| 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 | 45.1 | Very low | 77.3 | Confident | 242 Ų | 242 | 138.6 Ų | 138.6 | 100% | 1.192 | 75% | 0.752 | S | S | * | * | 0 | 109.2 | 0 | -68 | -161.4 | 169.7 | 0 | 0 | 107.6 | A3 | M1-A3 PolarHBondContact O-N 2.77Å; M1-A3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | S | 57.1 | Low | 78.8 | Confident | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -64.8 | 110.7 | 170.7 | 52.8 | 0 | 0 | 0 | 0 | 107.1 | S4 | S2-S4 PolarHBondContact O-N 3.27Å; S2-S4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | A | 71.8 | Confident | 79.9 | Confident | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | trans | -51.8 | 122.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | M1 S5 | M1-A3 PolarHBondContact O-N 2.77Å; M1-A3 VanDerWaalsContact O-N 3.12Å; A3-S5 PolarHBondContact O-N 3.1Å | ||
| 4 | S | 68.7 | Low | 80.9 | Confident | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | trans | -48.7 | 128.1 | 175.5 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | S2 T6 | S2-S4 PolarHBondContact O-N 3.27Å; S2-S4 VanDerWaalsContact O-N 3.1Å; S4-T6 VanDerWaalsContact C-N 3.27Å; S4-T6 PolarHBondContact O-N 3.12Å | ||
| 5 | S | 74 | Confident | 81.6 | Confident | 115 Ų | 115 | 123.3 Ų | 123.3 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -67.8 | 81.7 | -176.5 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | A3 | A3-S5 PolarHBondContact O-N 3.1Š| ||
| 6 | T | 83.3 | Confident | 82 | Confident | 109 Ų | 109 | 128.1 Ų | 128.1 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -76.5 | 120.9 | 165 | 48.5 | 0 | 0 | 0 | 0 | 107.7 | S4 | S4-T6 VanDerWaalsContact C-N 3.27Å; S4-T6 PolarHBondContact O-N 3.12Å | ||
| 7 | R | 85.5 | Confident | 82.2 | Confident | 240 Ų | 240 | 123.6 Ų | 123.6 | 91% | 0.906 | 66% | 0.658 | S | S | * | * | trans | -90.8 | 121.8 | 173.1 | -67.9 | -178.5 | 179.3 | 171.5 | -0.1 | 107.8 | ||||
| 8 | E | 87.9 | Confident | 82.6 | Confident | 133 Ų | 133 | 119.4 Ų | 119.4 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | trans | -114.5 | 135 | 174.9 | -68.1 | 177.2 | 179.1 | 0 | 0 | 108.6 | F10 | E8-F10 HydrophobicContact CB-CD2 4.4Å; E8-F10 HydrophobicContact CB-CE2 3.53Å; E8-F10 HydrophobicContact CB-CZ 3.78Å; E8-F10 VanDerWaalsContact OE2-CZ 3.32Å; E8-F10 WeakPolarHBondContact OE2-CZ 3.32Å | ||
| 9 | E | 90.1 | Very high | 82.6 | Confident | 182 Ų | 182 | 119.5 Ų | 119.5 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | trans | -102.1 | 132.8 | 177.3 | -67.6 | -177.2 | -178.5 | 0 | 0 | 109.7 | ||||
| 10 | F | 93 | Very high | 82.7 | Confident | 80 Ų | 80 | 122.7 Ų | 122.7 | 35% | 0.351 | 66% | 0.658 | S | S | . | * | trans | -124.4 | 141 | -176.2 | -64.3 | -84.6 | 0 | 0 | 0 | 111 | E8 N130 F132 | E8-F10 HydrophobicContact CB-CD2 4.4Å; E8-F10 HydrophobicContact CB-CE2 3.53Å; E8-F10 HydrophobicContact CB-CZ 3.78Å; E8-F10 VanDerWaalsContact OE2-CZ 3.32Å; E8-F10 WeakPolarHBondContact OE2-CZ 3.32Å; F10-N130 HydrophobicContact CD1-CB 4.26Å; F10-F132 HydrophobicContact CB-CD2 3.92Å; F10-F132 HydrophobicContact CB-CE2 4.07Å; F10-F132 AromaticContact CD1-CD2 3.99Å; F10-F132 HydrophobicContact CD1-CD2 3.99Å; F10-F132 AromaticContact CD1-CE2 3.45Å; F10-F132 HydrophobicContact CD1-CE2 3.45Å; F10-F132 VanDerWaalsContact CD1-CE2 3.45Å; F10-F132 HydrophobicContact CD2-CE2 4.34Å; F10-F132 AromaticContact CE1-CE2 3.94Å; F10-F132 HydrophobicContact CE1-CE2 3.94Å; F10-F132 HydrophobicContact CG-CD2 4.08Å; F10-F132 AromaticContact CG-CE2 3.7Å; F10-F132 HydrophobicContact CG-CE2 3.7Å | ||
| 11 | I | 93.8 | Very high | 82.9 | Confident | 112 Ų | 112 | 122.8 Ų | 122.8 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.1 | 173 | -59.6 | 173.9 | 0 | 0 | 0 | 108.2 | R13 N130 I131 F132 | I11-R13 HydrophobicContact CG2-CG 4.38Å; I11-N130 PolarHBondContact N-O 3.21Å; I11-I131 WeakPolarHBondContact O-CA 3.31Å; I11-F132 PolarHBondContact O-N 3.31Å |
| 12 | V | 95.1 | Very high | 85.1 | Confident | 76 Ų | 76 | 118.1 Ų | 118.1 | 46% | 0.461 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.4 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | F124 F132 A134 | V12-F124 HydrophobicContact CB-CE1 4.37Å; V12-F124 HydrophobicContact CG1-CD1 4.13Å; V12-F124 HydrophobicContact CG1-CE1 3.53Å; V12-F124 HydrophobicContact CG1-CZ 4.49Å; V12-F124 HydrophobicContact CG2-CD1 4.33Å; V12-F124 HydrophobicContact CG2-CE1 3.86Å; V12-F132 CarbonylContact C-O 3.55Å; V12-F132 WeakPolarHBondContact CA-O 3.36Å; V12-F132 HydrophobicContact CG2-CB 4.43Å; V12-A134 HydrophobicContact CG1-CB 3.81Å |
| 13 | R | 94.1 | Very high | 86.8 | Confident | 118 Ų | 118 | 114 Ų | 114 | 45% | 0.445 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 148.4 | 171.2 | -55.6 | -174.7 | -57.7 | -166.3 | 0.7 | 109.3 | I11 P15 I131 F132 D133 A134 | I11-R13 HydrophobicContact CG2-CG 4.38Å; R13-P15 WeakPolarHBondContact O-CD 3.24Å; R13-I131 HydrophobicContact CG-CG2 4.24Å; R13-F132 PolarHBondContact N-O 3Å; R13-D133 IonicContact CZ-OD1 3.28Å; R13-D133 VanDerWaalsContact CZ-OD1 3.28Å; R13-D133 IonicContact NE-OD1 2.83Å; R13-D133 PolarHBondContact NE-OD1 3.28Å; R13-D133 IonicContact NH2-OD1 2.86Å; R13-D133 PolarHBondContact NH2-OD1 3.47Å; R13-D133 IonicContact NH2-OD2 3.09Å; R13-D133 PolarHBondContact NH2-OD2 3.35Å; R13-D133 VanDerWaalsContact NH2-OD2 3.09Å; R13-D133 CarbonylContact O-C 3.54Å; R13-D133 WeakPolarHBondContact O-CA 2.98Å; R13-A134 PolarHBondContact O-N 2.9Å |
| 14 | V | 94 | Very high | 87.8 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | trans | -114.9 | 96.3 | 172.1 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | W122 A134 | V14-W122 HydrophobicContact CB-CZ3 4.48Å; V14-W122 HydrophobicContact CG1-CH2 3.91Å; V14-W122 HydrophobicContact CG1-CZ3 3.66Å; V14-W122 HydrophobicContact CG2-CH2 4.39Å; V14-W122 HydrophobicContact CG2-CZ3 4Å; V14-A134 HydrophobicContact CG2-CB 4.24Å | ||
| 15 | P | 90.7 | Very high | 88.9 | Confident | 40 Ų | 40 | 109.1 Ų | 109.1 | 26% | 0.26 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 140.3 | 175.1 | -18.4 | 32.3 | 0 | 0 | 0 | 111 | R13 L17 D133 Y135 | R13-P15 WeakPolarHBondContact O-CD 3.24Å; P15-L17 WeakPolarHBondContact O-CD1 3.14Å; P15-L17 PolarHBondContact O-N 3.09Å; P15-D133 HydrophobicContact CG-CB 3.89Å; P15-Y135 HydrophobicContact CB-CE1 4.17Å; P15-Y135 HydrophobicContact CG-CE1 4.07Å |
| 16 | E | 88.5 | Confident | 89.9 | Confident | 200 Ų | 200 | 107.2 Ų | 107.2 | 94% | 0.935 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 119.4 | 169.6 | -65.9 | -175.9 | 175.9 | 0 | 0 | 109.4 | ||
| 17 | L | 85.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 105.8 Ų | 105.8 | 28% | 0.277 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -83 | 144.6 | 174.4 | -69.4 | 81 | 0 | 0 | 0 | 110.3 | P15 Q21 V23 Y135 | P15-L17 WeakPolarHBondContact O-CD1 3.14Å; P15-L17 PolarHBondContact O-N 3.09Å; L17-Q21 HydrophobicContact CB-CB 4.45Å; L17-Q21 HydrophobicContact CD2-CB 4.3Å; L17-V23 HydrophobicContact CD2-CG2 3.69Å; L17-Y135 HydrophobicContact CD1-CD1 3.48Å; L17-Y135 VanDerWaalsContact CD1-CD1 3.48Å; L17-Y135 HydrophobicContact CD1-CE1 4.04Å; L17-Y135 HydrophobicContact CD2-CD1 3.96Å; L17-Y135 HydrophobicContact CG-CD1 3.97Å; L17-Y135 HydrophobicContact CG-CE1 4.27Å |
| 18 | S | 88.5 | Confident | 90.8 | Very high | 48 Ų | 48 | 97 Ų | 97 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.3 | 166.5 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | E20 Q21 | S18-E20 PolarHBondContact O-N 3.24Å; S18-Q21 PolarHBondContact O-N 3.42Å; S18-Q21 WeakPolarHBondContact OG-CB 2.96Å; S18-Q21 VanDerWaalsContact OG-CD 3.23Å; S18-Q21 WeakPolarHBondContact OG-CG 3.13Å; S18-Q21 PolarHBondContact OG-OE1 2.87Å |
| 19 | P | 83.8 | Confident | 90.9 | Very high | 121 Ų | 121 | 91.7 Ų | 91.7 | 79% | 0.786 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17 | -177.8 | 25.3 | -35 | 0 | 0 | 0 | 113.8 | ||
| 20 | E | 83.7 | Confident | 90.9 | Very high | 183 Ų | 183 | 86.8 Ų | 86.8 | 86% | 0.855 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -25.2 | 175.9 | -60.5 | -175.5 | 172.2 | 0 | 0 | 112.6 | S18 | S18-E20 PolarHBondContact O-N 3.24Š|
| 21 | Q | 88.1 | Confident | 90.7 | Very high | 124 Ų | 124 | 90 Ų | 90 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | trans | -90.4 | 120.6 | 178.5 | -72.5 | 172.8 | -30.7 | 0 | 0 | 110 | L17 S18 | L17-Q21 HydrophobicContact CB-CB 4.45Å; L17-Q21 HydrophobicContact CD2-CB 4.3Å; S18-Q21 PolarHBondContact O-N 3.42Å; S18-Q21 WeakPolarHBondContact OG-CB 2.96Å; S18-Q21 VanDerWaalsContact OG-CD 3.23Å; S18-Q21 WeakPolarHBondContact OG-CG 3.13Å; S18-Q21 PolarHBondContact OG-OE1 2.87Å | ||
| 22 | K | 89.8 | Confident | 90.3 | Very high | 144 Ų | 144 | 86.6 Ų | 86.6 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | trans | -127.8 | 130.8 | 176.5 | -63.6 | -178 | -177.5 | -179.3 | 0 | 109.2 | ||||
| 23 | V | 92.3 | Very high | 89.8 | Confident | 35 Ų | 35 | 85.4 Ų | 85.4 | 21% | 0.212 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.5 | 173.6 | -169.5 | 0 | 0 | 0 | 0 | 108.2 | L17 I123 Y135 S138 | L17-V23 HydrophobicContact CD2-CG2 3.69Å; V23-I123 HydrophobicContact CG1-CD1 3.47Å; V23-I123 VanDerWaalsContact CG1-CD1 3.47Å; V23-Y135 HydrophobicContact CG2-CD1 4.43Å; V23-Y135 HydrophobicContact CG2-CG 4.33Å; V23-S138 PolarHBondContact O-N 2.65Å |
| 24 | T | 92.7 | Very high | 89.5 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 26% | 0.264 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.3 | -179.5 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | E139 Y141 | T24-E139 VanDerWaalsContact CA-O 3.31Å; T24-E139 WeakPolarHBondContact CA-O 3.12Å; T24-E139 HydrophobicContact CG2-CB 4.13Å; T24-Y141 HydrophobicContact CG2-CE2 4.28Å |
| 25 | I | 93.6 | Very high | 89.1 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.8 | 177.6 | -61.1 | 176.9 | 0 | 0 | 0 | 108.8 | I123 V137 E139 W140 Y141 | I25-I123 HydrophobicContact CD1-CD1 4.42Å; I25-I123 HydrophobicContact CG1-CD1 4.03Å; I25-V137 HydrophobicContact CD1-CB 4.42Å; I25-V137 HydrophobicContact CD1-CG1 3.76Å; I25-V137 HydrophobicContact CD1-CG2 3.82Å; I25-V137 HydrophobicContact CG1-CG1 3.75Å; I25-V137 HydrophobicContact CG1-CG2 4.15Å; I25-E139 PolarHBondContact N-O 2.99Å; I25-W140 HydrophobicContact CB-CG 4.14Å; I25-W140 HydrophobicContact CG2-CG 4.36Å; I25-W140 VanDerWaalsContact O-CD1 3.29Å; I25-Y141 PolarHBondContact O-N 3.24Å |
| 26 | F | 93.9 | Very high | 88.9 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 33% | 0.329 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 109.6 | 170.4 | -60.8 | -24.8 | 0 | 0 | 0 | 109.2 | F28 L44 Y141 F143 | F26-F28 HydrophobicContact CB-CE2 4.38Å; F26-L44 HydrophobicContact CE2-CD2 3.71Å; F26-L44 HydrophobicContact CZ-CD2 3.69Å; F26-Y141 HydrophobicContact CD1-CD2 4.12Å; F26-Y141 HydrophobicContact CD1-CG 4.46Å; F26-Y141 AromaticContact CE1-CD2 3.85Å; F26-Y141 HydrophobicContact CE1-CD2 3.85Å; F26-Y141 HydrophobicContact CE1-CG 4.41Å; F26-F143 HydrophobicContact CB-CD2 3.96Å; F26-F143 HydrophobicContact CB-CE2 3.58Å; F26-F143 AromaticContact CD1-CE2 3.52Å; F26-F143 HydrophobicContact CD1-CE2 3.52Å; F26-F143 HydrophobicContact CD1-CZ 4.16Å; F26-F143 HydrophobicContact CD2-CE2 4.34Å; F26-F143 HydrophobicContact CE1-CE2 4.26Å; F26-F143 HydrophobicContact CG-CD2 4.42Å; F26-F143 AromaticContact CG-CE2 3.56Å; F26-F143 HydrophobicContact CG-CE2 3.56Å; F26-F143 HydrophobicContact CG-CZ 4.21Å |
| 27 | K | 93.5 | Very high | 88.8 | Confident | 79 Ų | 79 | 81.8 Ų | 81.8 | 34% | 0.343 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133 | -179.7 | 168.8 | -171.5 | -163.4 | 173.1 | 0 | 110.7 | W140 Y141 F143 | K27-W140 HydrophobicContact CB-CZ2 4.22Å; K27-W140 HydrophobicContact CD-CZ2 3.65Å; K27-W140 HydrophobicContact CG-CZ2 4.33Å; K27-Y141 PolarHBondContact N-O 3.06Å; K27-F143 WeakPolarHBondContact O-CB 3.48Å; K27-F143 PolarHBondContact O-N 3.44Å |
