105 PolarHBondContact O-N 2.87Å |
| 102 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 172.1 | -69 | 172.5 | 0 | 0 | 0 | 110.7 | I87 Y90 I97 F98 W100 D104 R105 L106 I123 L127 | I87-I102 HydrophobicContact CB-CG2 4.31Å; I87-I102 HydrophobicContact CG1-CG2 3.84Å; I87-I102 HydrophobicContact CG2-CG2 4.25Å; Y90-I102 HydrophobicContact CD2-CG2 4.22Å; I97-I102 HydrophobicContact CD1-CG1 3.83Å; I97-I102 HydrophobicContact CG1-CG1 4.02Å; I97-I102 HydrophobicContact CG2-CD1 3.86Å; I97-I102 HydrophobicContact CG2-CG1 3.77Å; F98-I102 WeakPolarHBondContact O-CG1 3.38Å; F98-I102 PolarHBondContact O-N 2.95Å; W100-I102 VanDerWaalsContact C-N 3.34Å; W100-I102 PolarHBondContact O-N 3.24Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 3.37Å; I102-R105 PolarHBondContact O-N 2.97Å; I102-L106 HydrophobicContact CG2-CD1 4.21Å; I102-L106 HydrophobicContact CG2-CG 4.5Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.37Å; I102-L106 PolarHBondContact O-N 3.12Å; I102-I123 HydrophobicContact CB-CG2 4.23Å; I102-I123 HydrophobicContact CD1-CG2 4.2Å; I102-I123 HydrophobicContact CG2-CD1 4.36Å; I102-I123 HydrophobicContact CG2-CG2 3.89Å; I102-L127 HydrophobicContact CD1-CD1 3.88Å; I102-L127 HydrophobicContact CD1-CD2 4.38Å |
| 103 | R | 96.3 | Very high | 95 | Very high | 90 Ų | 90 | 64 Ų | 64 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 178.2 | -170.7 | -167.1 | 65.6 | -176.3 | -4.1 | 110.9 | A99 W100 E101 L106 L107 V117 I123 | A99-R103 PolarHBondContact O-N 3.03Å; W100-R103 VanDerWaalsContact O-CB 3.24Å; W100-R103 WeakPolarHBondContact O-CB 3.31Å; W100-R103 PolarHBondContact O-N 3.25Å; W100-R103 VanDerWaalsContact O-N 3.1Å; E101-R103 VanDerWaalsContact C-N 3.29Å; E101-R103 PolarHBondContact O-N 2.93Å; R103-L106 PolarHBondContact O-N 3.21Å; R103-L107 PolarHBondContact O-N 2.92Å; R103-V117 HydrophobicContact CG-CG2 3.46Å; R103-V117 VanDerWaalsContact CG-CG2 3.46Å; R103-I123 HydrophobicContact CB-CD1 3.64Å; R103-I123 HydrophobicContact CG-CD1 4.16Å |
| 104 | D | 96.7 | Very high | 94.8 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.8 | -36.3 | -176.2 | -61.9 | -9.4 | 0 | 0 | 0 | 110.8 | W100 E101 I102 L107 A108 | W100-D104 PolarHBondContact O-N 3.49Å; E101-D104 PolarHBondContact O-N 3.17Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 3.37Å; D104-L107 PolarHBondContact O-N 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.39Å; D104-A108 PolarHBondContact O-N 3.39Å |
| 105 | R | 96.6 | Very high | 94.6 | Very high | 103 Ų | 103 | 73 Ų | 73 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 169.9 | -75.7 | -167.8 | -175 | 174.6 | 6.9 | 113.3 | Y90 E101 I102 L107 A108 D109 | Y90-R105 HydrophobicContact CD2-CB 4.46Å; Y90-R105 HydrophobicContact CE2-CB 4.2Å; E101-R105 PolarHBondContact O-N 2.87Å; I102-R105 PolarHBondContact O-N 2.97Å; R105-L107 PolarHBondContact O-N 3.35Å; R105-A108 PolarHBondContact O-N 2.94Å; R105-A108 VanDerWaalsContact O-N 3.16Å; R105-D109 WeakPolarHBondContact O-CB 3.24Å; R105-D109 PolarHBondContact O-N 3.06Å |
| 106 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.8 | -33.5 | 176.1 | -75.6 | 168.4 | 0 | 0 | 0 | 112.7 | V83 N86 I87 Y90 I102 R103 V111 C112 P118 | V83-L106 HydrophobicContact CG1-CD1 4.15Å; V83-L106 HydrophobicContact CG1-CD2 4.35Å; N86-L106 HydrophobicContact CB-CD2 3.89Å; I87-L106 HydrophobicContact CD1-CD1 4.15Å; I87-L106 HydrophobicContact CG1-CD1 3.78Å; I87-L106 HydrophobicContact CG1-CD2 4.43Å; Y90-L106 HydrophobicContact CE2-CD2 3.79Å; Y90-L106 HydrophobicContact CE2-CG 4.03Å; I102-L106 HydrophobicContact CG2-CD1 4.21Å; I102-L106 HydrophobicContact CG2-CG 4.5Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.37Å; I102-L106 PolarHBondContact O-N 3.12Å; R103-L106 PolarHBondContact O-N 3.21Å; L106-V111 HydrophobicContact CD2-CB 3.89Å; L106-V111 HydrophobicContact CD2-CG1 3.71Å; L106-V111 PolarHBondContact O-N 3.49Å; L106-V111 VanDerWaalsContact O-N 3.07Å; L106-C112 HydrophobicContact CB-CB 4.21Å; L106-C112 PolarHBondContact O-N 3.13Å; L106-P118 HydrophobicContact CD1-CG 4.18Å |
| 107 | L | 95.2 | Very high | 94.4 | Very high | 67 Ų | 67 | 70 Ų | 70 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.2 | -42.1 | 174.3 | -67.9 | 170 | 0 | 0 | 0 | 111.4 | R103 D104 R105 G110 C112 V117 | R103-L107 PolarHBondContact O-N 2.92Å; D104-L107 PolarHBondContact O-N 3.3Å; R105-L107 PolarHBondContact O-N 3.35Å; L107-G110 PolarHBondContact O-N 3.07Å; L107-C112 WeakPolarHBondContact CD2-O 3.49Å; L107-V117 HydrophobicContact CD2-CB 3.95Å; L107-V117 HydrophobicContact CD2-CG1 4.19Å; L107-V117 HydrophobicContact CD2-CG2 4.23Å; L107-V117 HydrophobicContact CG-CB 4.38Å; L107-V117 HydrophobicContact CG-CG2 4.13Å |
| 108 | A | 95.9 | Very high | 94.3 | Very high | 81 Ų | 81 | 70 Ų | 70 | 67% | 0.669 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D104 R105 G110 | D104-A108 WeakPolarHBondContact O-CB 3.39Å; D104-A108 PolarHBondContact O-N 3.39Å; R105-A108 PolarHBondContact O-N 2.94Å; R105-A108 VanDerWaalsContact O-N 3.16Å; A108-G110 PolarHBondContact O-N 3.04Å |
| 109 | D | 93.8 | Very high | 94.2 | Very high | 100 Ų | 100 | 66.9 Ų | 66.9 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 1.6 | -179.8 | -66.9 | -3.2 | 0 | 0 | 0 | 112.5 | Y90 R105 V111 | Y90-D109 WeakPolarHBondContact CE1-OD2 3.23Å; Y90-D109 VanDerWaalsContact CZ-OD2 3.25Å; Y90-D109 WeakPolarHBondContact OH-CB 3.33Å; Y90-D109 PolarHBondContact OH-OD2 3.13Å; R105-D109 WeakPolarHBondContact O-CB 3.24Å; R105-D109 PolarHBondContact O-N 3.06Å; D109-V111 HydrophobicContact CB-CG2 3.97Å; D109-V111 PolarHBondContact O-N 2.89Å |
| 110 | G | 92.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 68.7 Ų | 68.7 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 15.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L107 A108 C112 | L107-G110 PolarHBondContact O-N 3.07Å; A108-G110 PolarHBondContact O-N 3.04Å; G110-C112 VanDerWaalsContact C-N 3.28Å |
| 111 | V | 92.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 19% | 0.194 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -70.3 | -32 | 176.6 | -179 | 0 | 0 | 0 | 0 | 110.5 | V83 N86 L106 D109 | V83-V111 HydrophobicContact CG2-CG1 4.19Å; N86-V111 HydrophobicContact CB-CG1 4.13Å; N86-V111 HydrophobicContact CB-CG2 4.47Å; L106-V111 HydrophobicContact CD2-CB 3.89Å; L106-V111 HydrophobicContact CD2-CG1 3.71Å; L106-V111 PolarHBondContact O-N 3.49Å; L106-V111 VanDerWaalsContact O-N 3.07Å; D109-V111 HydrophobicContact CB-CG2 3.97Å; D109-V111 PolarHBondContact O-N 2.89Å |
| 112 | C | 92.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -131.1 | 152.5 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | V83 L106 L107 G110 N116 V117 | V83-C112 WeakPolarHBondContact CG2-SG 3.35Å; L106-C112 HydrophobicContact CB-CB 4.21Å; L106-C112 PolarHBondContact O-N 3.13Å; L107-C112 WeakPolarHBondContact CD2-O 3.49Å; G110-C112 VanDerWaalsContact C-N 3.28Å; C112-N116 WeakPolarHBondContact CA-OD1 3.45Å; C112-N116 WeakPolarHBondContact CB-OD1 3.31Å; C112-V117 HydrophobicContact CB-CB 3.85Å; C112-V117 HydrophobicContact CB-CG2 4.08Å |
| 113 | D | 92.4 | Very high | 93.7 | Very high | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | trans | -98.7 | 167.2 | 166.1 | -57.6 | -55.9 | 0 | 0 | 0 | 110.7 | Y115 N116 V117 | D113-Y115 PolarHBondContact O-N 2.95Å; D113-N116 WeakPolarHBondContact CB-ND2 3.5Å; D113-N116 VanDerWaalsContact N-CG 3.28Å; D113-N116 PolarHBondContact N-ND2 3.22Å; D113-N116 PolarHBondContact N-OD1 3.02Å; D113-N116 PolarHBondContact O-N 2.94Å; D113-N116 PolarHBondContact O-OD1 3.34Å; D113-N116 PolarHBondContact OD2-ND2 3.15Å; D113-V117 WeakPolarHBondContact O-CB 3.37Å; D113-V117 PolarHBondContact O-N 3.04Å | ||
| 114 | K | 89.9 | Confident | 93.7 | Very high | 155 Ų | 155 | 63.1 Ų | 63.1 | 67% | 0.674 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -22.2 | 176.4 | 71.6 | -167 | -178.7 | -152 | 0 | 115.2 | ||
| 115 | Y | 90 | Very high | 93.5 | Very high | 196 Ų | 196 | 67.9 Ų | 67.9 | 77% | 0.769 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -19.9 | -179.8 | -57.1 | -66.4 | 0 | 0 | 0 | 114.3 | D113 | D113-Y115 PolarHBondContact O-N 2.95Š|
| 116 | N | 90.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 64 Ų | 64 | 32% | 0.316 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -1.2 | -176.4 | 72.3 | 40.3 | 0 | 0 | 0 | 112.6 | V78 C112 D113 | V78-N116 WeakPolarHBondContact CG1-O 3.37Å; C112-N116 WeakPolarHBondContact CA-OD1 3.45Å; C112-N116 WeakPolarHBondContact CB-OD1 3.31Å; D113-N116 WeakPolarHBondContact CB-ND2 3.5Å; D113-N116 VanDerWaalsContact N-CG 3.28Å; D113-N116 PolarHBondContact N-ND2 3.22Å; D113-N116 PolarHBondContact N-OD1 3.02Å; D113-N116 PolarHBondContact O-N 2.94Å; D113-N116 PolarHBondContact O-OD1 3.34Å; D113-N116 PolarHBondContact OD2-ND2 3.15Å |
| 117 | V | 93.1 | Very high | 93 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 17% | 0.17 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -68 | 128.6 | 174.6 | 69 | 0 | 0 | 0 | 0 | 109.9 | R103 L107 C112 D113 | R103-V117 HydrophobicContact CG-CG2 3.46Å; R103-V117 VanDerWaalsContact CG-CG2 3.46Å; L107-V117 HydrophobicContact CD2-CB 3.95Å; L107-V117 HydrophobicContact CD2-CG1 4.19Å; L107-V117 HydrophobicContact CD2-CG2 4.23Å; L107-V117 HydrophobicContact CG-CB 4.38Å; L107-V117 HydrophobicContact CG-CG2 4.13Å; C112-V117 HydrophobicContact CB-CB 3.85Å; C112-V117 HydrophobicContact CB-CG2 4.08Å; D113-V117 WeakPolarHBondContact O-CB 3.37Å; D113-V117 PolarHBondContact O-N 3.04Å |
| 118 | P | 93.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.013 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 148.8 | 178.1 | 26.1 | -33 | 0 | 0 | 0 | 111.3 | V78 V83 I87 L106 I123 | V78-P118 HydrophobicContact CG1-CB 4.3Å; V83-P118 HydrophobicContact CG1-CG 3.89Å; I87-P118 HydrophobicContact CD1-CG 4.19Å; L106-P118 HydrophobicContact CD1-CG 4.18Å; P118-I123 HydrophobicContact CB-CG1 4.12Å; P118-I123 HydrophobicContact CG-CD1 4.16Å; P118-I123 HydrophobicContact CG-CG1 3.76Å |
| 119 | S | 94.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 71.4 Ų | 71.4 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 156.5 | 174 | 77 | 0 | 0 | 0 | 0 | 111.6 | S121 S122 I123 | S119-S121 PolarHBondContact O-N 3.5Å; S119-S122 WeakPolarHBondContact O-CA 3.33Å; S119-S122 WeakPolarHBondContact O-CB 3.31Å; S119-S122 PolarHBondContact O-N 3.3Å; S119-S122 WeakPolarHBondContact OG-CB 3.4Å; S119-S122 PolarHBondContact OG-N 3.22Å; S119-S122 PolarHBondContact OG-OG 3.49Å; S119-I123 WeakPolarHBondContact O-CG1 3.34Å; S119-I123 PolarHBondContact O-N 3.46Å |