| 28 | F | 93.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 24% | 0.237 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.3 | 171 | -60.5 | -84.2 | 0 | 0 | 0 | 108.8 | F26 V34 W39 L97 Y107 F143 | F26-F28 HydrophobicContact CB-CE2 4.38Å; F28-V34 HydrophobicContact CB-CB 4.38Å; F28-V34 HydrophobicContact CB-CG2 4.28Å; F28-V34 HydrophobicContact CD1-CG1 4.43Å; F28-V34 HydrophobicContact CD1-CG2 4.09Å; F28-V34 HydrophobicContact CG-CB 4.42Å; F28-V34 HydrophobicContact CG-CG1 4.32Å; F28-V34 HydrophobicContact CG-CG2 4.31Å; F28-W39 AromaticContact CE1-CH2 3.91Å; F28-W39 HydrophobicContact CE1-CH2 3.91Å; F28-W39 HydrophobicContact CE2-CH2 4.32Å; F28-W39 AromaticContact CZ-CH2 3.68Å; F28-W39 HydrophobicContact CZ-CH2 3.68Å; F28-W39 HydrophobicContact CZ-CZ3 4.21Å; F28-L97 HydrophobicContact CE1-CD2 3.82Å; F28-L97 HydrophobicContact CZ-CD2 3.71Å; F28-Y107 HydrophobicContact CE1-CG 4.41Å; F28-F143 HydrophobicContact CD1-CB 3.67Å; F28-F143 HydrophobicContact CD1-CG 4.35Å; F28-F143 HydrophobicContact CE1-CB 3.62Å; F28-F143 HydrophobicContact CE1-CD1 4.28Å; F28-F143 HydrophobicContact CE1-CD2 4.34Å; F28-F143 AromaticContact CE1-CG 3.82Å; F28-F143 HydrophobicContact CE1-CG 3.82Å; F28-F143 HydrophobicContact CZ-CB 4.41Å; F28-F143 HydrophobicContact CZ-CD2 4.35Å; F28-F143 HydrophobicContact CZ-CG 4.24Å |
| 29 | G | 90.6 | Very high | 88.9 | Confident | 23 Ų | 23 | 85.6 Ų | 85.6 | 24% | 0.237 | 47% | 0.469 | C | S | . | . | trans | -64.8 | 139.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N31 L32 | G29-N31 PolarHBondContact O-N 2.76Å; G29-L32 WeakPolarHBondContact O-CB 3.39Å; G29-L32 VanDerWaalsContact O-CD1 3.31Å; G29-L32 WeakPolarHBondContact O-CD1 3.35Å; G29-L32 PolarHBondContact O-N 3.11Å | ||
| 30 | G | 89.8 | Confident | 89 | Confident | 79 Ų | 79 | 86 Ų | 86 | 81% | 0.814 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -60.5 | -26.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L32 G33 | G30-L32 PolarHBondContact O-N 2.97Å; G30-G33 PolarHBondContact O-N 3.09Å |
| 31 | N | 89.3 | Confident | 89.3 | Confident | 148 Ų | 148 | 83.6 Ų | 83.6 | 79% | 0.791 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -66 | -15.9 | 175 | 62.6 | -22.4 | 0 | 0 | 0 | 114.2 | G29 | G29-N31 PolarHBondContact O-N 2.76Š|
| 32 | L | 86 | Confident | 89.5 | Confident | 39 Ų | 39 | 81 Ų | 81 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -81.2 | -16.2 | 177.5 | -69.4 | 106.2 | 0 | 0 | 0 | 113.2 | G29 G30 V34 Y107 A145 | G29-L32 WeakPolarHBondContact O-CB 3.39Å; G29-L32 VanDerWaalsContact O-CD1 3.31Å; G29-L32 WeakPolarHBondContact O-CD1 3.35Å; G29-L32 PolarHBondContact O-N 3.11Å; G30-L32 PolarHBondContact O-N 2.97Å; L32-V34 VanDerWaalsContact C-N 3.3Å; L32-V34 HydrophobicContact CB-CG2 3.67Å; L32-V34 PolarHBondContact O-N 2.86Å; L32-Y107 HydrophobicContact CD2-CD1 3.7Å; L32-Y107 HydrophobicContact CD2-CE1 3.46Å; L32-Y107 VanDerWaalsContact CD2-CE1 3.46Å; L32-A145 HydrophobicContact CD2-CB 3.58Å |
| 33 | G | 83.8 | Confident | 89.6 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | trans | 55.9 | 43.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | G30 D35 | G30-G33 PolarHBondContact O-N 3.09Å; G33-D35 PolarHBondContact O-N 2.83Å | ||
| 34 | V | 87.1 | Confident | 89.7 | Confident | 29 Ų | 29 | 78 Ų | 78 | 18% | 0.176 | 44% | 0.437 | C | S | . | . | trans | -79.5 | 108.6 | -175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | F28 L32 V36 W39 Y107 | F28-V34 HydrophobicContact CB-CB 4.38Å; F28-V34 HydrophobicContact CB-CG2 4.28Å; F28-V34 HydrophobicContact CD1-CG1 4.43Å; F28-V34 HydrophobicContact CD1-CG2 4.09Å; F28-V34 HydrophobicContact CG-CB 4.42Å; F28-V34 HydrophobicContact CG-CG1 4.32Å; F28-V34 HydrophobicContact CG-CG2 4.31Å; L32-V34 VanDerWaalsContact C-N 3.3Å; L32-V34 HydrophobicContact CB-CG2 3.67Å; L32-V34 PolarHBondContact O-N 2.86Å; V34-V36 HydrophobicContact CG1-CG2 4.21Å; V34-W39 HydrophobicContact CB-CZ2 4.46Å; V34-W39 HydrophobicContact CG1-CH2 3.62Å; V34-W39 HydrophobicContact CG1-CZ2 3.21Å; V34-Y107 HydrophobicContact CG2-CE1 4.17Å | ||
| 35 | D | 86.5 | Confident | 89.7 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | trans | -96.3 | 100.2 | 170 | -65 | -32.1 | 0 | 0 | 0 | 110 | G33 I37 K38 | G33-D35 PolarHBondContact O-N 2.83Å; D35-I37 PolarHBondContact O-N 3.21Å; D35-K38 HydrophobicContact CB-CB 4.46Å; D35-K38 HydrophobicContact CB-CD 3.83Å; D35-K38 HydrophobicContact CB-CG 3.95Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 VanDerWaalsContact O-N 3.09Å; D35-K38 VanDerWaalsContact OD2-CE 3.24Å; D35-K38 WeakPolarHBondContact OD2-CE 3.35Å; D35-K38 IonicContact OD2-NZ 2.65Å; D35-K38 PolarHBondContact OD2-NZ 2.91Å | ||
| 36 | V | 85.5 | Confident | 89.6 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 56% | 0.558 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -61 | -28.8 | -178.1 | -174.2 | 0 | 0 | 0 | 0 | 112 | V34 K38 W39 | V34-V36 HydrophobicContact CG1-CG2 4.21Å; V36-K38 PolarHBondContact O-N 2.81Å; V36-W39 HydrophobicContact CG1-CE3 4.25Å; V36-W39 PolarHBondContact O-N 3.32Å |
| 37 | I | 88.1 | Confident | 89.3 | Confident | 170 Ų | 170 | 78.7 Ų | 78.7 | 87% | 0.872 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -63.4 | -26.3 | 178.7 | -58.1 | 172.2 | 0 | 0 | 0 | 111.9 | D35 W39 | D35-I37 PolarHBondContact O-N 3.21Å; I37-W39 VanDerWaalsContact C-N 3.31Å; I37-W39 PolarHBondContact O-N 2.83Å |
| 38 | K | 86.6 | Confident | 88.8 | Confident | 133 Ų | 133 | 80.1 Ų | 80.1 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -82.2 | -6.4 | -177.8 | -63.9 | -179.5 | -177.8 | 160.3 | 0 | 113.4 | D35 V36 | D35-K38 HydrophobicContact CB-CB 4.46Å; D35-K38 HydrophobicContact CB-CD 3.83Å; D35-K38 HydrophobicContact CB-CG 3.95Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 VanDerWaalsContact O-N 3.09Å; D35-K38 VanDerWaalsContact OD2-CE 3.24Å; D35-K38 WeakPolarHBondContact OD2-CE 3.35Å; D35-K38 IonicContact OD2-NZ 2.65Å; D35-K38 PolarHBondContact OD2-NZ 2.91Å; V36-K38 PolarHBondContact O-N 2.81Å |
| 39 | W | 87.7 | Confident | 88.1 | Confident | 49 Ų | 49 | 79.1 Ų | 79.1 | 19% | 0.186 | 45% | 0.446 | C | S | . | . | trans | -87.6 | 118.3 | -173.8 | -65.1 | -2.4 | 0 | 0 | 0 | 111.5 | F28 V34 V36 I37 V42 L97 V99 Y107 | F28-W39 AromaticContact CE1-CH2 3.91Å; F28-W39 HydrophobicContact CE1-CH2 3.91Å; F28-W39 HydrophobicContact CE2-CH2 4.32Å; F28-W39 AromaticContact CZ-CH2 3.68Å; F28-W39 HydrophobicContact CZ-CH2 3.68Å; F28-W39 HydrophobicContact CZ-CZ3 4.21Å; V34-W39 HydrophobicContact CB-CZ2 4.46Å; V34-W39 HydrophobicContact CG1-CH2 3.62Å; V34-W39 HydrophobicContact CG1-CZ2 3.21Å; V36-W39 HydrophobicContact CG1-CE3 4.25Å; V36-W39 PolarHBondContact O-N 3.32Å; I37-W39 VanDerWaalsContact C-N 3.31Å; I37-W39 PolarHBondContact O-N 2.83Å; W39-V42 HydrophobicContact CB-CG2 3.78Å; W39-V42 HydrophobicContact CD2-CG2 4.3Å; W39-V42 HydrophobicContact CE3-CG2 3.95Å; W39-V42 HydrophobicContact CG-CG2 4.3Å; W39-L97 HydrophobicContact CH2-CD2 3.77Å; W39-L97 HydrophobicContact CZ3-CD2 3.93Å; W39-V99 HydrophobicContact CB-CG1 4.23Å; W39-V99 HydrophobicContact CD2-CG1 3.99Å; W39-V99 HydrophobicContact CD2-CG2 3.9Å; W39-V99 HydrophobicContact CE3-CG2 4.13Å; W39-V99 HydrophobicContact CG-CG1 3.67Å; W39-V99 HydrophobicContact CG-CG2 4.46Å; W39-V99 HydrophobicContact CH2-CG2 4.09Å; W39-V99 HydrophobicContact CZ2-CG2 3.84Å; W39-V99 HydrophobicContact CZ3-CG2 4.24Å; W39-Y107 HydrophobicContact CH2-CE2 4.44Å; W39-Y107 AromaticContact CZ2-CE2 3.97Å; W39-Y107 HydrophobicContact CZ2-CE2 3.97Å | ||
| 40 | N | 86.9 | Confident | 87.5 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -94.7 | -45.8 | 177.9 | -66 | -30 | 0 | 0 | 0 | 112.8 | ||
| 41 | H | 88.4 | Confident | 86.7 | Confident | 132 Ų | 132 | 81.4 Ų | 81.4 | 61% | 0.611 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117.5 | -176.6 | -64.1 | -66 | 0 | 0 | 0 | 110.2 | N100 | H41-N100 HydrophobicContact CB-CB 4.04Å; H41-N100 PolarHBondContact O-N 3.19Å |
| 42 | V | 92.4 | Very high | 85.9 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.8 | -174.4 | -178.7 | 0 | 0 | 0 | 0 | 109 | W39 L97 T98 V99 | W39-V42 HydrophobicContact CB-CG2 3.78Å; W39-V42 HydrophobicContact CD2-CG2 4.3Å; W39-V42 HydrophobicContact CE3-CG2 3.95Å; W39-V42 HydrophobicContact CG-CG2 4.3Å; V42-L97 HydrophobicContact CG1-CD1 3.22Å; V42-L97 HydrophobicContact CG1-CG 4.2Å; V42-T98 WeakPolarHBondContact CA-O 3.46Å; V42-V99 HydrophobicContact CG1-CG2 4.47Å; V42-V99 HydrophobicContact CG2-CG1 4.43Å; V42-V99 HydrophobicContact CG2-CG2 4.32Å |
| 43 | T | 93.8 | Very high | 85.1 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.7 | 170.9 | 66.9 | 0 | 0 | 0 | 0 | 109.6 | L97 T98 | T43-L97 WeakPolarHBondContact O-CA 3.44Å; T43-T98 PolarHBondContact N-O 3.37Å; T43-T98 PolarHBondContact O-N 3.33Å; T43-T98 WeakPolarHBondContact OG1-CB 3.48Å |
| 44 | L | 93.6 | Very high | 84.2 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 32% | 0.319 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 105 | 179.8 | -179.6 | 71.6 | 0 | 0 | 0 | 108.3 | F26 W95 L97 F143 | F26-L44 HydrophobicContact CE2-CD2 3.71Å; F26-L44 HydrophobicContact CZ-CD2 3.69Å; L44-W95 HydrophobicContact CD1-CB 3.97Å; L44-W95 HydrophobicContact CD1-CD2 4.18Å; L44-W95 HydrophobicContact CD1-CE3 3.9Å; L44-W95 HydrophobicContact CD1-CG 4.25Å; L44-W95 HydrophobicContact CD2-CD2 4.43Å; L44-W95 HydrophobicContact CD2-CE3 4.1Å; L44-W95 HydrophobicContact CD2-CZ3 4.19Å; L44-W95 HydrophobicContact CG-CD2 4.25Å; L44-W95 HydrophobicContact CG-CE3 3.63Å; L44-W95 HydrophobicContact CG-CZ3 3.95Å; L44-L97 HydrophobicContact CB-CD1 4.37Å; L44-L97 HydrophobicContact CD1-CB 4.16Å; L44-L97 HydrophobicContact CD1-CD1 4.05Å; L44-F143 HydrophobicContact CD1-CZ 4.22Å |
| 45 | D | 92.3 | Very high | 82.9 | Confident | 94 Ų | 94 | 86.2 Ų | 86.2 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.6 | -177.8 | -65.1 | -56.8 | 0 | 0 | 0 | 110.2 | L96 | D45-L96 PolarHBondContact N-O 2.86Å; D45-L96 PolarHBondContact O-N 3.37Å |
| 46 | R | 92.3 | Very high | 81.5 | Confident | 43 Ų | 43 | 88.1 Ų | 88.1 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 135.9 | 167.5 | -70.4 | -71.2 | -178.3 | 147.5 | 4.9 | 108.5 | D48 R90 S91 Q93 W95 Y141 | R46-D48 PolarHBondContact O-N 3.27Å; R46-R90 HydrophobicContact CB-CG 4.33Å; R46-R90 WeakPolarHBondContact CD-O 3.39Å; R46-S91 VanDerWaalsContact CZ-O 3.25Å; R46-S91 VanDerWaalsContact NH1-C 3.32Å; R46-S91 PolarHBondContact NH1-O 3.24Å; R46-S91 PolarHBondContact NH2-O 3.3Å; R46-Q93 WeakPolarHBondContact CD-O 3.42Å; R46-Q93 PolarHBondContact NH1-O 3.23Å; R46-W95 HydrophobicContact CG-CE3 4.04Å; R46-W95 HydrophobicContact CG-CH2 4.24Å; R46-W95 HydrophobicContact CG-CZ3 3.86Å; R46-W95 VanDerWaalsContact CZ-CZ2 3.48Å; R46-W95 VanDerWaalsContact NH2-CZ2 3.27Å; R46-Y141 PolarHBondContact NH2-OH 3.21Å |
| 47 | E | 87.2 | Confident | 80.3 | Confident | 41 Ų | 41 | 90.4 Ų | 90.4 | 19% | 0.192 | 47% | 0.466 | C | S | . | . | trans | -63.1 | 120.3 | 175.5 | -164.6 | -179.2 | -153.8 | 0 | 0 | 109.2 | N49 Q93 P94 R108 | E47-N49 WeakPolarHBondContact CG-OD1 3.48Å; E47-N49 PolarHBondContact O-N 3.19Å; E47-N49 VanDerWaalsContact O-N 3.1Å; E47-N49 PolarHBondContact OE2-ND2 3.12Å; E47-Q93 WeakPolarHBondContact O-CB 3.31Å; E47-P94 WeakPolarHBondContact CB-O 3.24Å; E47-P94 PolarHBondContact N-O 2.87Å; E47-R108 IonicContact OE1-CZ 2.87Å; E47-R108 IonicContact OE1-NE 3.31Å; E47-R108 PolarHBondContact OE1-NE 3.02Å; E47-R108 IonicContact OE1-NH2 3.25Å; E47-R108 IonicContact OE2-CZ 3.78Å; E47-R108 VanDerWaalsContact OE2-CZ 3.25Å; E47-R108 IonicContact OE2-NE 2.77Å; E47-R108 PolarHBondContact OE2-NE 2.86Å; E47-R108 IonicContact OE2-NH2 3.1Å; E47-R108 PolarHBondContact OE2-NH2 2.8Å | ||
| 48 | D | 82.6 | Confident | 78.9 | Confident | 108 Ų | 108 | 87.7 Ų | 87.7 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | trans | -84.9 | 85.8 | 179.9 | -161.4 | 2.4 | 0 | 0 | 0 | 110.6 | R46 A50 Y88 | R46-D48 PolarHBondContact O-N 3.27Å; D48-A50 VanDerWaalsContact C-N 3.33Å; D48-A50 WeakPolarHBondContact OD1-CB 3.47Å; D48-A50 PolarHBondContact OD1-N 3.04Å; D48-Y88 PolarHBondContact OD1-OH 2.89Å | ||