| 120 | V | 95.6 | Very high | 90.5 | Very high | 51 Ų | 51 | 71 Ų | 71 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.3 | -37.2 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | A99 W100 S124 | A99-V120 HydrophobicContact CB-CG1 3.68Å; W100-V120 HydrophobicContact CB-CG2 4.27Å; V120-S124 WeakPolarHBondContact O-CB 3.42Å; V120-S124 PolarHBondContact O-N 2.6Å; V120-S124 PolarHBondContact O-OG 3.41Å |
| 121 | S | 95 | Very high | 88.8 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | S119 S124 R125 | S119-S121 PolarHBondContact O-N 3.5Å; S121-S124 PolarHBondContact O-N 2.95Å; S121-R125 PolarHBondContact O-N 2.86Å |
| 122 | S | 93 | Very high | 87 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | S119 R125 I126 | S119-S122 WeakPolarHBondContact O-CA 3.33Å; S119-S122 WeakPolarHBondContact O-CB 3.31Å; S119-S122 PolarHBondContact O-N 3.3Å; S119-S122 WeakPolarHBondContact OG-CB 3.4Å; S119-S122 PolarHBondContact OG-N 3.22Å; S119-S122 PolarHBondContact OG-OG 3.49Å; S122-R125 PolarHBondContact O-N 3.37Å; S122-I126 WeakPolarHBondContact O-CD1 3.42Å; S122-I126 VanDerWaalsContact O-CG1 3.27Å; S122-I126 WeakPolarHBondContact O-CG1 3.41Å; S122-I126 PolarHBondContact O-N 3.02Å |
| 123 | I | 94.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 175 | -65.3 | 167.6 | 0 | 0 | 0 | 109.9 | I87 A99 I102 R103 P118 S119 R125 I126 L127 | I87-I123 HydrophobicContact CD1-CG1 4.09Å; I87-I123 HydrophobicContact CG2-CG2 4.16Å; A99-I123 HydrophobicContact CB-CB 4.27Å; A99-I123 HydrophobicContact CB-CG2 3.89Å; A99-I123 WeakPolarHBondContact O-CD1 3.46Å; I102-I123 HydrophobicContact CB-CG2 4.23Å; I102-I123 HydrophobicContact CD1-CG2 4.2Å; I102-I123 HydrophobicContact CG2-CD1 4.36Å; I102-I123 HydrophobicContact CG2-CG2 3.89Å; R103-I123 HydrophobicContact CB-CD1 3.64Å; R103-I123 HydrophobicContact CG-CD1 4.16Å; P118-I123 HydrophobicContact CB-CG1 4.12Å; P118-I123 HydrophobicContact CG-CD1 4.16Å; P118-I123 HydrophobicContact CG-CG1 3.76Å; S119-I123 WeakPolarHBondContact O-CG1 3.34Å; S119-I123 PolarHBondContact O-N 3.46Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 PolarHBondContact O-N 3.24Å; I123-I126 WeakPolarHBondContact O-CB 3.3Å; I123-I126 PolarHBondContact O-N 3.27Å; I123-I126 VanDerWaalsContact O-N 3.07Å; I123-L127 HydrophobicContact CG2-CD1 4.12Å; I123-L127 HydrophobicContact CG2-CG 4.42Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.22Å |
| 124 | S | 94.8 | Very high | 82.8 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 22% | 0.217 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | A99 V120 S121 L127 R128 | A99-S124 WeakPolarHBondContact CB-OG 3.32Å; V120-S124 WeakPolarHBondContact O-CB 3.42Å; V120-S124 PolarHBondContact O-N 2.6Å; V120-S124 PolarHBondContact O-OG 3.41Å; S121-S124 PolarHBondContact O-N 2.95Å; S124-L127 PolarHBondContact O-N 3.16Å; S124-R128 WeakPolarHBondContact O-CG 3.2Å; S124-R128 PolarHBondContact O-N 2.89Å |
| 125 | R | 92.4 | Very high | 80.6 | Confident | 162 Ų | 162 | 75.5 Ų | 75.5 | 61% | 0.611 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 174.1 | -175.7 | 178.1 | -178.4 | -178.1 | -0.5 | 111.9 | S121 S122 I123 L127 R128 N129 | S121-R125 PolarHBondContact O-N 2.86Å; S122-R125 PolarHBondContact O-N 3.37Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 PolarHBondContact O-N 3.24Å; R125-L127 VanDerWaalsContact C-N 3.32Å; R125-L127 PolarHBondContact O-N 3.45Å; R125-R128 PolarHBondContact O-N 3.28Å; R125-N129 VanDerWaalsContact O-CB 3.3Å; R125-N129 WeakPolarHBondContact O-CB 3.37Å; R125-N129 VanDerWaalsContact O-CG 3.3Å; R125-N129 PolarHBondContact O-N 3.02Å |
| 126 | I | 91.8 | Very high | 77.9 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.8 | -69.4 | 160.5 | 0 | 0 | 0 | 110.4 | T79 V84 I87 S122 I123 | T79-I126 HydrophobicContact CG2-CD1 3.72Å; T79-I126 HydrophobicContact CG2-CG1 4.17Å; V84-I126 HydrophobicContact CG1-CG2 3.84Å; V84-I126 HydrophobicContact CG2-CD1 4.26Å; V84-I126 HydrophobicContact CG2-CG2 4.41Å; I87-I126 HydrophobicContact CD1-CD1 3.82Å; I87-I126 HydrophobicContact CG2-CG2 4.14Å; S122-I126 WeakPolarHBondContact O-CD1 3.42Å; S122-I126 VanDerWaalsContact O-CG1 3.27Å; S122-I126 WeakPolarHBondContact O-CG1 3.41Å; S122-I126 PolarHBondContact O-N 3.02Å; I123-I126 WeakPolarHBondContact O-CB 3.3Å; I123-I126 PolarHBondContact O-N 3.27Å; I123-I126 VanDerWaalsContact O-N 3.07Å |
| 127 | L | 91.4 | Very high | 75.6 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 176.7 | -65.7 | 175.5 | 0 | 0 | 0 | 110.7 | I87 K91 I102 I123 S124 R125 N129 I131 | I87-L127 HydrophobicContact CG2-CD2 3.63Å; I87-L127 HydrophobicContact CG2-CG 4.16Å; K91-L127 HydrophobicContact CB-CD2 3.89Å; K91-L127 HydrophobicContact CG-CD2 3.99Å; I102-L127 HydrophobicContact CD1-CD1 3.88Å; I102-L127 HydrophobicContact CD1-CD2 4.38Å; I123-L127 HydrophobicContact CG2-CD1 4.12Å; I123-L127 HydrophobicContact CG2-CG 4.42Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.22Å; S124-L127 PolarHBondContact O-N 3.16Å; R125-L127 VanDerWaalsContact C-N 3.32Å; R125-L127 PolarHBondContact O-N 3.45Å; L127-N129 PolarHBondContact O-N 3.37Å; L127-I131 HydrophobicContact CB-CD1 3.65Å; L127-I131 HydrophobicContact CD2-CD1 3.95Å; L127-I131 HydrophobicContact CG-CD1 4.36Å; L127-I131 VanDerWaalsContact O-CB 3.25Å; L127-I131 WeakPolarHBondContact O-CB 3.28Å; L127-I131 WeakPolarHBondContact O-CD1 3.48Å; L127-I131 WeakPolarHBondContact O-CG1 3.36Å; L127-I131 PolarHBondContact O-N 2.93Å |
| 128 | R | 88.4 | Confident | 72.9 | Confident | 169 Ų | 169 | 82.9 Ų | 82.9 | 64% | 0.638 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 179.9 | -70.2 | -171.1 | -58.3 | -93.1 | 3.3 | 113.9 | S124 R125 K130 | S124-R128 WeakPolarHBondContact O-CG 3.2Å; S124-R128 PolarHBondContact O-N 2.89Å; R125-R128 PolarHBondContact O-N 3.28Å; R128-K130 VanDerWaalsContact C-N 3.25Å; R128-K130 PolarHBondContact O-N 3.08Å |
| 129 | N | 78.9 | Confident | 70.1 | Confident | 115 Ų | 115 | 92.1 Ų | 92.1 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.1 | -14 | -174 | -80.2 | -10.1 | 0 | 0 | 0 | 114.6 | R125 L127 | R125-N129 VanDerWaalsContact O-CB 3.3Å; R125-N129 WeakPolarHBondContact O-CB 3.37Å; R125-N129 VanDerWaalsContact O-CG 3.3Å; R125-N129 PolarHBondContact O-N 3.02Å; L127-N129 PolarHBondContact O-N 3.37Å |
| 130 | K | 64.4 | Low | 67.3 | Low | 93 Ų | 93 | 99.3 Ų | 99.3 | 40% | 0.404 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -135.8 | -13.3 | -173.2 | -154.1 | 170 | 176.9 | -170.2 | 0 | 115.3 | R128 G132 N133 | R128-K130 VanDerWaalsContact C-N 3.25Å; R128-K130 PolarHBondContact O-N 3.08Å; K130-G132 VanDerWaalsContact C-N 3.25Å; K130-G132 PolarHBondContact O-N 2.91Å; K130-N133 PolarHBondContact O-N 2.8Å; K130-N133 VanDerWaalsContact O-N 3.16Å |
| 131 | I | 57.8 | Low | 64.3 | Low | 72 Ų | 72 | 105.7 Ų | 105.7 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.4 | -24.5 | 173 | -66.5 | 165.4 | 0 | 0 | 0 | 111.6 | K91 L127 N133 L134 | K91-I131 HydrophobicContact CG-CD1 4.29Å; L127-I131 HydrophobicContact CB-CD1 3.65Å; L127-I131 HydrophobicContact CD2-CD1 3.95Å; L127-I131 HydrophobicContact CG-CD1 4.36Å; L127-I131 VanDerWaalsContact O-CB 3.25Å; L127-I131 WeakPolarHBondContact O-CB 3.28Å; L127-I131 WeakPolarHBondContact O-CD1 3.48Å; L127-I131 WeakPolarHBondContact O-CG1 3.36Å; L127-I131 PolarHBondContact O-N 2.93Å; I131-N133 PolarHBondContact O-N 2.8Å; I131-L134 HydrophobicContact CG1-CD1 4.45Å; I131-L134 PolarHBondContact O-N 2.91Å |
| 132 | G | 53.8 | Low | 61.4 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 62% | 0.619 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K130 | K130-G132 VanDerWaalsContact C-N 3.25Å; K130-G132 PolarHBondContact O-N 2.91Å |
| 133 | N | 45.4 | Very low | 58.6 | Low | 135 Ų | 135 | 108.8 Ų | 108.8 | 72% | 0.722 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -1.2 | 179.5 | -70.8 | 50.8 | 0 | 0 | 0 | 113.6 | K130 I131 | K130-N133 PolarHBondContact O-N 2.8Å; K130-N133 VanDerWaalsContact O-N 3.16Å; I131-N133 PolarHBondContact O-N 2.8Å |
| 134 | L | 51.9 | Low | 56.1 | Low | 91 Ų | 91 | 118.3 Ų | 118.3 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -92.4 | -5.2 | 178.2 | -83.3 | 153.8 | 0 | 0 | 0 | 112.9 | I131 Q136 | I131-L134 HydrophobicContact CG1-CD1 4.45Å; I131-L134 PolarHBondContact O-N 2.91Å; L134-Q136 PolarHBondContact O-N 3.5Å |
| 135 | S | 42.1 | Very low | 53.2 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -86.9 | 10.3 | -179.7 | 17.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 136 | Q | 34.1 | Very low | 50.5 | Low | 165 Ų | 165 | 122.6 Ų | 122.6 | 77% | 0.771 | 64% | 0.644 | S | S | * | * | trans | -133.2 | 109.2 | 170.9 | -70.5 | -70.4 | 21.9 | 0 | 0 | 111.2 | L134 | L134-Q136 PolarHBondContact O-N 3.5Š| ||
| 137 | P | 40.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | trans | -65.5 | 132.8 | 159.2 | 28 | -28.8 | 0 | 0 | 0 | 108.7 | Q139 | P137-Q139 PolarHBondContact O-N 3.48Å; P137-Q139 VanDerWaalsContact O-N 3.07Å | ||
| 138 | N | 36.4 | Very low | 44.8 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | trans | -39.8 | 111.9 | 166.2 | -99.5 | -16 | 0 | 0 | 0 | 111 | ||||
| 139 | Q | 35.5 | Very low | 42.4 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | -98.5 | 108.1 | 148.7 | -85.2 | -156.9 | 73.2 | 0 | 0 | 108.1 | P137 | P137-Q139 PolarHBondContact O-N 3.48Å; P137-Q139 VanDerWaalsContact O-N 3.07Å | ||
| 140 | Y | 35.6 | Very low | 40.3 | Very low | 214 Ų | 214 | 132 Ų | 132 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -89.9 | 109 | 166.5 | -165.1 | -87.4 | 0 | 0 | 0 | 106.4 | ||||
| 141 | E | 32.5 | Very low | 38.9 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -153 | 129.3 | 143.3 | -154.4 | 170.4 | 129.1 | 0 | 0 | 111.3 | ||||
| 142 | S | 34.8 | Very low | 38 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -86.3 | 131.2 | 174.3 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 143 | S | 33.1 | Very low | 36.9 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 152.5 | 128.6 | 122.3 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 144 | K | 41.2 | Very low | 36.4 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | 38.3 | 126.2 | 148.4 | -59 | -177.1 | -179.9 | -179.1 | 0 | 119.4 | ||||
| 145 | Q | 33.9 | Very low | 35.6 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | 166.1 | 139.5 | 95.4 | -163.3 | 152.1 | -9.7 | 0 | 0 | 110.6 | |||||