| 49 | N | 80 | Confident | 77.9 | Confident | 33 Ų | 33 | 86.5 Ų | 86.5 | 18% | 0.176 | 46% | 0.455 | C | S | . | . | trans | -95.1 | 17.3 | 176.8 | -63 | -33.8 | 0 | 0 | 0 | 112.3 | E47 D51 V52 Y53 | E47-N49 WeakPolarHBondContact CG-OD1 3.48Å; E47-N49 PolarHBondContact O-N 3.19Å; E47-N49 VanDerWaalsContact O-N 3.1Å; E47-N49 PolarHBondContact OE2-ND2 3.12Å; N49-D51 PolarHBondContact O-N 2.92Å; N49-V52 WeakPolarHBondContact O-CB 3.5Å; N49-V52 PolarHBondContact O-N 2.76Å; N49-Y53 HydrophobicContact CB-CE2 4.36Å; N49-Y53 WeakPolarHBondContact O-CD2 3.32Å; N49-Y53 PolarHBondContact O-N 3.14Å | ||
| 50 | A | 77.4 | Confident | 76.8 | Confident | 28 Ų | 28 | 87.6 Ų | 87.6 | 23% | 0.231 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -53.7 | -41.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D48 V52 Y53 A54 Y88 | D48-A50 VanDerWaalsContact C-N 3.33Å; D48-A50 WeakPolarHBondContact OD1-CB 3.47Å; D48-A50 PolarHBondContact OD1-N 3.04Å; A50-V52 VanDerWaalsContact C-N 3.29Å; A50-V52 PolarHBondContact O-N 3.29Å; A50-Y53 PolarHBondContact O-N 2.8Å; A50-Y53 VanDerWaalsContact O-N 3.12Å; A50-A54 WeakPolarHBondContact O-CB 3.46Å; A50-A54 PolarHBondContact O-N 3.13Å; A50-Y88 HydrophobicContact CB-CD1 4.32Å; A50-Y88 HydrophobicContact CB-CD2 4.31Å; A50-Y88 HydrophobicContact CB-CE1 3.95Å; A50-Y88 HydrophobicContact CB-CE2 3.91Å; A50-Y88 HydrophobicContact CB-CG 4.48Å; A50-Y88 VanDerWaalsContact N-CE2 3.32Å |
| 51 | D | 73.6 | Confident | 75.6 | Confident | 122 Ų | 122 | 87 Ų | 87 | 65% | 0.652 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -36.1 | 179.7 | -65.3 | -21.7 | 0 | 0 | 0 | 112.3 | N49 Y53 A54 E55 | N49-D51 PolarHBondContact O-N 2.92Å; D51-Y53 VanDerWaalsContact C-N 3.28Å; D51-Y53 PolarHBondContact O-N 3.21Å; D51-A54 CarbonylContact O-C 3.58Å; D51-A54 PolarHBondContact O-N 3.02Å; D51-A54 VanDerWaalsContact O-N 3.16Å; D51-E55 WeakPolarHBondContact O-CB 3.49Å; D51-E55 WeakPolarHBondContact O-CG 3.45Å; D51-E55 PolarHBondContact O-N 3.03Å |
| 52 | V | 71.3 | Confident | 74 | Confident | 100 Ų | 100 | 89.1 Ų | 89.1 | 61% | 0.606 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.2 | -32.6 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | N49 A50 | N49-V52 WeakPolarHBondContact O-CB 3.5Å; N49-V52 PolarHBondContact O-N 2.76Å; A50-V52 VanDerWaalsContact C-N 3.29Å; A50-V52 PolarHBondContact O-N 3.29Å |
| 53 | Y | 69.7 | Low | 72.9 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 35% | 0.353 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78.6 | -31.5 | 173.7 | -72.4 | -95.9 | 0 | 0 | 0 | 111.9 | N49 A50 D51 Q86 Y88 | N49-Y53 HydrophobicContact CB-CE2 4.36Å; N49-Y53 WeakPolarHBondContact O-CD2 3.32Å; N49-Y53 PolarHBondContact O-N 3.14Å; A50-Y53 PolarHBondContact O-N 2.8Å; A50-Y53 VanDerWaalsContact O-N 3.12Å; D51-Y53 VanDerWaalsContact C-N 3.28Å; D51-Y53 PolarHBondContact O-N 3.21Å; Y53-Q86 WeakPolarHBondContact CD1-O 3.36Å; Y53-Q86 HydrophobicContact CE1-CB 4.16Å; Y53-Y88 AromaticContact CD2-CD2 3.61Å; Y53-Y88 HydrophobicContact CD2-CD2 3.61Å; Y53-Y88 HydrophobicContact CD2-CG 4.39Å; Y53-Y88 AromaticContact CE2-CD2 3.96Å; Y53-Y88 HydrophobicContact CE2-CD2 3.96Å; Y53-Y88 HydrophobicContact CG-CD2 4.19Å |
| 54 | A | 66 | Low | 71.7 | Confident | 45 Ų | 45 | 88.9 Ų | 88.9 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.2 | -29.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A50 D51 E56 D57 V58 | A50-A54 WeakPolarHBondContact O-CB 3.46Å; A50-A54 PolarHBondContact O-N 3.13Å; D51-A54 CarbonylContact O-C 3.58Å; D51-A54 PolarHBondContact O-N 3.02Å; D51-A54 VanDerWaalsContact O-N 3.16Å; A54-E56 PolarHBondContact O-N 3.21Å; A54-D57 WeakPolarHBondContact O-CA 3.3Å; A54-D57 WeakPolarHBondContact O-CB 3.49Å; A54-D57 PolarHBondContact O-N 3.24Å; A54-V58 PolarHBondContact O-N 2.96Å |
| 55 | E | 58.5 | Low | 70.6 | Confident | 133 Ų | 133 | 88.8 Ų | 88.8 | 62% | 0.621 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -26.3 | 178.1 | -86.2 | -177 | -175.5 | 0 | 0 | 112.5 | D51 D57 V58 | D51-E55 WeakPolarHBondContact O-CB 3.49Å; D51-E55 WeakPolarHBondContact O-CG 3.45Å; D51-E55 PolarHBondContact O-N 3.03Å; E55-D57 PolarHBondContact O-N 2.87Å; E55-V58 PolarHBondContact O-N 3.27Å; E55-V58 VanDerWaalsContact O-N 3.11Å |
| 56 | E | 58.1 | Low | 69.4 | Low | 121 Ų | 121 | 90.2 Ų | 90.2 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -23.2 | 171.6 | -152.2 | 175.6 | -166.7 | 0 | 0 | 111.7 | A54 K78 | A54-E56 PolarHBondContact O-N 3.21Å; E56-K78 IonicContact OE1-NZ 2.66Å; E56-K78 PolarHBondContact OE1-NZ 2.81Å; E56-K78 IonicContact OE2-NZ 2.8Å; E56-K78 PolarHBondContact OE2-NZ 3.49Å |
| 57 | D | 59.3 | Low | 68.1 | Low | 140 Ų | 140 | 91.6 Ų | 91.6 | 75% | 0.749 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -97.3 | -9.1 | 176.9 | -65.2 | -31.5 | 0 | 0 | 0 | 114.1 | A54 E55 M59 | A54-D57 WeakPolarHBondContact O-CA 3.3Å; A54-D57 WeakPolarHBondContact O-CB 3.49Å; A54-D57 PolarHBondContact O-N 3.24Å; E55-D57 PolarHBondContact O-N 2.87Å; D57-M59 VanDerWaalsContact C-N 3.26Å; D57-M59 PolarHBondContact O-N 3.06Å |
| 58 | V | 60 | Low | 66.4 | Low | 113 Ų | 113 | 99.1 Ų | 99.1 | 69% | 0.685 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.6 | -13.3 | -178.9 | 178 | 0 | 0 | 0 | 0 | 112.2 | A54 E55 | A54-V58 PolarHBondContact O-N 2.96Å; E55-V58 PolarHBondContact O-N 3.27Å; E55-V58 VanDerWaalsContact O-N 3.11Å |
| 59 | M | 64.3 | Low | 65.8 | Low | 109 Ų | 109 | 95.9 Ų | 95.9 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -66.6 | 129.2 | 170.4 | -81.1 | -163.3 | 162.3 | 0 | 0 | 110.9 | D57 K61 K70 | D57-M59 VanDerWaalsContact C-N 3.26Å; D57-M59 PolarHBondContact O-N 3.06Å; M59-K61 PolarHBondContact O-N 2.84Å; M59-K70 PolarHBondContact SD-NZ 2.86Å; M59-K70 VanDerWaalsContact SD-NZ 3.41Å |
| 60 | P | 64.8 | Low | 65.5 | Low | 71 Ų | 71 | 97.5 Ų | 97.5 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | trans | -57.2 | 118.8 | 177.7 | 21.5 | -31.3 | 0 | 0 | 0 | 110.3 | F62 E67 | P60-F62 VanDerWaalsContact C-N 3.25Å; P60-F62 PolarHBondContact O-N 3.38Å; P60-E67 WeakPolarHBondContact CG-OE1 3.39Å | ||
| 61 | K | 61.5 | Low | 65 | Low | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -69.2 | -23.9 | -175.3 | -172.4 | 167.9 | -178.3 | 171.8 | 0 | 113.1 | M59 H71 | M59-K61 PolarHBondContact O-N 2.84Å; K61-H71 HydrophobicContact CG-CB 4.37Å |
| 62 | F | 55.3 | Low | 65 | Low | 177 Ų | 177 | 97.1 Ų | 97.1 | 78% | 0.776 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -138.9 | 130.7 | -179.6 | -58.8 | -80.6 | 0 | 0 | 0 | 109.7 | P60 | P60-F62 VanDerWaalsContact C-N 3.25Å; P60-F62 PolarHBondContact O-N 3.38Å |
| 63 | G | 68.5 | Low | 65.2 | Low | 22 Ų | 22 | 102.1 Ų | 102.1 | 23% | 0.227 | 55% | 0.553 | C | S | . | * | trans | -161.4 | 159.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | E67 Y68 | G63-E67 CarbonylContact O-C 3.56Å; G63-Y68 VanDerWaalsContact O-CA 3.31Å; G63-Y68 WeakPolarHBondContact O-CA 3.31Å; G63-Y68 WeakPolarHBondContact O-CB 3.49Å; G63-Y68 PolarHBondContact O-N 2.91Å; G63-Y68 VanDerWaalsContact O-N 3.11Å | ||
| 64 | A | 68.6 | Low | 65.4 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 82% | 0.818 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -85.2 | 144.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 65 | G | 70.9 | Confident | 65.6 | Low | 59 Ų | 59 | 103.1 Ų | 103.1 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 87.7 | -137.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E67 Y68 | G65-E67 PolarHBondContact O-N 3.43Å; G65-Y68 VanDerWaalsContact O-CB 3.32Å; G65-Y68 WeakPolarHBondContact O-CB 3.44Å; G65-Y68 PolarHBondContact O-N 2.86Å |
| 66 | S | 67.4 | Low | 66.4 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 86% | 0.86 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -10.9 | -176.7 | -54.4 | 0 | 0 | 0 | 0 | 115 | ||
| 67 | E | 66.1 | Low | 67.3 | Low | 73 Ų | 73 | 101.6 Ų | 101.6 | 34% | 0.341 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -19.1 | 173.5 | -63.6 | -170.3 | 156.9 | 0 | 0 | 112.9 | P60 G63 G65 G69 K70 | P60-E67 WeakPolarHBondContact CG-OE1 3.39Å; G63-E67 CarbonylContact O-C 3.56Å; G65-E67 PolarHBondContact O-N 3.43Å; E67-G69 PolarHBondContact O-N 2.86Å; E67-K70 VanDerWaalsContact O-CB 3.29Å; E67-K70 WeakPolarHBondContact O-CB 3.45Å; E67-K70 PolarHBondContact O-N 2.77Å; E67-K70 VanDerWaalsContact O-N 3.09Å |
| 68 | Y | 51.3 | Low | 68.2 | Low | 199 Ų | 199 | 97.3 Ų | 97.3 | 78% | 0.78 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 119.2 | 179.5 | -174.3 | -105.3 | 0 | 0 | 0 | 110.2 | G63 G65 K70 | G63-Y68 VanDerWaalsContact O-CA 3.31Å; G63-Y68 WeakPolarHBondContact O-CA 3.31Å; G63-Y68 WeakPolarHBondContact O-CB 3.49Å; G63-Y68 PolarHBondContact O-N 2.91Å; G63-Y68 VanDerWaalsContact O-N 3.11Å; G65-Y68 VanDerWaalsContact O-CB 3.32Å; G65-Y68 WeakPolarHBondContact O-CB 3.44Å; G65-Y68 PolarHBondContact O-N 2.86Å; Y68-K70 PolarHBondContact O-N 3.44Å |
| 69 | G | 70.1 | Confident | 69.1 | Low | 39 Ų | 39 | 98.9 Ų | 98.9 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 4.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E67 H71 A72 R73 | E67-G69 PolarHBondContact O-N 2.86Å; G69-H71 VanDerWaalsContact C-N 3.31Å; G69-H71 PolarHBondContact O-N 2.8Å; G69-A72 PolarHBondContact O-N 3.38Å; G69-R73 WeakPolarHBondContact O-CB 3.37Å; G69-R73 PolarHBondContact O-N 3.4Å |
| 70 | K | 72 | Confident | 69.8 | Low | 67 Ų | 67 | 102.8 Ų | 102.8 | 29% | 0.291 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 175.7 | -176.7 | -179.7 | 174.3 | -172.6 | 0 | 111.1 | M59 E67 Y68 R73 L74 | M59-K70 PolarHBondContact SD-NZ 2.86Å; M59-K70 VanDerWaalsContact SD-NZ 3.41Å; E67-K70 VanDerWaalsContact O-CB 3.29Å; E67-K70 WeakPolarHBondContact O-CB 3.45Å; E67-K70 PolarHBondContact O-N 2.77Å; E67-K70 VanDerWaalsContact O-N 3.09Å; Y68-K70 PolarHBondContact O-N 3.44Å; K70-R73 PolarHBondContact O-N 3.02Å; K70-L74 HydrophobicContact CD-CD1 4.43Å; K70-L74 HydrophobicContact CG-CD1 3.77Å; K70-L74 HydrophobicContact CG-CG 4.17Å; K70-L74 VanDerWaalsContact O-CB 3.22Å; K70-L74 WeakPolarHBondContact O-CB 3.49Å; K70-L74 VanDerWaalsContact O-CG 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.36Å; K70-L74 PolarHBondContact O-N 3.39Å |
| 71 | H | 68.1 | Low | 70.5 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 37% | 0.37 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.8 | -175.1 | -76.7 | 0 | 0 | 0 | 111.8 | K61 G69 R73 L74 E75 | K61-H71 HydrophobicContact CG-CB 4.37Å; G69-H71 VanDerWaalsContact C-N 3.31Å; G69-H71 PolarHBondContact O-N 2.8Å; H71-R73 PolarHBondContact O-N 2.82Å; H71-L74 PolarHBondContact O-N 2.8Å; H71-E75 IonicContact CE1-OE2 3.29Å; H71-E75 PolarHBondContact CE1-OE2 2.88Å; H71-E75 VanDerWaalsContact CE1-OE2 3.29Å; H71-E75 IonicContact ND1-OE2 3.58Å; H71-E75 WeakPolarHBondContact O-CB 3.42Å; H71-E75 PolarHBondContact O-N 3.32Å |
| 72 | A | 73.4 | Confident | 71.1 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G69 A76 | G69-A72 PolarHBondContact O-N 3.38Å; A72-A76 WeakPolarHBondContact O-CB 3.05Å; A72-A76 PolarHBondContact O-N 2.96Å |
| 73 | R | 75.4 | Confident | 71.9 | Confident | 205 Ų | 205 | 100.4 Ų | 100.4 | 77% | 0.774 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.1 | -42.3 | 177.3 | -167.1 | 177.4 | -170.5 | 174.7 | 2.7 | 111.7 | G69 K70 H71 R77 | G69-R73 WeakPolarHBondContact O-CB 3.37Å; G69-R73 PolarHBondContact O-N 3.4Å; K70-R73 PolarHBondContact O-N 3.02Å; H71-R73 PolarHBondContact O-N 2.82Å; R73-R77 WeakPolarHBondContact O-CB 3.22Å; R73-R77 PolarHBondContact O-N 2.86Å |
| 74 | L | 73.2 | Confident | 71.9 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 40% | 0.403 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.9 | -40.4 | 176.3 | -72.9 | 178.8 | 0 | 0 | 0 | 111.4 | K70 H71 R77 K78 | K70-L74 HydrophobicContact CD-CD1 4.43Å; K70-L74 HydrophobicContact CG-CD1 3.77Å; K70-L74 HydrophobicContact CG-CG 4.17Å; K70-L74 VanDerWaalsContact O-CB 3.22Å; K70-L74 WeakPolarHBondContact O-CB 3.49Å; K70-L74 VanDerWaalsContact O-CG 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.36Å; K70-L74 PolarHBondContact O-N 3.39Å; H71-L74 PolarHBondContact O-N 2.8Å; L74-R77 CarbonylContact O-C 3.54Å; L74-R77 PolarHBondContact O-N 2.83Å; L74-K78 WeakPolarHBondContact O-CB 3.41Å; L74-K78 PolarHBondContact O-N 2.94Å |