| 146 | A | 35.6 | Very low | 35.8 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -74.5 | 140.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 147 | S | 30.3 | Very low | 36 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 179.6 | 128.7 | 139.9 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 148 | A | 34.4 | Very low | 36.2 | Very low | 105 Ų | 105 | 153.1 Ų | 153.1 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | 60.1 | 144.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 149 | Q | 38.1 | Very low | 36.6 | Very low | 200 Ų | 200 | 150.1 Ų | 150.1 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -65.8 | 145.2 | -175.6 | -62.9 | 174.3 | -41.1 | 0 | 0 | 115.2 | ||||
| 150 | A | 35 | Very low | 36.3 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -168.5 | 126 | 138.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 151 | G | 34.9 | Very low | 36.3 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | 99 | 70.9 | 44.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 152 | L | 37.5 | Very low | 36.4 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -132.6 | 125.9 | 167.8 | -74.2 | 178.6 | 0 | 0 | 0 | 111.5 | ||||
| 153 | S | 32 | Very low | 36.4 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -69.4 | 137.1 | -174.9 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 154 | Y | 34.4 | Very low | 36.4 | Very low | 222 Ų | 222 | 152.9 Ų | 152.9 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -118.3 | 129.8 | 158.5 | -144.4 | -95.7 | 0 | 0 | 0 | 109.7 | ||||
| 155 | N | 36 | Very low | 36.2 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -70.2 | 124 | -172.8 | -81.6 | -86.4 | 0 | 0 | 0 | 111.8 | ||||
| 156 | H | 44.7 | Very low | 36.3 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -97.8 | 112.1 | 162.3 | -77.4 | -67.8 | 0 | 0 | 0 | 109.6 | Y158 | H156-Y158 PolarHBondContact O-N 2.91Š| ||
| 157 | I | 39.2 | Very low | 36.3 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | trans | -83.8 | 92.6 | 172 | -69.3 | 165.3 | 0 | 0 | 0 | 107.8 | ||||
| 158 | Y | 45.2 | Very low | 37.1 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | 52.3 | 169.1 | 149.2 | -65.5 | -74.4 | 0 | 0 | 0 | 120.9 | H156 | H156-Y158 PolarHBondContact O-N 2.91Š| ||
| 159 | P | 44.2 | Very low | 37.2 | Very low | 101 Ų | 101 | 150.1 Ų | 150.1 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | -132 | 157 | -80.9 | 34.4 | -14.9 | 0 | 0 | 0 | 112.3 | |||||
| 160 | Y | 30.5 | Very low | 37 | Very low | 230 Ų | 230 | 144.3 Ų | 144.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -165.7 | 127.4 | 142.1 | -120.4 | -83 | 0 | 0 | 0 | 111.3 | ||||
| 161 | S | 35.7 | Very low | 37 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 138.5 | -175.7 | -39.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 162 | Y | 33.1 | Very low | 37.1 | Very low | 230 Ų | 230 | 150.7 Ų | 150.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 126.8 | 153 | -98.3 | -81.3 | 0 | 0 | 0 | 111.1 | ||||
| 163 | T | 36 | Very low | 37.1 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -85.7 | 137.1 | 176.8 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 164 | N | 33.3 | Very low | 37 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 30.5 | 133 | 150.6 | -80.4 | 14.9 | 0 | 0 | 0 | 121 | ||||
| 165 | A | 36 | Very low | 37.1 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | 168.3 | 143.5 | 92.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 166 | M | 35.5 | Very low | 37.7 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | 1 | 138 | 156.8 | -110.4 | 65.1 | 166.7 | 0 | 0 | 121.5 | ||||
| 167 | S | 36.1 | Very low | 38 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -57.6 | 160.4 | 158.7 | -41.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | P | 47.7 | Very low | 37.6 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | -153 | 169.8 | 74.8 | 37.9 | -16 | 0 | 0 | 0 | 117.3 | |||||
| 169 | T | 36.2 | Very low | 37.2 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | 26.7 | 134.1 | 148.9 | 59.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 170 | G | 33.4 | Very low | 37.5 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 155.7 | 118.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 171 | T | 35.6 | Very low | 37.6 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -47.5 | 151.4 | 171.7 | 34 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 172 | K | 37.7 | Very low | 37.8 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | 75.5 | 127.5 | 132.9 | 83.3 | -167.8 | 174.6 | -178.9 | 0 | 122.6 | ||||
| 173 | M | 36.2 | Very low | 37.7 | Very low | 191 Ų | 191 | 127 Ų | 127 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | 73.4 | 135.8 | 136.7 | -69.6 | -106.1 | -89.1 | 0 | 0 | 121 | ||||
| 174 | G | 29.8 | Very low | 37.8 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 122 | 100.2 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 175 | T | 36.9 | Very low | 38.1 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -47.3 | 163.8 | 148 | 6.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 176 | P | 48.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | cis | -148 | -137.6 | 43.7 | 32.2 | -2.9 | 0 | 0 | 0 | 113.3 | ||||