| 75 | E | 71.4 | Confident | 72 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 37% | 0.369 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 176.3 | -165 | -168.7 | 151.9 | 0 | 0 | 111.5 | H71 R77 K78 K79 | H71-E75 IonicContact CE1-OE2 3.29Å; H71-E75 PolarHBondContact CE1-OE2 2.88Å; H71-E75 VanDerWaalsContact CE1-OE2 3.29Å; H71-E75 IonicContact ND1-OE2 3.58Å; H71-E75 WeakPolarHBondContact O-CB 3.42Å; H71-E75 PolarHBondContact O-N 3.32Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 2.81Å; E75-K78 PolarHBondContact O-N 2.83Å; E75-K79 WeakPolarHBondContact O-CB 3.41Å; E75-K79 WeakPolarHBondContact O-CG 3.41Å; E75-K79 PolarHBondContact O-N 3.46Å; E75-K79 VanDerWaalsContact OE1-CE 3.27Å; E75-K79 WeakPolarHBondContact OE1-CE 3.38Å; E75-K79 IonicContact OE1-NZ 2.7Å; E75-K79 PolarHBondContact OE1-NZ 2.89Å |
| 76 | A | 73.8 | Confident | 72.3 | Confident | 60 Ų | 60 | 111.3 Ų | 111.3 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A72 K80 | A72-A76 WeakPolarHBondContact O-CB 3.05Å; A72-A76 PolarHBondContact O-N 2.96Å; A76-K80 VanDerWaalsContact O-CB 3.29Å; A76-K80 WeakPolarHBondContact O-CB 3.21Å; A76-K80 PolarHBondContact O-N 3.3Å |
| 77 | R | 76.9 | Confident | 72.9 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 173.1 | -174.8 | 176.6 | -179.2 | -179 | 0.8 | 111.3 | R73 L74 E75 K80 L81 | R73-R77 WeakPolarHBondContact O-CB 3.22Å; R73-R77 PolarHBondContact O-N 2.86Å; L74-R77 CarbonylContact O-C 3.54Å; L74-R77 PolarHBondContact O-N 2.83Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 2.81Å; R77-K80 PolarHBondContact O-N 3.25Å; R77-L81 HydrophobicContact CG-CD1 3.43Å; R77-L81 VanDerWaalsContact CG-CD1 3.43Å; R77-L81 VanDerWaalsContact O-CD1 3.3Å; R77-L81 WeakPolarHBondContact O-CD1 3.45Å; R77-L81 PolarHBondContact O-N 2.95Å |
| 78 | K | 78.1 | Confident | 73.8 | Confident | 49 Ų | 49 | 112.1 Ų | 112.1 | 21% | 0.213 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177.5 | -163.4 | 173.5 | -177.8 | 160.4 | 0 | 110 | E56 L74 E75 L81 G82 Y83 | E56-K78 IonicContact OE1-NZ 2.66Å; E56-K78 PolarHBondContact OE1-NZ 2.81Å; E56-K78 IonicContact OE2-NZ 2.8Å; E56-K78 PolarHBondContact OE2-NZ 3.49Å; L74-K78 WeakPolarHBondContact O-CB 3.41Å; L74-K78 PolarHBondContact O-N 2.94Å; E75-K78 PolarHBondContact O-N 2.83Å; K78-L81 PolarHBondContact O-N 3.44Å; K78-G82 PolarHBondContact O-N 3.48Å; K78-G82 VanDerWaalsContact O-N 3.1Å; K78-Y83 VanDerWaalsContact CG-CB 3.48Å; K78-Y83 PolarHBondContact O-N 2.83Å |
| 79 | K | 78.9 | Confident | 75.4 | Confident | 147 Ų | 147 | 109.4 Ų | 109.4 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 173.2 | -71.2 | 176.4 | -174.4 | 166.7 | 0 | 112.6 | E75 G82 | E75-K79 WeakPolarHBondContact O-CB 3.41Å; E75-K79 WeakPolarHBondContact O-CG 3.41Å; E75-K79 PolarHBondContact O-N 3.46Å; E75-K79 VanDerWaalsContact OE1-CE 3.27Å; E75-K79 WeakPolarHBondContact OE1-CE 3.38Å; E75-K79 IonicContact OE1-NZ 2.7Å; E75-K79 PolarHBondContact OE1-NZ 2.89Å; K79-G82 PolarHBondContact O-N 3.03Å |
| 80 | K | 80.7 | Confident | 76.1 | Confident | 191 Ų | 191 | 115.3 Ų | 115.3 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.9 | -37.4 | 179.1 | -172.7 | 177.9 | 179 | -178.6 | 0 | 113.1 | A76 R77 G82 | A76-K80 VanDerWaalsContact O-CB 3.29Å; A76-K80 WeakPolarHBondContact O-CB 3.21Å; A76-K80 PolarHBondContact O-N 3.3Å; R77-K80 PolarHBondContact O-N 3.25Å; K80-G82 VanDerWaalsContact C-N 3.28Å |
| 81 | L | 78.5 | Confident | 76.8 | Confident | 99 Ų | 99 | 115.7 Ų | 115.7 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -1.1 | 174.9 | -83 | 109.1 | 0 | 0 | 0 | 113.4 | R77 K78 Y83 | R77-L81 HydrophobicContact CG-CD1 3.43Å; R77-L81 VanDerWaalsContact CG-CD1 3.43Å; R77-L81 VanDerWaalsContact O-CD1 3.3Å; R77-L81 WeakPolarHBondContact O-CD1 3.45Å; R77-L81 PolarHBondContact O-N 2.95Å; K78-L81 PolarHBondContact O-N 3.44Å; L81-Y83 VanDerWaalsContact C-N 3.29Å; L81-Y83 HydrophobicContact CB-CD2 3.52Å; L81-Y83 HydrophobicContact CB-CE2 3.55Å; L81-Y83 HydrophobicContact CD2-CE2 3.9Å; L81-Y83 HydrophobicContact CG-CE2 4.27Å; L81-Y83 PolarHBondContact O-N 2.79Å |
| 82 | G | 74 | Confident | 77.6 | Confident | 59 Ų | 59 | 115.8 Ų | 115.8 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K78 K79 K80 R84 | K78-G82 PolarHBondContact O-N 3.48Å; K78-G82 VanDerWaalsContact O-N 3.1Å; K79-G82 PolarHBondContact O-N 3.03Å; K80-G82 VanDerWaalsContact C-N 3.28Å; G82-R84 PolarHBondContact O-N 2.74Å |
| 83 | Y | 72 | Confident | 78.4 | Confident | 156 Ų | 156 | 113 Ų | 113 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 121.8 | 174.5 | -71.2 | -71.6 | 0 | 0 | 0 | 109.7 | K78 L81 | K78-Y83 VanDerWaalsContact CG-CB 3.48Å; K78-Y83 PolarHBondContact O-N 2.83Å; L81-Y83 VanDerWaalsContact C-N 3.29Å; L81-Y83 HydrophobicContact CB-CD2 3.52Å; L81-Y83 HydrophobicContact CB-CE2 3.55Å; L81-Y83 HydrophobicContact CD2-CE2 3.9Å; L81-Y83 HydrophobicContact CG-CE2 4.27Å; L81-Y83 PolarHBondContact O-N 2.79Å |
| 84 | R | 69.7 | Low | 79.2 | Confident | 208 Ų | 208 | 104.3 Ų | 104.3 | 79% | 0.785 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 128.5 | 166.1 | -66 | -177.8 | 177.3 | -179.5 | -0.6 | 107.3 | G82 Q86 | G82-R84 PolarHBondContact O-N 2.74Å; R84-Q86 PolarHBondContact O-N 2.8Å |
| 85 | S | 70.6 | Confident | 80.2 | Confident | 68 Ų | 68 | 103 Ų | 103 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 121.2 | 168.4 | 38.9 | 0 | 0 | 0 | 0 | 108 | ||
| 86 | Q | 76.3 | Confident | 81.3 | Confident | 134 Ų | 134 | 101.3 Ų | 101.3 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 130.8 | 170.5 | -65.7 | -64.6 | -9.9 | 0 | 0 | 107.6 | Y53 R84 | Y53-Q86 WeakPolarHBondContact CD1-O 3.36Å; Y53-Q86 HydrophobicContact CE1-CB 4.16Å; R84-Q86 PolarHBondContact O-N 2.8Å |
| 87 | Q | 80.8 | Confident | 82.2 | Confident | 142 Ų | 142 | 98.9 Ų | 98.9 | 66% | 0.664 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 137.9 | 175.3 | -66 | -65.3 | -35.5 | 0 | 0 | 109.1 | R89 | Q87-R89 PolarHBondContact O-N 3.37Å; Q87-R89 VanDerWaalsContact O-N 3.17Å |
| 88 | Y | 84 | Confident | 83 | Confident | 70 Ų | 70 | 92 Ų | 92 | 28% | 0.275 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -63 | 119.3 | 174.7 | 176.6 | -97.9 | 0 | 0 | 0 | 109.8 | D48 A50 Y53 Q93 | D48-Y88 PolarHBondContact OD1-OH 2.89Å; A50-Y88 HydrophobicContact CB-CD1 4.32Å; A50-Y88 HydrophobicContact CB-CD2 4.31Å; A50-Y88 HydrophobicContact CB-CE1 3.95Å; A50-Y88 HydrophobicContact CB-CE2 3.91Å; A50-Y88 HydrophobicContact CB-CG 4.48Å; A50-Y88 VanDerWaalsContact N-CE2 3.32Å; Y53-Y88 AromaticContact CD2-CD2 3.61Å; Y53-Y88 HydrophobicContact CD2-CD2 3.61Å; Y53-Y88 HydrophobicContact CD2-CG 4.39Å; Y53-Y88 AromaticContact CE2-CD2 3.96Å; Y53-Y88 HydrophobicContact CE2-CD2 3.96Å; Y53-Y88 HydrophobicContact CG-CD2 4.19Å; Y88-Q93 HydrophobicContact CD2-CG 4.25Å; Y88-Q93 HydrophobicContact CE2-CG 3.58Å |
| 89 | R | 85.8 | Confident | 83.7 | Confident | 143 Ų | 143 | 89.8 Ų | 89.8 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | trans | -125.1 | 118.7 | 173.1 | -73.5 | 178.7 | 170.2 | -172 | -1.2 | 109.1 | Q87 S91 E92 Q93 | Q87-R89 PolarHBondContact O-N 3.37Å; Q87-R89 VanDerWaalsContact O-N 3.17Å; R89-S91 PolarHBondContact O-N 2.74Å; R89-E92 HydrophobicContact CB-CB 4.13Å; R89-E92 HydrophobicContact CB-CG 4.12Å; R89-E92 VanDerWaalsContact CD-CD 3.49Å; R89-E92 WeakPolarHBondContact CD-OE1 3.04Å; R89-E92 IonicContact CZ-OE1 2.96Å; R89-E92 IonicContact NE-OE1 3.94Å; R89-E92 IonicContact NH1-OE1 3.1Å; R89-E92 PolarHBondContact NH1-OE1 2.88Å; R89-E92 PolarHBondContact O-N 2.82Å; R89-Q93 WeakPolarHBondContact O-CG 3.31Å; R89-Q93 PolarHBondContact O-N 3.32Å; R89-Q93 PolarHBondContact O-NE2 2.98Å; R89-Q93 VanDerWaalsContact O-NE2 3.09Å | ||
| 90 | R | 85.4 | Confident | 84 | Confident | 162 Ų | 162 | 86 Ų | 86 | 61% | 0.611 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34.1 | 179.5 | -166.9 | 177.9 | -178.4 | 116.4 | -1 | 112.7 | R46 E92 Q93 | R46-R90 HydrophobicContact CB-CG 4.33Å; R46-R90 WeakPolarHBondContact CD-O 3.39Å; R90-E92 VanDerWaalsContact C-N 3.29Å; R90-E92 PolarHBondContact O-N 3.05Å; R90-Q93 PolarHBondContact O-N 2.84Å |
| 91 | S | 85.7 | Confident | 84.1 | Confident | 76 Ų | 76 | 80.4 Ų | 80.4 | 53% | 0.531 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -17.4 | 178.1 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | R46 R89 | R46-S91 VanDerWaalsContact CZ-O 3.25Å; R46-S91 VanDerWaalsContact NH1-C 3.32Å; R46-S91 PolarHBondContact NH1-O 3.24Å; R46-S91 PolarHBondContact NH2-O 3.3Å; R89-S91 PolarHBondContact O-N 2.74Å |
| 92 | E | 85.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 84.8 Ų | 84.8 | 38% | 0.379 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -7.6 | 179.8 | -65.8 | 175.9 | -163.1 | 0 | 0 | 111.9 | R89 R90 | R89-E92 HydrophobicContact CB-CB 4.13Å; R89-E92 HydrophobicContact CB-CG 4.12Å; R89-E92 VanDerWaalsContact CD-CD 3.49Å; R89-E92 WeakPolarHBondContact CD-OE1 3.04Å; R89-E92 IonicContact CZ-OE1 2.96Å; R89-E92 IonicContact NE-OE1 3.94Å; R89-E92 IonicContact NH1-OE1 3.1Å; R89-E92 PolarHBondContact NH1-OE1 2.88Å; R89-E92 PolarHBondContact O-N 2.82Å; R90-E92 VanDerWaalsContact C-N 3.29Å; R90-E92 PolarHBondContact O-N 3.05Å |
| 93 | Q | 89.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 87.6 Ų | 87.6 | 3% | 0.028 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -67.6 | 146.7 | 176.3 | -62 | -46.3 | -62.7 | 0 | 0 | 111.3 | R46 E47 Y88 R89 R90 | R46-Q93 WeakPolarHBondContact CD-O 3.42Å; R46-Q93 PolarHBondContact NH1-O 3.23Å; E47-Q93 WeakPolarHBondContact O-CB 3.31Å; Y88-Q93 HydrophobicContact CD2-CG 4.25Å; Y88-Q93 HydrophobicContact CE2-CG 3.58Å; R89-Q93 WeakPolarHBondContact O-CG 3.31Å; R89-Q93 PolarHBondContact O-N 3.32Å; R89-Q93 PolarHBondContact O-NE2 2.98Å; R89-Q93 VanDerWaalsContact O-NE2 3.09Å; R90-Q93 PolarHBondContact O-N 2.84Å |
| 94 | P | 92.5 | Very high | 85.4 | Confident | 21 Ų | 21 | 83.7 Ų | 83.7 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -54 | 151.3 | 173.8 | -25 | 35.2 | 0 | 0 | 0 | 112.6 | E47 R108 G109 | E47-P94 WeakPolarHBondContact CB-O 3.24Å; E47-P94 PolarHBondContact N-O 2.87Å; P94-R108 HydrophobicContact CB-CG 4.18Å; P94-G109 CarbonylContact C-O 3.54Å; P94-G109 VanDerWaalsContact CA-O 3.31Å; P94-G109 WeakPolarHBondContact CA-O 3.22Å; P94-G109 WeakPolarHBondContact CB-O 3.42Å |
| 95 | W | 94.2 | Very high | 86.3 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 19% | 0.189 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 141.7 | 169.3 | -72.8 | 110.2 | 0 | 0 | 0 | 110.3 | L44 R46 R108 G109 Y141 F143 | L44-W95 HydrophobicContact CD1-CB 3.97Å; L44-W95 HydrophobicContact CD1-CD2 4.18Å; L44-W95 HydrophobicContact CD1-CE3 3.9Å; L44-W95 HydrophobicContact CD1-CG 4.25Å; L44-W95 HydrophobicContact CD2-CD2 4.43Å; L44-W95 HydrophobicContact CD2-CE3 4.1Å; L44-W95 HydrophobicContact CD2-CZ3 4.19Å; L44-W95 HydrophobicContact CG-CD2 4.25Å; L44-W95 HydrophobicContact CG-CE3 3.63Å; L44-W95 HydrophobicContact CG-CZ3 3.95Å; R46-W95 HydrophobicContact CG-CE3 4.04Å; R46-W95 HydrophobicContact CG-CH2 4.24Å; R46-W95 HydrophobicContact CG-CZ3 3.86Å; R46-W95 VanDerWaalsContact CZ-CZ2 3.48Å; R46-W95 VanDerWaalsContact NH2-CZ2 3.27Å; W95-R108 CarbonylContact O-C 3.58Å; W95-R108 WeakPolarHBondContact O-CA 3.04Å; W95-G109 PolarHBondContact N-O 2.89Å; W95-G109 PolarHBondContact O-N 3.35Å; W95-Y141 AromaticContact CD1-CD1 3.38Å; W95-Y141 AromaticContact CD1-CD2 3.85Å; W95-Y141 AromaticContact CD1-CE1 3.28Å; W95-Y141 AromaticContact CD1-CE2 3.81Å; W95-Y141 AromaticContact CD1-CG 3.64Å; W95-Y141 AromaticContact CD1-CZ 3.52Å; W95-Y141 HydrophobicContact CG-CE1 4.48Å; W95-Y141 AromaticContact NE1-CD1 3.99Å; W95-Y141 AromaticContact NE1-CD2 3.89Å; W95-Y141 AromaticContact NE1-CE1 3.49Å; W95-Y141 AromaticContact NE1-CE2 3.43Å; W95-Y141 AromaticContact NE1-CZ 3.2Å; W95-F143 HydrophobicContact CB-CE1 4.25Å; W95-F143 HydrophobicContact CB-CZ 3.95Å |