| 177 | P | 51.1 | Low | 39 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -125.4 | 179.3 | -92.7 | 39.6 | -21.9 | 0 | 0 | 0 | 114.5 | |||||
| 178 | G | 31.5 | Very low | 39.5 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 135.5 | 110.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 179 | V | 36.8 | Very low | 39 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -74.2 | -178.8 | 165.3 | -74.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 180 | P | 49 | Very low | 40 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -133.1 | 157.2 | -26 | 29.7 | -10.8 | 0 | 0 | 0 | 113.6 | ||||
| 181 | V | 34.1 | Very low | 40.5 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -145.9 | 148.3 | 150.3 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | T | 38.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -82.6 | 173.9 | -162.9 | 55.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 183 | A | 32 | Very low | 41.6 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 93.9 | 99.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 184 | G | 37.5 | Very low | 42 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | 76.1 | 95.2 | 116.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 185 | H | 39.9 | Very low | 42.8 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -159.8 | 121.3 | 133.6 | -149.4 | -108.5 | 0 | 0 | 0 | 110.6 | S187 | H185-S187 PolarHBondContact O-N 3.11Å; H185-S187 VanDerWaalsContact O-N 3.12Å | ||
| 186 | V | 48.9 | Very low | 43.3 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -68 | 104.6 | 169.8 | -82.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 187 | S | 40.7 | Very low | 43.2 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | trans | -118.4 | 102.7 | 173.2 | -54.5 | 0 | 0 | 0 | 0 | 108.6 | H185 S189 | H185-S187 PolarHBondContact O-N 3.11Å; H185-S187 VanDerWaalsContact O-N 3.12Å; S187-S189 PolarHBondContact O-N 2.84Å; S187-S189 PolarHBondContact O-OG 2.86Å | ||
| 188 | I | 46.1 | Very low | 43.2 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | trans | -56.4 | 101.8 | 170.4 | -78.7 | 151.9 | 0 | 0 | 0 | 108 | R190 | I188-R190 PolarHBondContact O-N 3.28Š| ||
| 189 | S | 39 | Very low | 44.1 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -81.5 | 105.3 | 173.6 | -64.3 | 0 | 0 | 0 | 0 | 108.2 | S187 A191 | S187-S189 PolarHBondContact O-N 2.84Å; S187-S189 PolarHBondContact O-OG 2.86Å; S189-A191 PolarHBondContact O-N 2.92Å | ||
| 190 | R | 56.4 | Low | 44.5 | Very low | 234 Ų | 234 | 134.2 Ų | 134.2 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 83 | 159.9 | -79.8 | -177.5 | -173.9 | -117 | 1.3 | 108.2 | I188 | I188-R190 PolarHBondContact O-N 3.28Š| ||
| 191 | A | 44.8 | Very low | 44.7 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 123.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S189 | S189-A191 PolarHBondContact O-N 2.92Š|
| 192 | W | 39.7 | Very low | 45.1 | Very low | 249 Ų | 249 | 137.3 Ų | 137.3 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 124.1 | 168.9 | -74.5 | 78.3 | 0 | 0 | 0 | 108.7 | S194 | W192-S194 PolarHBondContact O-N 3.39Š|
| 193 | P | 55.6 | Low | 45.6 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 127.9 | -179.7 | -19.2 | 31.1 | 0 | 0 | 0 | 111.5 | ||
| 194 | S | 45.9 | Very low | 46.3 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 141.2 | 170.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | W192 H196 | W192-S194 PolarHBondContact O-N 3.39Å; S194-H196 VanDerWaalsContact C-N 3.26Å; S194-H196 PolarHBondContact O-N 3.28Å |
| 195 | P | 46.1 | Very low | 46.6 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -82.6 | 58.5 | -168.4 | 35.2 | -36.9 | 0 | 0 | 0 | 112.9 | ||
| 196 | H | 47.3 | Very low | 46.4 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | -145.6 | 80.3 | 168.6 | -52.7 | -70.7 | 0 | 0 | 0 | 110.2 | S194 | S194-H196 VanDerWaalsContact C-N 3.26Å; S194-H196 PolarHBondContact O-N 3.28Å | ||
| 197 | T | 45.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 178.9 | 110.7 | 142.7 | -69 | 0 | 0 | 0 | 0 | 107.6 | S199 | T197-S199 PolarHBondContact O-N 2.92Š| ||
| 198 | V | 51.8 | Low | 45.5 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 98.9 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 199 | S | 49.9 | Very low | 45 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | -165.6 | 134.6 | 154.8 | -85.9 | 0 | 0 | 0 | 0 | 109.6 | T197 | T197-S199 PolarHBondContact O-N 2.92Š| ||
| 200 | N | 46.6 | Very low | 45.3 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 82.3 | 69.6 | 179.9 | -65.1 | -4.6 | 0 | 0 | 0 | 117.4 | ||||
| 201 | I | 52.2 | Low | 44.1 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -120.2 | 81.8 | 143.1 | -56.8 | 177.9 | 0 | 0 | 0 | 106.8 | ||
| 202 | L | 43.5 | Very low | 43.5 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | 176.3 | 81.7 | 152.5 | -93.8 | 153.9 | 0 | 0 | 0 | 105.9 | I204 | L202-I204 PolarHBondContact O-N 3.25Š| ||
| 203 | G | 47.7 | Very low | 43.4 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 100.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 204 | I | 47.2 | Very low | 42.2 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -124.3 | 103.5 | 155.6 | -56.7 | -178.2 | 0 | 0 | 0 | 107 | L202 | L202-I204 PolarHBondContact O-N 3.25Š| ||
| 205 | R | 44.1 | Very low | 41.4 | Very low | 239 Ų | 239 | 136.9 Ų | 136.9 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 122.2 | 168.9 | -134.3 | 178.8 | -157.9 | 179.6 | 4.7 | 107.3 | ||||
| 206 | A | 35.9 | Very low | 40.9 | Very low | 64 Ų | 64 | 137.8 Ų | 137.8 | 53% | 0.529 | 80% | 0.8 | S | S | . | * | 88.7 | 150.4 | 129.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 207 | F | 34.1 | Very low | 40.2 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | 94.2 | 98.8 | 152.4 | -51.2 | -72.2 | 0 | 0 | 0 | 118.1 | ||||
| 208 | M | 37.1 | Very low | 39.4 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 95% | 0.946 | 81% | 0.805 | S | S | * | * | -179.5 | 158.1 | 100.8 | -118.2 | 156.9 | 56.4 | 0 | 0 | 112.2 | |||||
| 209 | D | 35.6 | Very low | 38.4 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -86.2 | -167.9 | -157.8 | -140.2 | -4.4 | 0 | 0 | 0 | 113.4 | ||||
| 210 | P | 44 | Very low | 38.1 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 62% | 0.617 | 81% | 0.805 | S | S | * | * | trans | -106.3 | -163.5 | -145.4 | 25.1 | 3.1 | 0 | 0 | 0 | 110.6 | ||||
| 211 | T | 31.6 | Very low | 38 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | 78.7 | 86.7 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 212 | A | 32.5 | Very low | 37 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -145.4 | 114.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 213 | I | 36.9 | Very low | 36.8 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -103.4 | 146.3 | -176.5 | -48.8 | 172 | 0 | 0 | 0 | 107.3 | ||||
| 214 | A | 31.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 103.5 | 128.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 215 | G | 29.3 | Very low | 35.6 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 126.4 | 64.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 216 | T | 35.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | 51.7 | 140.7 | 90 | 66.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 217 | E | 31.2 | Very low | 35.3 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 85.9 | 120.7 | 179.2 | -38.4 | -157.8 | 177 | 0 | 0 | 114.3 | ||||
| 218 | G | 30.4 | Very low | 35.4 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 150.1 | 115.2 | 5.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | Y | 30.3 | Very low | 35.6 | Very low | 231 Ų | 231 | 138.6 Ų | 138.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 73.3 | 154 | 162.3 | -94.9 | -100 | 0 | 0 | 0 | 121.3 | ||||
| 220 | P | 44.1 | Very low | 35.8 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | -127.8 | 169.5 | -56.4 | 40.2 | -26.2 | 0 | 0 | 0 | 114 | K222 | P220-K222 PolarHBondContact O-N 3.01Š| |||
| 221 | T | 43.2 | Very low | 35.6 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -53.5 | 123.2 | 166.3 | -46 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 222 | K | 32.1 | Very low | 35.9 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -128.8 | 112.9 | 160.3 | -148 | -177 | -177.8 | -167.6 | 0 | 109.6 | P220 | P220-K222 PolarHBondContact O-N 3.01Š| ||
| 223 | M | 40 | Very low | 36.2 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 118.3 | 170.9 | -174.6 | 176.8 | -175.7 | 0 | 0 | 107.4 | ||||
| 224 | E | 36.9 | Very low | 36.2 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -110 | 113.3 | 171.1 | -93 | 172 | 139.7 | 0 | 0 | 110.2 | ||||
| 225 | D | 31.9 | Very low | 36.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -66.9 | 123.9 | 178.6 | -166.8 | 43.3 | 0 | 0 | 0 | 109.9 | S227 | D225-S227 VanDerWaalsContact C-N 3.27Å; D225-S227 PolarHBondContact O-N 3.2Å; D225-S227 VanDerWaalsContact O-N 3.08Å; D225-S227 PolarHBondContact OD2-OG 3.08Å | ||
| 226 | W | 34.7 | Very low | 37.2 | Very low | 254 Ų | 254 | 147.9 Ų | 147.9 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | trans | -81.9 | 78.2 | 170.4 | -91.2 | 57.7 | 0 | 0 | 0 | 109 | ||||
| 227 | S | 38.3 | Very low | 37.1 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 52% | 0.517 | 80% | 0.8 | S | S | . | * | trans | -120.1 | 127.6 | 168.5 | 51 | 0 | 0 | 0 | 0 | 110.5 | D225 | D225-S227 VanDerWaalsContact C-N 3.27Å; D225-S227 PolarHBondContact O-N 3.2Å; D225-S227 VanDerWaalsContact O-N 3.08Å; D225-S227 PolarHBondContact OD2-OG 3.08Å | ||
| 228 | S | 37.9 | Very low | 37.4 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 88.1 | 76.3 | 160.4 | -42.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 229 | V | 40.6 | Very low | 37.6 | Very low | 143 Ų | 143 | 148 Ų | 148 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -91.2 | 95.4 | 148.5 | -138.3 | 0 | 0 | 0 | 0 | 108.1 | R231 | V229-R231 PolarHBondContact O-N 2.79Š| ||
| 230 | N | 39.3 | Very low | 37.9 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 113.2 | 177.7 | -134.1 | -4.1 | 0 | 0 | 0 | 109.2 | ||||
| 231 | R | 40.1 | Very low | 37.4 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 125.4 | 174.8 | -168.6 | -177.3 | -91 | 170 | -6.8 | 108.1 | V229 A233 | V229-R231 PolarHBondContact O-N 2.79Å; R231-A233 PolarHBondContact O-N 3.47Å |