| 96 | L | 93.4 | Very high | 87.4 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 109.4 | 170.5 | -175.3 | 67.2 | 0 | 0 | 0 | 108.5 | D45 | D45-L96 PolarHBondContact N-O 2.86Å; D45-L96 PolarHBondContact O-N 3.37Å |
| 97 | L | 93.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118 | 176.1 | 179.2 | 74.6 | 0 | 0 | 0 | 108.8 | F28 W39 V42 T43 L44 V99 K106 Y107 F143 | F28-L97 HydrophobicContact CE1-CD2 3.82Å; F28-L97 HydrophobicContact CZ-CD2 3.71Å; W39-L97 HydrophobicContact CH2-CD2 3.77Å; W39-L97 HydrophobicContact CZ3-CD2 3.93Å; V42-L97 HydrophobicContact CG1-CD1 3.22Å; V42-L97 HydrophobicContact CG1-CG 4.2Å; T43-L97 WeakPolarHBondContact O-CA 3.44Å; L44-L97 HydrophobicContact CB-CD1 4.37Å; L44-L97 HydrophobicContact CD1-CB 4.16Å; L44-L97 HydrophobicContact CD1-CD1 4.05Å; L97-V99 HydrophobicContact CD2-CG2 4.38Å; L97-V99 HydrophobicContact CG-CG2 4.25Å; L97-K106 CarbonylContact O-C 3.58Å; L97-K106 WeakPolarHBondContact O-CA 3.25Å; L97-Y107 HydrophobicContact CD2-CD2 3.9Å; L97-Y107 HydrophobicContact CD2-CG 4.46Å; L97-Y107 HydrophobicContact CG-CD2 4.35Å; L97-Y107 PolarHBondContact N-O 3.42Å; L97-Y107 PolarHBondContact O-N 3.14Å; L97-F143 HydrophobicContact CB-CD1 4.06Å; L97-F143 HydrophobicContact CB-CE1 3.53Å; L97-F143 HydrophobicContact CB-CZ 4.43Å; L97-F143 HydrophobicContact CD2-CD1 4.33Å; L97-F143 HydrophobicContact CD2-CE1 4.25Å; L97-F143 HydrophobicContact CG-CE1 4.5Å |
| 98 | T | 92.7 | Very high | 88.8 | Confident | 19 Ų | 19 | 72.4 Ų | 72.4 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.6 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | V42 T43 K106 | V42-T98 WeakPolarHBondContact CA-O 3.46Å; T43-T98 PolarHBondContact N-O 3.37Å; T43-T98 PolarHBondContact O-N 3.33Å; T43-T98 WeakPolarHBondContact OG1-CB 3.48Å; T98-K106 HydrophobicContact CG2-CG 4.13Å |
| 99 | V | 92.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.9 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | W39 V42 L97 D101 T104 R105 Y107 | W39-V99 HydrophobicContact CB-CG1 4.23Å; W39-V99 HydrophobicContact CD2-CG1 3.99Å; W39-V99 HydrophobicContact CD2-CG2 3.9Å; W39-V99 HydrophobicContact CE3-CG2 4.13Å; W39-V99 HydrophobicContact CG-CG1 3.67Å; W39-V99 HydrophobicContact CG-CG2 4.46Å; W39-V99 HydrophobicContact CH2-CG2 4.09Å; W39-V99 HydrophobicContact CZ2-CG2 3.84Å; W39-V99 HydrophobicContact CZ3-CG2 4.24Å; V42-V99 HydrophobicContact CG1-CG2 4.47Å; V42-V99 HydrophobicContact CG2-CG1 4.43Å; V42-V99 HydrophobicContact CG2-CG2 4.32Å; L97-V99 HydrophobicContact CD2-CG2 4.38Å; L97-V99 HydrophobicContact CG-CG2 4.25Å; V99-D101 PolarHBondContact O-N 3.44Å; V99-T104 WeakPolarHBondContact O-CA 3.36Å; V99-R105 PolarHBondContact N-O 3.15Å; V99-R105 PolarHBondContact O-N 3.19Å; V99-Y107 HydrophobicContact CG2-CD2 4.23Å; V99-Y107 HydrophobicContact CG2-CE2 3.88Å |
| 100 | N | 87.2 | Confident | 89.6 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 87.2 | 179.2 | -65.1 | -30.9 | 0 | 0 | 0 | 109.1 | H41 | H41-N100 HydrophobicContact CB-CB 4.04Å; H41-N100 PolarHBondContact O-N 3.19Å |
| 101 | D | 82.2 | Confident | 90 | Very high | 73 Ų | 73 | 63.9 Ų | 63.9 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -110.9 | -166.2 | 167.6 | -170.7 | 11.4 | 0 | 0 | 0 | 109.2 | V99 H103 | V99-D101 PolarHBondContact O-N 3.44Å; D101-H103 CarbonylContact O-C 3.49Å; D101-H103 PolarHBondContact O-N 3.09Å |
| 102 | K | 79.9 | Confident | 90.2 | Very high | 191 Ų | 191 | 63.6 Ų | 63.6 | 83% | 0.83 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -44.4 | -36.7 | 173.7 | -66.1 | -178.1 | -178.9 | -179.8 | 0 | 113.3 | ||
| 103 | H | 83.5 | Confident | 90.2 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -123.4 | 127.5 | 167.6 | -61.4 | -49.4 | 0 | 0 | 0 | 108.6 | D101 R105 | D101-H103 CarbonylContact O-C 3.49Å; D101-H103 PolarHBondContact O-N 3.09Å; H103-R105 PolarHBondContact O-N 3.43Å; H103-R105 VanDerWaalsContact O-N 3.12Å |
| 104 | T | 87.5 | Confident | 90 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | trans | -62.8 | 114.7 | 174.8 | 55.5 | 0 | 0 | 0 | 0 | 109.6 | V99 | V99-T104 WeakPolarHBondContact O-CA 3.36Š| ||
| 105 | R | 89.7 | Confident | 89.2 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137 | 173.8 | -62.1 | -176 | -171.5 | -167.9 | 2.7 | 108.5 | V99 H103 Y107 | V99-R105 PolarHBondContact N-O 3.15Å; V99-R105 PolarHBondContact O-N 3.19Å; H103-R105 PolarHBondContact O-N 3.43Å; H103-R105 VanDerWaalsContact O-N 3.12Å; R105-Y107 HydrophobicContact CB-CE2 4.06Å |
| 106 | K | 92.3 | Very high | 88.6 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138 | 178 | -66.9 | -176.3 | 179.9 | -174.7 | 0 | 109.3 | L97 T98 V146 | L97-K106 CarbonylContact O-C 3.58Å; L97-K106 WeakPolarHBondContact O-CA 3.25Å; T98-K106 HydrophobicContact CG2-CG 4.13Å; K106-V146 HydrophobicContact CB-CB 4.01Å; K106-V146 HydrophobicContact CB-CG2 4.48Å; K106-V146 PolarHBondContact O-N 3.21Å |
| 107 | Y | 93.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 3% | 0.027 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.3 | 174.3 | -52.2 | -90.5 | 0 | 0 | 0 | 109.4 | F28 L32 V34 W39 L97 V99 R105 M144 A145 | F28-Y107 HydrophobicContact CE1-CG 4.41Å; L32-Y107 HydrophobicContact CD2-CD1 3.7Å; L32-Y107 HydrophobicContact CD2-CE1 3.46Å; L32-Y107 VanDerWaalsContact CD2-CE1 3.46Å; V34-Y107 HydrophobicContact CG2-CE1 4.17Å; W39-Y107 HydrophobicContact CH2-CE2 4.44Å; W39-Y107 AromaticContact CZ2-CE2 3.97Å; W39-Y107 HydrophobicContact CZ2-CE2 3.97Å; L97-Y107 HydrophobicContact CD2-CD2 3.9Å; L97-Y107 HydrophobicContact CD2-CG 4.46Å; L97-Y107 HydrophobicContact CG-CD2 4.35Å; L97-Y107 PolarHBondContact N-O 3.42Å; L97-Y107 PolarHBondContact O-N 3.14Å; V99-Y107 HydrophobicContact CG2-CD2 4.23Å; V99-Y107 HydrophobicContact CG2-CE2 3.88Å; R105-Y107 HydrophobicContact CB-CE2 4.06Å; Y107-M144 CarbonylContact C-O 3.59Å; Y107-M144 WeakPolarHBondContact CA-O 3.22Å; Y107-A145 HydrophobicContact CD1-CB 4.26Å; Y107-A145 HydrophobicContact CE1-CB 4.34Å |
| 108 | R | 93.8 | Very high | 88 | Confident | 86 Ų | 86 | 79 Ų | 79 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.5 | 177.2 | -171.9 | -179.3 | -169.7 | -151.8 | 4.3 | 108.8 | E47 P94 W95 F143 M144 V146 | E47-R108 IonicContact OE1-CZ 2.87Å; E47-R108 IonicContact OE1-NE 3.31Å; E47-R108 PolarHBondContact OE1-NE 3.02Å; E47-R108 IonicContact OE1-NH2 3.25Å; E47-R108 IonicContact OE2-CZ 3.78Å; E47-R108 VanDerWaalsContact OE2-CZ 3.25Å; E47-R108 IonicContact OE2-NE 2.77Å; E47-R108 PolarHBondContact OE2-NE 2.86Å; E47-R108 IonicContact OE2-NH2 3.1Å; E47-R108 PolarHBondContact OE2-NH2 2.8Å; P94-R108 HydrophobicContact CB-CG 4.18Å; W95-R108 CarbonylContact O-C 3.58Å; W95-R108 WeakPolarHBondContact O-CA 3.04Å; R108-F143 WeakPolarHBondContact O-CA 3.31Å; R108-M144 PolarHBondContact N-O 3.5Å; R108-M144 PolarHBondContact O-N 3.11Å; R108-V146 HydrophobicContact CB-CG2 3.59Å |
| 109 | G | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 108.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P94 W95 N142 | P94-G109 CarbonylContact C-O 3.54Å; P94-G109 VanDerWaalsContact CA-O 3.31Å; P94-G109 WeakPolarHBondContact CA-O 3.22Å; P94-G109 WeakPolarHBondContact CB-O 3.42Å; W95-G109 PolarHBondContact N-O 2.89Å; W95-G109 PolarHBondContact O-N 3.35Å; G109-N142 WeakPolarHBondContact CA-O 3.49Å |
| 110 | I | 92.6 | Very high | 87.8 | Confident | 71 Ų | 71 | 86.4 Ų | 86.4 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.8 | 176.1 | -58.3 | 176.9 | 0 | 0 | 0 | 108.5 | E112 Y141 N142 M144 | I110-E112 PolarHBondContact O-N 3.48Å; I110-Y141 WeakPolarHBondContact O-CA 3.31Å; I110-N142 PolarHBondContact N-O 3.02Å; I110-N142 PolarHBondContact O-N 2.91Å; I110-M144 HydrophobicContact CD1-CE 3.53Å; I110-M144 HydrophobicContact CG1-CE 4.46Å |
| 111 | R | 92.7 | Very high | 88.1 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 123.6 | 177 | -169.2 | 174.6 | 70.8 | 145.7 | 2.8 | 110 | G113 E139 Y141 | R111-G113 PolarHBondContact O-N 3.03Å; R111-E139 IonicContact NH1-OE1 2.87Å; R111-E139 PolarHBondContact NH1-OE1 3.42Å; R111-Y141 HydrophobicContact CB-CD1 3.94Å; R111-Y141 HydrophobicContact CB-CE1 3.68Å; R111-Y141 HydrophobicContact CG-CD1 4.45Å; R111-Y141 HydrophobicContact CG-CE1 4.05Å |
| 112 | E | 90.1 | Very high | 88.7 | Confident | 70 Ų | 70 | 90 Ų | 90 | 33% | 0.327 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 119.2 | 175 | -166.7 | 167.8 | 171 | 0 | 0 | 108.6 | I110 V115 W140 | I110-E112 PolarHBondContact O-N 3.48Å; E112-V115 HydrophobicContact CB-CG2 3.94Å; E112-V115 HydrophobicContact CG-CG2 3.88Å; E112-W140 HydrophobicContact CB-CB 4.18Å; E112-W140 PolarHBondContact N-O 3.43Å |
| 113 | G | 86.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 148.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R111 | R111-G113 PolarHBondContact O-N 3.03Š|
| 114 | G | 84.2 | Confident | 89.9 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | S116 E117 | G114-S116 VanDerWaalsContact C-N 3.3Å; G114-S116 PolarHBondContact O-N 2.91Å; G114-E117 PolarHBondContact O-N 3.24Å |
| 115 | V | 76.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 82.9 Ų | 82.9 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -33.7 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | E112 Y121 W140 | E112-V115 HydrophobicContact CB-CG2 3.94Å; E112-V115 HydrophobicContact CG-CG2 3.88Å; V115-Y121 HydrophobicContact CG1-CD2 3.6Å; V115-Y121 HydrophobicContact CG1-CE2 3.52Å; V115-Y121 VanDerWaalsContact O-CE2 3.25Å; V115-Y121 WeakPolarHBondContact O-CE2 3.38Å; V115-W140 HydrophobicContact CG1-CB 4.28Å; V115-W140 HydrophobicContact CG1-CE3 4.02Å; V115-W140 HydrophobicContact CG2-CB 3.85Å; V115-W140 HydrophobicContact CG2-CE3 4.09Å |
| 116 | S | 80.4 | Confident | 90.5 | Very high | 83 Ų | 83 | 83.1 Ų | 83.1 | 58% | 0.58 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 15.8 | -177.7 | 69 | 0 | 0 | 0 | 0 | 114.4 | G114 | G114-S116 VanDerWaalsContact C-N 3.3Å; G114-S116 PolarHBondContact O-N 2.91Å |
| 117 | E | 85.3 | Confident | 90.5 | Very high | 139 Ų | 139 | 81.7 Ų | 81.7 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -83.4 | -32 | -173.5 | -167.9 | 174.3 | 170.1 | 0 | 0 | 113.1 | G114 | G114-E117 PolarHBondContact O-N 3.24Š|
| 118 | H | 89.2 | Confident | 90.2 | Very high | 169 Ų | 169 | 82.8 Ų | 82.8 | 78% | 0.782 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -121 | -17.8 | -174.8 | -55.8 | -39.5 | 0 | 0 | 0 | 114 | ||
| 119 | A | 90.9 | Very high | 89.8 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | trans | -154.6 | 145.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 120 | D | 91.7 | Very high | 89.6 | Confident | 124 Ų | 124 | 90.7 Ų | 90.7 | 66% | 0.663 | 49% | 0.487 | S | S | * | . | trans | -95 | 132.2 | 171.4 | -67.7 | -38.2 | 0 | 0 | 0 | 109.9 | ||||
| 121 | Y | 93.2 | Very high | 89.6 | Confident | 110 Ų | 110 | 90 Ų | 90 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | trans | -94.1 | 138.2 | 176.8 | -66.2 | -89 | 0 | 0 | 0 | 110.1 | V115 V137 | V115-Y121 HydrophobicContact CG1-CD2 3.6Å; V115-Y121 HydrophobicContact CG1-CE2 3.52Å; V115-Y121 VanDerWaalsContact O-CE2 3.25Å; V115-Y121 WeakPolarHBondContact O-CE2 3.38Å; Y121-V137 WeakPolarHBondContact O-CB 3.48Å; Y121-V137 WeakPolarHBondContact O-CG2 3.38Å; Y121-V137 PolarHBondContact O-N 3.47Å | ||
| 122 | W | 93.8 | Very high | 89.8 | Confident | 107 Ų | 107 | 86.4 Ų | 86.4 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138 | 178.9 | -68.5 | 79.2 | 0 | 0 | 0 | 109.8 | V14 F124 A134 Y135 P136 | V14-W122 HydrophobicContact CB-CZ3 4.48Å; V14-W122 HydrophobicContact CG1-CH2 3.91Å; V14-W122 HydrophobicContact CG1-CZ3 3.66Å; V14-W122 HydrophobicContact CG2-CH2 4.39Å; V14-W122 HydrophobicContact CG2-CZ3 4Å; W122-F124 HydrophobicContact CB-CD2 4.44Å; W122-F124 HydrophobicContact CB-CE2 3.88Å; W122-A134 HydrophobicContact CE3-CB 3.85Å; W122-A134 HydrophobicContact CZ3-CB 4.37Å; W122-Y135 CarbonylContact C-O 3.54Å; W122-Y135 WeakPolarHBondContact CA-O 3.38Å; W122-P136 HydrophobicContact CD2-CB 4.41Å; W122-P136 HydrophobicContact CE3-CB 4.23Å; W122-P136 HydrophobicContact CH2-CB 4.13Å; W122-P136 HydrophobicContact CH2-CG 4.4Å; W122-P136 HydrophobicContact CZ2-CB 4.29Å; W122-P136 HydrophobicContact CZ3-CB 4.1Å; W122-P136 HydrophobicContact CZ3-CG 4.24Å |
| 123 | I | 94.2 | Very high | 90 | Very high | 55 Ų | 55 | 83.6 Ų | 83.6 | 28% | 0.282 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.6 | 172.9 | -69.1 | 164.1 | 0 | 0 | 0 | 108.1 | V23 I25 V125 A134 Y135 V137 | V23-I123 HydrophobicContact CG1-CD1 3.47Å; V23-I123 VanDerWaalsContact CG1-CD1 3.47Å; I25-I123 HydrophobicContact CD1-CD1 4.42Å; I25-I123 HydrophobicContact CG1-CD1 4.03Å; I123-V125 HydrophobicContact CG2-CG2 4Å; I123-A134 WeakPolarHBondContact O-CA 3.41Å; I123-Y135 PolarHBondContact N-O 3.41Å; I123-Y135 PolarHBondContact O-N 3.03Å; I123-V137 HydrophobicContact CD1-CG2 3.64Å; I123-V137 HydrophobicContact CG1-CG2 3.68Å |
| 124 | F | 95.5 | Very high | 90.4 | Very high | 109 Ų | 109 | 80.4 Ų | 80.4 | 48% | 0.478 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 113.8 | 175 | -70.1 | -101.5 | 0 | 0 | 0 | 109.2 | V12 W122 F132 A134 | V12-F124 HydrophobicContact CB-CE1 4.37Å; V12-F124 HydrophobicContact CG1-CD1 4.13Å; V12-F124 HydrophobicContact CG1-CE1 3.53Å; V12-F124 HydrophobicContact CG1-CZ 4.49Å; V12-F124 HydrophobicContact CG2-CD1 4.33Å; V12-F124 HydrophobicContact CG2-CE1 3.86Å; W122-F124 HydrophobicContact CB-CD2 4.44Å; W122-F124 HydrophobicContact CB-CE2 3.88Å; F124-F132 HydrophobicContact CB-CB 4.5Å; F124-F132 HydrophobicContact CB-CD1 4.03Å; F124-F132 HydrophobicContact CD1-CB 3.98Å; F124-F132 HydrophobicContact CD1-CG 4.49Å; F124-A134 HydrophobicContact CD1-CB 4.02Å; F124-A134 HydrophobicContact CE1-CB 3.86Å; F124-A134 HydrophobicContact CG-CB 4.5Å; F124-A134 HydrophobicContact CZ-CB 4.16Å |
| 125 | V | 94.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 80.9 Ų | 80.9 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.3 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | I123 S127 F132 D133 Y135 | I123-V125 HydrophobicContact CG2-CG2 4Å; V125-S127 PolarHBondContact O-N 2.89Å; V125-S127 VanDerWaalsContact O-N 3.11Å; V125-F132 WeakPolarHBondContact O-CA 3.49Å; V125-D133 PolarHBondContact N-O 2.79Å; V125-D133 PolarHBondContact O-N 3.05Å; V125-Y135 HydrophobicContact CB-CE2 4.19Å; V125-Y135 HydrophobicContact CG2-CD2 3.89Å; V125-Y135 HydrophobicContact CG2-CE2 3.92Å |
| 126 | K | 94.4 | Very high | 91.7 | Very high | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 107.6 | 174.2 | -171.6 | 172 | -178 | 170.2 | 0 | 108.7 | G128 E129 F132 | K126-G128 WeakPolarHBondContact CE-O 3.25Å; K126-G128 WeakPolarHBondContact CG-O 3.39Å; K126-E129 WeakPolarHBondContact CE-O 3.47Å; K126-E129 PolarHBondContact NZ-O 2.87Å; K126-F132 HydrophobicContact CB-CD1 4.05Å; K126-F132 HydrophobicContact CB-CE1 3.68Å; K126-F132 HydrophobicContact CB-CZ 4.41Å; K126-F132 HydrophobicContact CG-CE1 4.14Å; K126-F132 HydrophobicContact CG-CZ 4.43Å |
| 127 | S | 91.2 | Very high | 92.2 | Very high | 69 Ų | 69 | 79.3 Ų | 79.3 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | trans | -92.2 | -23.8 | -177.1 | -157.4 | 0 | 0 | 0 | 0 | 111.5 | V125 I131 D133 | V125-S127 PolarHBondContact O-N 2.89Å; V125-S127 VanDerWaalsContact O-N 3.11Å; S127-I131 PolarHBondContact N-O 2.69Å; S127-D133 WeakPolarHBondContact CB-OD2 3.35Å; S127-D133 PolarHBondContact OG-OD2 2.74Å | ||
| 128 | G | 88.5 | Confident | 92.4 | Very high | 30 Ų | 30 | 75.5 Ų | 75.5 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -158.1 | -167.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K126 N130 I131 | K126-G128 WeakPolarHBondContact CE-O 3.25Å; K126-G128 WeakPolarHBondContact CG-O 3.39Å; G128-N130 PolarHBondContact O-N 3.24Å; G128-I131 PolarHBondContact N-O 2.55Å |
| 129 | E | 85.6 | Confident | 92.5 | Very high | 165 Ų | 165 | 70 Ų | 70 | 77% | 0.771 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -58.3 | -49 | -175.5 | -70.2 | -175.9 | 165.2 | 0 | 0 | 112.5 | K126 | K126-E129 WeakPolarHBondContact CE-O 3.47Å; K126-E129 PolarHBondContact NZ-O 2.87Å |
| 130 | N | 88.9 | Confident | 92.6 | Very high | 88 Ų | 88 | 70 Ų | 70 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -121.7 | 20.8 | -176.3 | -62.1 | -16.9 | 0 | 0 | 0 | 113.5 | F10 I11 G128 | F10-N130 HydrophobicContact CD1-CB 4.26Å; I11-N130 PolarHBondContact N-O 3.21Å; G128-N130 PolarHBondContact O-N 3.24Å |
| 131 | I | 94.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.3 | -175.7 | -55.1 | 173.9 | 0 | 0 | 0 | 110.3 | I11 R13 S127 G128 | I11-I131 WeakPolarHBondContact O-CA 3.31Å; R13-I131 HydrophobicContact CG-CG2 4.24Å; S127-I131 PolarHBondContact N-O 2.69Å; G128-I131 PolarHBondContact N-O 2.55Å |
| 132 | F | 96.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.3 | 170.9 | -72.4 | -83.1 | 0 | 0 | 0 | 110.8 | F10 I11 V12 R13 F124 V125 K126 | F10-F132 HydrophobicContact CB-CD2 3.92Å; F10-F132 HydrophobicContact CB-CE2 4.07Å; F10-F132 AromaticContact CD1-CD2 3.99Å; F10-F132 HydrophobicContact CD1-CD2 3.99Å; F10-F132 AromaticContact CD1-CE2 3.45Å; F10-F132 HydrophobicContact CD1-CE2 3.45Å; F10-F132 VanDerWaalsContact CD1-CE2 3.45Å; F10-F132 HydrophobicContact CD2-CE2 4.34Å; F10-F132 AromaticContact CE1-CE2 3.94Å; F10-F132 HydrophobicContact CE1-CE2 3.94Å; F10-F132 HydrophobicContact CG-CD2 4.08Å; F10-F132 AromaticContact CG-CE2 3.7Å; F10-F132 HydrophobicContact CG-CE2 3.7Å; I11-F132 PolarHBondContact O-N 3.31Å; V12-F132 CarbonylContact C-O 3.55Å; V12-F132 WeakPolarHBondContact CA-O 3.36Å; V12-F132 HydrophobicContact CG2-CB 4.43Å; R13-F132 PolarHBondContact N-O 3Å; F124-F132 HydrophobicContact CB-CB 4.5Å; F124-F132 HydrophobicContact CB-CD1 4.03Å; F124-F132 HydrophobicContact CD1-CB 3.98Å; F124-F132 HydrophobicContact CD1-CG 4.49Å; V125-F132 WeakPolarHBondContact O-CA 3.49Å; K126-F132 HydrophobicContact CB-CD1 4.05Å; K126-F132 HydrophobicContact CB-CE1 3.68Å; K126-F132 HydrophobicContact CB-CZ 4.41Å; K126-F132 HydrophobicContact CG-CE1 4.14Å; K126-F132 HydrophobicContact CG-CZ 4.43Å |
| 133 | D | 95 | Very high | 92.8 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121 | 168.3 | -66.7 | -29.8 | 0 | 0 | 0 | 108.1 | R13 P15 V125 S127 Y135 | R13-D133 IonicContact CZ-OD1 3.28Å; R13-D133 VanDerWaalsContact CZ-OD1 3.28Å; R13-D133 IonicContact NE-OD1 2.83Å; R13-D133 PolarHBondContact NE-OD1 3.28Å; R13-D133 IonicContact NH2-OD1 2.86Å; R13-D133 PolarHBondContact NH2-OD1 3.47Å; R13-D133 IonicContact NH2-OD2 3.09Å; R13-D133 PolarHBondContact NH2-OD2 3.35Å; R13-D133 VanDerWaalsContact NH2-OD2 3.09Å; R13-D133 CarbonylContact O-C 3.54Å; R13-D133 WeakPolarHBondContact O-CA 2.98Å; P15-D133 HydrophobicContact CG-CB 3.89Å; V125-D133 PolarHBondContact N-O 2.79Å; V125-D133 PolarHBondContact O-N 3.05Å; S127-D133 WeakPolarHBondContact CB-OD2 3.35Å; S127-D133 PolarHBondContact OG-OD2 2.74Å; D133-Y135 HydrophobicContact CB-CE2 3.83Å |
| 134 | A | 94.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V12 R13 V14 W122 I123 F124 | V12-A134 HydrophobicContact CG1-CB 3.81Å; R13-A134 PolarHBondContact O-N 2.9Å; V14-A134 HydrophobicContact CG2-CB 4.24Å; W122-A134 HydrophobicContact CE3-CB 3.85Å; W122-A134 HydrophobicContact CZ3-CB 4.37Å; I123-A134 WeakPolarHBondContact O-CA 3.41Å; F124-A134 HydrophobicContact CD1-CB 4.02Å; F124-A134 HydrophobicContact CE1-CB 3.86Å; F124-A134 HydrophobicContact CG-CB 4.5Å; F124-A134 HydrophobicContact CZ-CB 4.16Å |
| 135 | Y | 94 | Very high | 92.6 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.8 | -179.9 | -63.7 | -81.7 | 0 | 0 | 0 | 111 | P15 L17 V23 W122 I123 V125 D133 | P15-Y135 HydrophobicContact CB-CE1 4.17Å; P15-Y135 HydrophobicContact CG-CE1 4.07Å; L17-Y135 HydrophobicContact CD1-CD1 3.48Å; L17-Y135 VanDerWaalsContact CD1-CD1 3.48Å; L17-Y135 HydrophobicContact CD1-CE1 4.04Å; L17-Y135 HydrophobicContact CD2-CD1 3.96Å; L17-Y135 HydrophobicContact CG-CD1 3.97Å; L17-Y135 HydrophobicContact CG-CE1 4.27Å; V23-Y135 HydrophobicContact CG2-CD1 4.43Å; V23-Y135 HydrophobicContact CG2-CG 4.33Å; W122-Y135 CarbonylContact C-O 3.54Å; W122-Y135 WeakPolarHBondContact CA-O 3.38Å; I123-Y135 PolarHBondContact N-O 3.41Å; I123-Y135 PolarHBondContact O-N 3.03Å; V125-Y135 HydrophobicContact CB-CE2 4.19Å; V125-Y135 HydrophobicContact CG2-CD2 3.89Å; V125-Y135 HydrophobicContact CG2-CE2 3.92Å; D133-Y135 HydrophobicContact CB-CE2 3.83Å |
| 136 | P | 93.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 134.3 | 176.6 | 29.8 | -33.7 | 0 | 0 | 0 | 110.7 | W122 | W122-P136 HydrophobicContact CD2-CB 4.41Å; W122-P136 HydrophobicContact CE3-CB 4.23Å; W122-P136 HydrophobicContact CH2-CB 4.13Å; W122-P136 HydrophobicContact CH2-CG 4.4Å; W122-P136 HydrophobicContact CZ2-CB 4.29Å; W122-P136 HydrophobicContact CZ3-CB 4.1Å; W122-P136 HydrophobicContact CZ3-CG 4.24Å |
| 137 | V | 92.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.6 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 109 | I25 Y121 I123 | I25-V137 HydrophobicContact CD1-CB 4.42Å; I25-V137 HydrophobicContact CD1-CG1 3.76Å; I25-V137 HydrophobicContact CD1-CG2 3.82Å; I25-V137 HydrophobicContact CG1-CG1 3.75Å; I25-V137 HydrophobicContact CG1-CG2 4.15Å; Y121-V137 WeakPolarHBondContact O-CB 3.48Å; Y121-V137 WeakPolarHBondContact O-CG2 3.38Å; Y121-V137 PolarHBondContact O-N 3.47Å; I123-V137 HydrophobicContact CD1-CG2 3.64Å; I123-V137 HydrophobicContact CG1-CG2 3.68Å |
| 138 | S | 89.4 | Confident | 91.4 | Very high | 60 Ų | 60 | 58.8 Ų | 58.8 | 42% | 0.42 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -48 | 178.2 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | V23 | V23-S138 PolarHBondContact O-N 2.65Å |
| 139 | E | 91 | Very high | 90.9 | Very high | 53 Ų | 53 | 65 Ų | 65 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.3 | -171.5 | -59.3 | -174.9 | 141.4 | 0 | 0 | 111.6 | T24 I25 R111 Y141 | T24-E139 VanDerWaalsContact CA-O 3.31Å; T24-E139 WeakPolarHBondContact CA-O 3.12Å; T24-E139 HydrophobicContact CG2-CB 4.13Å; I25-E139 PolarHBondContact N-O 2.99Å; R111-E139 IonicContact NH1-OE1 2.87Å; R111-E139 PolarHBondContact NH1-OE1 3.42Å; E139-Y141 HydrophobicContact CB-CE2 3.87Å; E139-Y141 PolarHBondContact OE2-OH 3.02Å |
| 140 | W | 92.9 | Very high | 90.7 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 20% | 0.197 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.7 | 172 | -156.2 | -11 | 0 | 0 | 0 | 110.2 | I25 K27 E112 V115 | I25-W140 HydrophobicContact CB-CG 4.14Å; I25-W140 HydrophobicContact CG2-CG 4.36Å; I25-W140 VanDerWaalsContact O-CD1 3.29Å; K27-W140 HydrophobicContact CB-CZ2 4.22Å; K27-W140 HydrophobicContact CD-CZ2 3.65Å; K27-W140 HydrophobicContact CG-CZ2 4.33Å; E112-W140 HydrophobicContact CB-CB 4.18Å; E112-W140 PolarHBondContact N-O 3.43Å; V115-W140 HydrophobicContact CG1-CB 4.28Å; V115-W140 HydrophobicContact CG1-CE3 4.02Å; V115-W140 HydrophobicContact CG2-CB 3.85Å; V115-W140 HydrophobicContact CG2-CE3 4.09Å |
| 141 | Y | 94.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.1 | 170.8 | -62.9 | -90.7 | 0 | 0 | 0 | 110.8 | T24 I25 F26 K27 R46 W95 I110 R111 E139 | T24-Y141 HydrophobicContact CG2-CE2 4.28Å; I25-Y141 PolarHBondContact O-N 3.24Å; F26-Y141 HydrophobicContact CD1-CD2 4.12Å; F26-Y141 HydrophobicContact CD1-CG 4.46Å; F26-Y141 AromaticContact CE1-CD2 3.85Å; F26-Y141 HydrophobicContact CE1-CD2 3.85Å; F26-Y141 HydrophobicContact CE1-CG 4.41Å; K27-Y141 PolarHBondContact N-O 3.06Å; R46-Y141 PolarHBondContact NH2-OH 3.21Å; W95-Y141 AromaticContact CD1-CD1 3.38Å; W95-Y141 AromaticContact CD1-CD2 3.85Å; W95-Y141 AromaticContact CD1-CE1 3.28Å; W95-Y141 AromaticContact CD1-CE2 3.81Å; W95-Y141 AromaticContact CD1-CG 3.64Å; W95-Y141 AromaticContact CD1-CZ 3.52Å; W95-Y141 HydrophobicContact CG-CE1 4.48Å; W95-Y141 AromaticContact NE1-CD1 3.99Å; W95-Y141 AromaticContact NE1-CD2 3.89Å; W95-Y141 AromaticContact NE1-CE1 3.49Å; W95-Y141 AromaticContact NE1-CE2 3.43Å; W95-Y141 AromaticContact NE1-CZ 3.2Å; I110-Y141 WeakPolarHBondContact O-CA 3.31Å; R111-Y141 HydrophobicContact CB-CD1 3.94Å; R111-Y141 HydrophobicContact CB-CE1 3.68Å; R111-Y141 HydrophobicContact CG-CD1 4.45Å; R111-Y141 HydrophobicContact CG-CE1 4.05Å; E139-Y141 HydrophobicContact CB-CE2 3.87Å; E139-Y141 PolarHBondContact OE2-OH 3.02Å |