| 232 | A | 37.8 | Very low | 36.8 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 127.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 233 | A | 38.6 | Very low | 37.2 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83 | 135.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | R231 | R231-A233 PolarHBondContact O-N 3.47Š|
| 234 | F | 36.9 | Very low | 37.1 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 139.7 | 168.5 | -71.7 | -89.6 | 0 | 0 | 0 | 109.9 | ||
| 235 | P | 41.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130.6 | 174.8 | 30.7 | -30.3 | 0 | 0 | 0 | 110.1 | ||
| 236 | A | 39.6 | Very low | 37.9 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 128.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 237 | S | 34 | Very low | 38.1 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -171.6 | 149.6 | 163.1 | 52.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 238 | H | 36.7 | Very low | 38.5 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | cis | -161.7 | 151.4 | -14.3 | -109.4 | -70 | 0 | 0 | 0 | 105.1 | ||||
| 239 | T | 35.2 | Very low | 38.5 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -55.9 | 140.8 | 165.3 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 240 | V | 35.5 | Very low | 38.5 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -153.7 | 127.7 | 146.9 | 125.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 241 | N | 35 | Very low | 38.6 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 152.2 | 169.9 | -86.4 | -16.2 | 0 | 0 | 0 | 111 | ||||
| 242 | G | 31 | Very low | 39 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 145.1 | 100.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 243 | I | 40.5 | Very low | 39.4 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | 58.3 | 111.7 | 133.9 | -59.2 | 153.3 | 0 | 0 | 0 | 117.8 | ||||
| 244 | D | 36.3 | Very low | 39.2 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | -162.2 | 136.5 | 116 | -95.5 | -41.7 | 0 | 0 | 0 | 112.1 | |||||
| 245 | K | 41.8 | Very low | 39.3 | Very low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -90.9 | 154.2 | 174.7 | -153.8 | 173.6 | 178.4 | 176.4 | 0 | 107.3 | ||||
| 246 | P | 45.2 | Very low | 39.3 | Very low | 128 Ų | 128 | 142 Ų | 142 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -139.6 | 150.4 | 100 | 31.9 | -16.7 | 0 | 0 | 0 | 113.6 | |||||
| 247 | A | 38.5 | Very low | 39.6 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | trans | -80.4 | 142.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 248 | I | 46.2 | Very low | 39.9 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -150 | 134 | 135.6 | 51.5 | 169.7 | 0 | 0 | 0 | 109.4 | ||||
| 249 | D | 38.7 | Very low | 40.6 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -79.7 | 152.9 | -177.2 | -118.5 | -65.5 | 0 | 0 | 0 | 112.8 | ||||
| 250 | A | 40.8 | Very low | 41.4 | Very low | 95 Ų | 95 | 156 Ų | 156 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | 179.5 | 93.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 251 | D | 41.1 | Very low | 41.6 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 66% | 0.658 | 83% | 0.827 | S | S | * | * | trans | -28.6 | 122.7 | 152.1 | -161.2 | -3.5 | 0 | 0 | 0 | 115.9 | ||||
| 252 | I | 48.7 | Very low | 42 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -138.5 | 116.5 | 155.4 | -57.9 | -176.4 | 0 | 0 | 0 | 110.7 | ||||
| 253 | K | 45.8 | Very low | 42.6 | Very low | 173 Ų | 173 | 160.9 Ų | 160.9 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -69.2 | 147.6 | -175.9 | -69.2 | 167.8 | 176.9 | 170.4 | 0 | 114.3 | ||||
| 254 | Y | 33.1 | Very low | 42.7 | Very low | 233 Ų | 233 | 161.2 Ų | 161.2 | 91% | 0.914 | 83% | 0.834 | S | S | * | * | trans | -61.2 | 133.1 | 163.9 | -89.4 | -99.5 | 0 | 0 | 0 | 112 | ||||
| 255 | A | 40.3 | Very low | 43.1 | Very low | 96 Ų | 96 | 161.1 Ų | 161.1 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | -103.8 | 114.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 256 | Q | 40.6 | Very low | 43.2 | Very low | 187 Ų | 187 | 160 Ų | 160 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 126.7 | 163.9 | -80 | -107.9 | -42.1 | 0 | 0 | 109 | ||
| 257 | V | 46.4 | Very low | 43.1 | Very low | 127 Ų | 127 | 162.3 Ų | 162.3 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 117.5 | 168.5 | 176 | 0 | 0 | 0 | 0 | 108.3 | Q259 | V257-Q259 HydrophobicContact CG1-CG 4.48Š|
| 258 | K | 41.5 | Very low | 43.4 | Very low | 203 Ų | 203 | 169.1 Ų | 169.1 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 121.7 | 171 | -145.1 | 178.6 | -172.8 | -176.2 | 0 | 107.1 | ||
| 259 | Q | 50.5 | Low | 43.2 | Very low | 183 Ų | 183 | 168.6 Ų | 168.6 | 86% | 0.855 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 158.8 | 168.5 | -83.5 | -171.8 | -16.3 | 0 | 0 | 111 | V257 | V257-Q259 HydrophobicContact CG1-CG 4.48Š|
| 260 | K | 51.1 | Low | 43.6 | Very low | 280 Ų | 280 | 169.5 Ų | 169.5 | 100% | 1.217 | 85% | 0.85 | S | S | * | * | trans | -78.7 | 0 | -143.8 | -161.4 | -179.8 | -175.9 | -176.6 | 0 | 115.1 |
Retrieved 260 of 260 residues in 161.8 ms
(Link to these results)