| 142 | N | 94.2 | Very high | 89.2 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 116.2 | 174.9 | -171 | 9.5 | 0 | 0 | 0 | 109.7 | G109 I110 | G109-N142 WeakPolarHBondContact CA-O 3.49Å; I110-N142 PolarHBondContact N-O 3.02Å; I110-N142 PolarHBondContact O-N 2.91Å |
| 143 | F | 94.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.3 | -178 | -79.5 | -93.8 | 0 | 0 | 0 | 111.9 | F26 K27 F28 L44 W95 L97 R108 | F26-F143 HydrophobicContact CB-CD2 3.96Å; F26-F143 HydrophobicContact CB-CE2 3.58Å; F26-F143 AromaticContact CD1-CE2 3.52Å; F26-F143 HydrophobicContact CD1-CE2 3.52Å; F26-F143 HydrophobicContact CD1-CZ 4.16Å; F26-F143 HydrophobicContact CD2-CE2 4.34Å; F26-F143 HydrophobicContact CE1-CE2 4.26Å; F26-F143 HydrophobicContact CG-CD2 4.42Å; F26-F143 AromaticContact CG-CE2 3.56Å; F26-F143 HydrophobicContact CG-CE2 3.56Å; F26-F143 HydrophobicContact CG-CZ 4.21Å; K27-F143 WeakPolarHBondContact O-CB 3.48Å; K27-F143 PolarHBondContact O-N 3.44Å; F28-F143 HydrophobicContact CD1-CB 3.67Å; F28-F143 HydrophobicContact CD1-CG 4.35Å; F28-F143 HydrophobicContact CE1-CB 3.62Å; F28-F143 HydrophobicContact CE1-CD1 4.28Å; F28-F143 HydrophobicContact CE1-CD2 4.34Å; F28-F143 AromaticContact CE1-CG 3.82Å; F28-F143 HydrophobicContact CE1-CG 3.82Å; F28-F143 HydrophobicContact CZ-CB 4.41Å; F28-F143 HydrophobicContact CZ-CD2 4.35Å; F28-F143 HydrophobicContact CZ-CG 4.24Å; L44-F143 HydrophobicContact CD1-CZ 4.22Å; W95-F143 HydrophobicContact CB-CE1 4.25Å; W95-F143 HydrophobicContact CB-CZ 3.95Å; L97-F143 HydrophobicContact CB-CD1 4.06Å; L97-F143 HydrophobicContact CB-CE1 3.53Å; L97-F143 HydrophobicContact CB-CZ 4.43Å; L97-F143 HydrophobicContact CD2-CD1 4.33Å; L97-F143 HydrophobicContact CD2-CE1 4.25Å; L97-F143 HydrophobicContact CG-CE1 4.5Å; R108-F143 WeakPolarHBondContact O-CA 3.31Å |
| 144 | M | 92.7 | Very high | 87.3 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 48% | 0.478 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.6 | 172.9 | -59.5 | -172.2 | -60.9 | 0 | 0 | 110.3 | Y107 R108 I110 V146 | Y107-M144 CarbonylContact C-O 3.59Å; Y107-M144 WeakPolarHBondContact CA-O 3.22Å; R108-M144 PolarHBondContact N-O 3.5Å; R108-M144 PolarHBondContact O-N 3.11Å; I110-M144 HydrophobicContact CD1-CE 3.53Å; I110-M144 HydrophobicContact CG1-CE 4.46Å; M144-V146 PolarHBondContact O-N 2.75Å |
| 145 | A | 92.2 | Very high | 86.6 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L32 Y107 | L32-A145 HydrophobicContact CD2-CB 3.58Å; Y107-A145 HydrophobicContact CD1-CB 4.26Å; Y107-A145 HydrophobicContact CE1-CB 4.34Å |
| 146 | V | 89 | Confident | 85.9 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.3 | 169.9 | -178 | 0 | 0 | 0 | 0 | 107.4 | K106 R108 M144 R148 | K106-V146 HydrophobicContact CB-CB 4.01Å; K106-V146 HydrophobicContact CB-CG2 4.48Å; K106-V146 PolarHBondContact O-N 3.21Å; R108-V146 HydrophobicContact CB-CG2 3.59Å; M144-V146 PolarHBondContact O-N 2.75Å; V146-R148 PolarHBondContact O-N 3.37Å |
| 147 | S | 84.9 | Confident | 85.3 | Confident | 86 Ų | 86 | 83.2 Ų | 83.2 | 60% | 0.601 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 135.1 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | F149 | S147-F149 WeakPolarHBondContact CB-O 3.46Å; S147-F149 PolarHBondContact O-N 3.29Å; S147-F149 PolarHBondContact OG-N 3.49Å; S147-F149 PolarHBondContact OG-O 3.49Å |
| 148 | R | 82.3 | Confident | 84.6 | Confident | 161 Ų | 161 | 86.5 Ų | 86.5 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -61.2 | -27.1 | 175.9 | -66.1 | -176 | -68.2 | -166.9 | -1.8 | 112.1 | V146 | V146-R148 PolarHBondContact O-N 3.37Š|
| 149 | F | 78.5 | Confident | 84 | Confident | 162 Ų | 162 | 89.5 Ų | 89.5 | 71% | 0.711 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -115.6 | 126.5 | 179 | -56.3 | -72.3 | 0 | 0 | 0 | 109.4 | S147 | S147-F149 WeakPolarHBondContact CB-O 3.46Å; S147-F149 PolarHBondContact O-N 3.29Å; S147-F149 PolarHBondContact OG-N 3.49Å; S147-F149 PolarHBondContact OG-O 3.49Å |
| 150 | K | 80.8 | Confident | 83.2 | Confident | 188 Ų | 188 | 91.8 Ų | 91.8 | 82% | 0.817 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 125.4 | 167.6 | -179.5 | 164.9 | 179.2 | 168.1 | 0 | 107.6 | L152 | K150-L152 PolarHBondContact O-N 3.16Š|
| 151 | A | 76.2 | Confident | 82.1 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 74% | 0.744 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 129 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108 | D153 | A151-D153 PolarHBondContact O-N 3.4Š|
| 152 | L | 74.6 | Confident | 81.1 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 135.4 | 174.1 | -71 | 99 | 0 | 0 | 0 | 108.1 | K150 Q156 A157 K160 | K150-L152 PolarHBondContact O-N 3.16Å; L152-Q156 HydrophobicContact CB-CB 4.39Å; L152-Q156 HydrophobicContact CD2-CB 4.39Å; L152-Q156 HydrophobicContact CD2-CG 3.95Å; L152-A157 HydrophobicContact CB-CB 4.04Å; L152-K160 HydrophobicContact CD2-CB 4.35Å; L152-K160 HydrophobicContact CD2-CG 3.71Å |
| 153 | D | 76.5 | Confident | 80.1 | Confident | 114 Ų | 114 | 102.8 Ų | 102.8 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 157 | 173.2 | -149.7 | -10.8 | 0 | 0 | 0 | 110 | A151 D155 Q156 A157 | A151-D153 PolarHBondContact O-N 3.4Å; D153-D155 VanDerWaalsContact C-N 3.25Å; D153-D155 PolarHBondContact O-N 3.41Å; D153-Q156 HydrophobicContact CB-CB 4.44Å; D153-Q156 CarbonylContact O-C 3.54Å; D153-Q156 WeakPolarHBondContact O-CA 3.38Å; D153-Q156 PolarHBondContact O-N 2.95Å; D153-A157 VanDerWaalsContact O-CB 3.32Å; D153-A157 WeakPolarHBondContact O-CB 3.48Å; D153-A157 PolarHBondContact O-N 3.34Å |
| 154 | I | 76 | Confident | 78.6 | Confident | 121 Ų | 121 | 111.2 Ų | 111.2 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -54.4 | -45.8 | -173.4 | -63.3 | 170.1 | 0 | 0 | 0 | 110.5 | Q156 A157 E158 | I154-Q156 VanDerWaalsContact C-N 3.35Å; I154-Q156 PolarHBondContact O-N 3.31Å; I154-A157 PolarHBondContact O-N 2.86Å; I154-E158 HydrophobicContact CG2-CG 4.49Å; I154-E158 WeakPolarHBondContact O-CB 3.26Å; I154-E158 WeakPolarHBondContact O-CG 3.4Å; I154-E158 PolarHBondContact O-N 3.47Å |
| 155 | D | 78.9 | Confident | 76.8 | Confident | 122 Ų | 122 | 109.4 Ų | 109.4 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -40.3 | 178.2 | -63.6 | -25.4 | 0 | 0 | 0 | 112.5 | D153 E159 | D153-D155 VanDerWaalsContact C-N 3.25Å; D153-D155 PolarHBondContact O-N 3.41Å; D155-E159 WeakPolarHBondContact O-CB 3.18Å; D155-E159 PolarHBondContact O-N 3.44Å |
| 156 | Q | 80.4 | Confident | 75.4 | Confident | 97 Ų | 97 | 114.7 Ų | 114.7 | 45% | 0.453 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.7 | -35.2 | 179.2 | -159.2 | -171.9 | 13.1 | 0 | 0 | 111.6 | L152 D153 I154 K160 | L152-Q156 HydrophobicContact CB-CB 4.39Å; L152-Q156 HydrophobicContact CD2-CB 4.39Å; L152-Q156 HydrophobicContact CD2-CG 3.95Å; D153-Q156 HydrophobicContact CB-CB 4.44Å; D153-Q156 CarbonylContact O-C 3.54Å; D153-Q156 WeakPolarHBondContact O-CA 3.38Å; D153-Q156 PolarHBondContact O-N 2.95Å; I154-Q156 VanDerWaalsContact C-N 3.35Å; I154-Q156 PolarHBondContact O-N 3.31Å; Q156-K160 WeakPolarHBondContact O-CB 3.47Å; Q156-K160 VanDerWaalsContact O-CG 3.26Å; Q156-K160 WeakPolarHBondContact O-CG 3.45Å; Q156-K160 PolarHBondContact O-N 2.93Å |
| 157 | A | 79.8 | Confident | 73.7 | Confident | 43 Ų | 43 | 115.1 Ų | 115.1 | 36% | 0.355 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.4 | -43.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L152 D153 I154 K160 F161 | L152-A157 HydrophobicContact CB-CB 4.04Å; D153-A157 VanDerWaalsContact O-CB 3.32Å; D153-A157 WeakPolarHBondContact O-CB 3.48Å; D153-A157 PolarHBondContact O-N 3.34Å; I154-A157 PolarHBondContact O-N 2.86Å; A157-K160 CarbonylContact O-C 3.56Å; A157-K160 PolarHBondContact O-N 2.98Å; A157-F161 WeakPolarHBondContact O-CB 3.25Å; A157-F161 PolarHBondContact O-N 2.77Å |
| 158 | E | 77.5 | Confident | 72.4 | Confident | 90 Ų | 90 | 118.6 Ų | 118.6 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.6 | -43.8 | 173.2 | -81.4 | -168.6 | -163.2 | 0 | 0 | 112.1 | I154 K160 F161 K162 | I154-E158 HydrophobicContact CG2-CG 4.49Å; I154-E158 WeakPolarHBondContact O-CB 3.26Å; I154-E158 WeakPolarHBondContact O-CG 3.4Å; I154-E158 PolarHBondContact O-N 3.47Å; E158-K160 VanDerWaalsContact C-N 3.35Å; E158-F161 CarbonylContact O-C 3.59Å; E158-F161 PolarHBondContact O-N 3.1Å; E158-K162 VanDerWaalsContact O-CB 3.32Å; E158-K162 WeakPolarHBondContact O-CB 3.38Å; E158-K162 WeakPolarHBondContact O-CD 3.33Å; E158-K162 WeakPolarHBondContact O-CG 3.15Å; E158-K162 PolarHBondContact O-N 3.36Å; E158-K162 IonicContact OE2-NZ 3.19Å; E158-K162 PolarHBondContact OE2-NZ 3.49Å |
| 159 | E | 78.2 | Confident | 71.5 | Confident | 122 Ų | 122 | 114.8 Ų | 114.8 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -44.1 | 176.6 | -170.1 | 176.9 | -165.9 | 0 | 0 | 110.6 | D155 F161 K162 E163 | D155-E159 WeakPolarHBondContact O-CB 3.18Å; D155-E159 PolarHBondContact O-N 3.44Å; E159-F161 VanDerWaalsContact C-N 3.28Å; E159-F161 PolarHBondContact O-N 2.85Å; E159-K162 WeakPolarHBondContact O-CB 3.32Å; E159-K162 PolarHBondContact O-N 3.14Å; E159-E163 WeakPolarHBondContact O-CG 3.33Å; E159-E163 PolarHBondContact O-N 3.43Å |
| 160 | K | 73.8 | Confident | 70.9 | Confident | 101 Ų | 101 | 112.3 Ų | 112.3 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -32.3 | 174.2 | -75.4 | -75.4 | 167.6 | -154.8 | 0 | 112.7 | L152 Q156 A157 E158 E163 R164 | L152-K160 HydrophobicContact CD2-CB 4.35Å; L152-K160 HydrophobicContact CD2-CG 3.71Å; Q156-K160 WeakPolarHBondContact O-CB 3.47Å; Q156-K160 VanDerWaalsContact O-CG 3.26Å; Q156-K160 WeakPolarHBondContact O-CG 3.45Å; Q156-K160 PolarHBondContact O-N 2.93Å; A157-K160 CarbonylContact O-C 3.56Å; A157-K160 PolarHBondContact O-N 2.98Å; E158-K160 VanDerWaalsContact C-N 3.35Å; K160-E163 WeakPolarHBondContact CD-OE2 3.46Å; K160-E163 IonicContact NZ-OE2 3.87Å; K160-E163 PolarHBondContact NZ-OE2 2.77Å; K160-E163 WeakPolarHBondContact O-CB 3.32Å; K160-E163 PolarHBondContact O-N 3.37Å; K160-R164 WeakPolarHBondContact O-CG 3.38Å; K160-R164 PolarHBondContact O-N 3.09Å |
| 161 | F | 69.6 | Low | 70.3 | Confident | 146 Ų | 146 | 111.3 Ų | 111.3 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.4 | -41.1 | 175.9 | -168.9 | -95.1 | 0 | 0 | 0 | 111.4 | A157 E158 E159 E163 R164 G165 | A157-F161 WeakPolarHBondContact O-CB 3.25Å; A157-F161 PolarHBondContact O-N 2.77Å; E158-F161 CarbonylContact O-C 3.59Å; E158-F161 PolarHBondContact O-N 3.1Å; E159-F161 VanDerWaalsContact C-N 3.28Å; E159-F161 PolarHBondContact O-N 2.85Å; F161-E163 VanDerWaalsContact C-N 3.27Å; F161-E163 PolarHBondContact O-N 3.23Å; F161-R164 WeakPolarHBondContact O-CA 3.45Å; F161-R164 WeakPolarHBondContact O-CB 3.41Å; F161-R164 PolarHBondContact O-N 3.28Å; F161-G165 PolarHBondContact O-N 3.2Å |
| 162 | K | 72.8 | Confident | 70.1 | Confident | 141 Ų | 141 | 109 Ų | 109 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.3 | -39.6 | 169 | -72 | 163.4 | -170.9 | 158.9 | 0 | 110.4 | E158 E159 G165 | E158-K162 VanDerWaalsContact O-CB 3.32Å; E158-K162 WeakPolarHBondContact O-CB 3.38Å; E158-K162 WeakPolarHBondContact O-CD 3.33Å; E158-K162 WeakPolarHBondContact O-CG 3.15Å; E158-K162 PolarHBondContact O-N 3.36Å; E158-K162 IonicContact OE2-NZ 3.19Å; E158-K162 PolarHBondContact OE2-NZ 3.49Å; E159-K162 WeakPolarHBondContact O-CB 3.32Å; E159-K162 PolarHBondContact O-N 3.14Å; K162-G165 PolarHBondContact O-N 2.8Å |
| 163 | E | 72.6 | Confident | 69.7 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 28% | 0.28 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 171.2 | -72.8 | -167.1 | 137.5 | 0 | 0 | 111.9 | E159 K160 F161 G165 K166 V167 R207 | E159-E163 WeakPolarHBondContact O-CG 3.33Å; E159-E163 PolarHBondContact O-N 3.43Å; K160-E163 WeakPolarHBondContact CD-OE2 3.46Å; K160-E163 IonicContact NZ-OE2 3.87Å; K160-E163 PolarHBondContact NZ-OE2 2.77Å; K160-E163 WeakPolarHBondContact O-CB 3.32Å; K160-E163 PolarHBondContact O-N 3.37Å; F161-E163 VanDerWaalsContact C-N 3.27Å; F161-E163 PolarHBondContact O-N 3.23Å; E163-G165 VanDerWaalsContact C-N 3.33Å; E163-G165 PolarHBondContact O-N 3.42Å; E163-K166 WeakPolarHBondContact O-CA 3.49Å; E163-K166 WeakPolarHBondContact O-CB 3.44Å; E163-K166 PolarHBondContact O-N 3.1Å; E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 3.3Å; E163-R207 IonicContact OE1-NH2 3.82Å; E163-R207 PolarHBondContact OE1-NH2 2.88Å; E163-R207 VanDerWaalsContact OE1-NH2 3.1Å |
| 164 | R | 62.8 | Low | 69.6 | Low | 178 Ų | 178 | 109.3 Ų | 109.3 | 67% | 0.672 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -35.8 | 176.9 | -78.1 | 179.9 | -177.2 | -178.1 | 2.2 | 112.9 | K160 F161 K166 V167 L168 | K160-R164 WeakPolarHBondContact O-CG 3.38Å; K160-R164 PolarHBondContact O-N 3.09Å; F161-R164 WeakPolarHBondContact O-CA 3.45Å; F161-R164 WeakPolarHBondContact O-CB 3.41Å; F161-R164 PolarHBondContact O-N 3.28Å; R164-K166 PolarHBondContact O-N 3.03Å; R164-V167 CarbonylContact O-C 3.55Å; R164-V167 WeakPolarHBondContact O-CA 3.5Å; R164-V167 PolarHBondContact O-N 3.38Å; R164-L168 PolarHBondContact O-N 2.93Å |
| 165 | G | 56.8 | Low | 69.6 | Low | 59 Ų | 59 | 106.6 Ų | 106.6 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.1 | -29.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F161 K162 E163 V167 | F161-G165 PolarHBondContact O-N 3.2Å; K162-G165 PolarHBondContact O-N 2.8Å; E163-G165 VanDerWaalsContact C-N 3.33Å; E163-G165 PolarHBondContact O-N 3.42Å; G165-V167 VanDerWaalsContact C-N 3.32Å |
| 166 | K | 60.9 | Low | 69.4 | Low | 177 Ų | 177 | 106.3 Ų | 106.3 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -15.6 | 174.7 | -141.8 | 169.1 | -170.9 | 167.9 | 0 | 113.6 | E163 R164 | E163-K166 WeakPolarHBondContact O-CA 3.49Å; E163-K166 WeakPolarHBondContact O-CB 3.44Å; E163-K166 PolarHBondContact O-N 3.1Å; R164-K166 PolarHBondContact O-N 3.03Å |
| 167 | V | 55.1 | Low | 69.1 | Low | 70 Ų | 70 | 106.3 Ų | 106.3 | 42% | 0.424 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -5.1 | -175.1 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | E163 R164 G165 N169 Q170 | E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 3.3Å; R164-V167 CarbonylContact O-C 3.55Å; R164-V167 WeakPolarHBondContact O-CA 3.5Å; R164-V167 PolarHBondContact O-N 3.38Å; G165-V167 VanDerWaalsContact C-N 3.32Å; V167-N169 PolarHBondContact O-N 3.36Å; V167-Q170 HydrophobicContact CG1-CG 3.7Å; V167-Q170 PolarHBondContact O-N 2.74Å |
| 168 | L | 56.2 | Low | 68.9 | Low | 159 Ų | 159 | 113.4 Ų | 113.4 | 83% | 0.832 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 6.3 | 178.8 | -155.7 | 72.7 | 0 | 0 | 0 | 114.5 | R164 | R164-L168 PolarHBondContact O-N 2.93Š|
| 169 | N | 63.4 | Low | 68.7 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 43% | 0.428 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 17 | 168.2 | -158.1 | -4.3 | 0 | 0 | 0 | 112 | V167 A172 L173 | V167-N169 PolarHBondContact O-N 3.36Å; N169-A172 WeakPolarHBondContact OD1-CB 3.5Å; N169-L173 WeakPolarHBondContact O-CA 3.39Å; N169-L173 WeakPolarHBondContact O-CB 3.39Å; N169-L173 WeakPolarHBondContact O-CD1 3.32Å; N169-L173 VanDerWaalsContact O-CG 3.25Å; N169-L173 WeakPolarHBondContact O-CG 3.18Å; N169-L173 PolarHBondContact O-N 3.29Å; N169-L173 PolarHBondContact OD1-N 2.73Å |
| 170 | Q | 66.4 | Low | 68.4 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 175.5 | -81.4 | -162.9 | 20.3 | 0 | 0 | 112.9 | V167 K174 | V167-Q170 HydrophobicContact CG1-CG 3.7Å; V167-Q170 PolarHBondContact O-N 2.74Å; Q170-K174 VanDerWaalsContact O-CB 3.3Å; Q170-K174 WeakPolarHBondContact O-CB 3.48Å; Q170-K174 VanDerWaalsContact O-CG 3.31Å; Q170-K174 WeakPolarHBondContact O-CG 3.41Å; Q170-K174 PolarHBondContact O-N 3.41Å |
| 171 | F | 67.8 | Low | 68 | Low | 167 Ų | 167 | 108 Ų | 108 | 73% | 0.732 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71 | -50.6 | 177.9 | -158.9 | -94.6 | 0 | 0 | 0 | 110 | L173 K174 T175 | F171-L173 VanDerWaalsContact C-N 3.34Å; F171-L173 PolarHBondContact O-N 2.91Å; F171-K174 CarbonylContact O-C 3.53Å; F171-K174 WeakPolarHBondContact O-CA 3.49Å; F171-K174 PolarHBondContact O-N 2.79Å; F171-T175 PolarHBondContact O-N 3.21Å; F171-T175 PolarHBondContact O-OG1 3.09Å |
| 172 | A | 72.1 | Confident | 67.6 | Low | 43 Ų | 43 | 106.3 Ų | 106.3 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N169 T175 Q176 | N169-A172 WeakPolarHBondContact OD1-CB 3.5Å; A172-T175 PolarHBondContact O-N 2.95Å; A172-Q176 VanDerWaalsContact O-CB 3.24Å; A172-Q176 WeakPolarHBondContact O-CB 3.49Å; A172-Q176 WeakPolarHBondContact O-CG 3.48Å; A172-Q176 PolarHBondContact O-N 2.8Å |
| 173 | L | 66.9 | Low | 66.9 | Low | 78 Ų | 78 | 107.7 Ų | 107.7 | 41% | 0.408 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 167.9 | -86.8 | 160.2 | 0 | 0 | 0 | 112.5 | N169 F171 L177 | N169-L173 WeakPolarHBondContact O-CA 3.39Å; N169-L173 WeakPolarHBondContact O-CB 3.39Å; N169-L173 WeakPolarHBondContact O-CD1 3.32Å; N169-L173 VanDerWaalsContact O-CG 3.25Å; N169-L173 WeakPolarHBondContact O-CG 3.18Å; N169-L173 PolarHBondContact O-N 3.29Å; N169-L173 PolarHBondContact OD1-N 2.73Å; F171-L173 VanDerWaalsContact C-N 3.34Å; F171-L173 PolarHBondContact O-N 2.91Å; L173-L177 VanDerWaalsContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CB 3.48Å; L173-L177 PolarHBondContact O-N 2.88Å |
| 174 | K | 74.8 | Confident | 65.6 | Low | 132 Ų | 132 | 106.5 Ų | 106.5 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -37.5 | 176.9 | -81.7 | -178.1 | 178 | -178.1 | 0 | 111.9 | Q170 F171 L177 R178 | Q170-K174 VanDerWaalsContact O-CB 3.3Å; Q170-K174 WeakPolarHBondContact O-CB 3.48Å; Q170-K174 VanDerWaalsContact O-CG 3.31Å; Q170-K174 WeakPolarHBondContact O-CG 3.41Å; Q170-K174 PolarHBondContact O-N 3.41Å; F171-K174 CarbonylContact O-C 3.53Å; F171-K174 WeakPolarHBondContact O-CA 3.49Å; F171-K174 PolarHBondContact O-N 2.79Å; K174-L177 PolarHBondContact O-N 2.97Å; K174-R178 WeakPolarHBondContact O-CB 3.39Å; K174-R178 WeakPolarHBondContact O-CG 3.39Å; K174-R178 PolarHBondContact O-N 3.39Å |
| 175 | T | 75.3 | Confident | 64.6 | Low | 63 Ų | 63 | 105 Ų | 105 | 39% | 0.387 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.7 | -44.4 | 175.9 | -44.5 | 0 | 0 | 0 | 0 | 110.1 | F171 A172 L177 R178 T179 | F171-T175 PolarHBondContact O-N 3.21Å; F171-T175 PolarHBondContact O-OG1 3.09Å; A172-T175 PolarHBondContact O-N 2.95Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.22Å; T175-R178 CarbonylContact O-C 3.56Å; T175-R178 WeakPolarHBondContact O-CA 3.35Å; T175-R178 WeakPolarHBondContact O-CB 3.35Å; T175-R178 PolarHBondContact O-N 2.92Å; T175-T179 WeakPolarHBondContact O-CG2 3.09Å; T175-T179 PolarHBondContact O-N 3.42Å; T175-T179 PolarHBondContact O-OG1 3.33Å |
| 176 | Q | 74.2 | Confident | 64.1 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -37.7 | 171.5 | -74.7 | 177 | 6.6 | 0 | 0 | 112.1 | A172 R178 T179 A180 | A172-Q176 VanDerWaalsContact O-CB 3.24Å; A172-Q176 WeakPolarHBondContact O-CB 3.49Å; A172-Q176 WeakPolarHBondContact O-CG 3.48Å; A172-Q176 PolarHBondContact O-N 2.8Å; Q176-R178 VanDerWaalsContact C-N 3.3Å; Q176-R178 PolarHBondContact O-N 3.44Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.45Å; Q176-T179 PolarHBondContact O-OG1 3.44Å; Q176-A180 WeakPolarHBondContact O-CB 3.23Å; Q176-A180 PolarHBondContact O-N 3.37Å |
| 177 | L | 74.1 | Confident | 63.6 | Low | 97 Ų | 97 | 111 Ų | 111 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.7 | -31.8 | 173.4 | -127.3 | 90.2 | 0 | 0 | 0 | 111.6 | L173 K174 T175 N181 | L173-L177 VanDerWaalsContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CB 3.48Å; L173-L177 PolarHBondContact O-N 2.88Å; K174-L177 PolarHBondContact O-N 2.97Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.22Å; L177-N181 WeakPolarHBondContact O-CB 3.48Å; L177-N181 PolarHBondContact O-N 3.46Å; L177-N181 PolarHBondContact O-ND2 2.92Å |
| 178 | R | 75.5 | Confident | 63.3 | Low | 192 Ų | 192 | 113.6 Ų | 113.6 | 73% | 0.725 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.7 | -48.4 | 176.1 | -80.1 | -179.7 | -176.4 | -176.3 | 0.1 | 111 | K174 T175 Q176 N181 S182 | K174-R178 WeakPolarHBondContact O-CB 3.39Å; K174-R178 WeakPolarHBondContact O-CG 3.39Å; K174-R178 PolarHBondContact O-N 3.39Å; T175-R178 CarbonylContact O-C 3.56Å; T175-R178 WeakPolarHBondContact O-CA 3.35Å; T175-R178 WeakPolarHBondContact O-CB 3.35Å; T175-R178 PolarHBondContact O-N 2.92Å; Q176-R178 VanDerWaalsContact C-N 3.3Å; Q176-R178 PolarHBondContact O-N 3.44Å; R178-N181 PolarHBondContact O-N 3.21Å; R178-N181 VanDerWaalsContact O-N 3.14Å; R178-S182 PolarHBondContact O-N 3.12Å |
| 179 | T | 74.1 | Confident | 63.1 | Low | 69 Ų | 69 | 107 Ų | 107 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 178.3 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | T175 Q176 N181 S182 E183 | T175-T179 WeakPolarHBondContact O-CG2 3.09Å; T175-T179 PolarHBondContact O-N 3.42Å; T175-T179 PolarHBondContact O-OG1 3.33Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.45Å; Q176-T179 PolarHBondContact O-OG1 3.44Å; T179-N181 PolarHBondContact O-N 3.2Å; T179-S182 PolarHBondContact O-N 3.34Å; T179-E183 PolarHBondContact O-N 3.38Å |
| 180 | A | 71.5 | Confident | 62.3 | Low | 56 Ų | 56 | 110.3 Ų | 110.3 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -19.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q176 A184 | Q176-A180 WeakPolarHBondContact O-CB 3.23Å; Q176-A180 PolarHBondContact O-N 3.37Å; A180-A184 WeakPolarHBondContact O-CB 3.46Å |
| 181 | N | 65.6 | Low | 61.2 | Low | 75 Ų | 75 | 111.6 Ų | 111.6 | 40% | 0.401 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -87.7 | -19.1 | 170.6 | -78.7 | -45.9 | 0 | 0 | 0 | 112.8 | L177 R178 T179 R193 | L177-N181 WeakPolarHBondContact O-CB 3.48Å; L177-N181 PolarHBondContact O-N 3.46Å; L177-N181 PolarHBondContact O-ND2 2.92Å; R178-N181 PolarHBondContact O-N 3.21Å; R178-N181 VanDerWaalsContact O-N 3.14Å; T179-N181 PolarHBondContact O-N 3.2Å; N181-R193 PolarHBondContact OD1-NH2 3.39Å |
| 182 | S | 60.8 | Low | 60.4 | Low | 111 Ų | 111 | 111.7 Ų | 111.7 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -89.4 | -28.6 | 175.2 | -81.5 | 0 | 0 | 0 | 0 | 113.4 | R178 T179 | R178-S182 PolarHBondContact O-N 3.12Å; T179-S182 PolarHBondContact O-N 3.34Å |
| 183 | E | 57.9 | Low | 59.3 | Low | 169 Ų | 169 | 116.1 Ų | 116.1 | 79% | 0.79 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -96.6 | -13 | 179.9 | -71 | 177.5 | 168.9 | 0 | 0 | 113.8 | T179 N185 | T179-E183 PolarHBondContact O-N 3.38Å; E183-N185 PolarHBondContact O-N 3.46Å; E183-N185 VanDerWaalsContact O-N 3.13Å |
| 184 | A | 46 | Very low | 58.6 | Low | 36 Ų | 36 | 116 Ų | 116 | 30% | 0.298 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -88 | 93.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A180 E186 V189 | A180-A184 WeakPolarHBondContact O-CB 3.46Å; A184-E186 PolarHBondContact O-N 3.02Å; A184-V189 HydrophobicContact CB-CG2 3.44Å; A184-V189 VanDerWaalsContact CB-CG2 3.44Å; A184-V189 WeakPolarHBondContact O-CG2 3.31Å |
| 185 | N | 42.2 | Very low | 57.6 | Low | 147 Ų | 147 | 115.4 Ų | 115.4 | 79% | 0.786 | 57% | 0.568 | S | S | * | * | trans | -25.7 | 122.1 | 152 | -148.1 | 1.2 | 0 | 0 | 0 | 110.5 | E183 E187 E188 | E183-N185 PolarHBondContact O-N 3.46Å; E183-N185 VanDerWaalsContact O-N 3.13Å; N185-E187 PolarHBondContact O-N 2.75Å; N185-E188 PolarHBondContact O-N 3.16Å | ||
| 186 | E | 45.1 | Very low | 56.3 | Low | 175 Ų | 175 | 117.8 Ų | 117.8 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -9.6 | -151.6 | -64.1 | -176.3 | 144.4 | 0 | 0 | 115.7 | A184 | A184-E186 PolarHBondContact O-N 3.02Š|
| 187 | E | 50.9 | Low | 55.5 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 87% | 0.874 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -22.5 | -175.4 | -62.5 | -171.8 | 158.5 | 0 | 0 | 114.2 | N185 | N185-E187 PolarHBondContact O-N 2.75Š|
| 188 | E | 49.2 | Very low | 54.8 | Low | 123 Ų | 123 | 118.1 Ų | 118.1 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -88.6 | -11.3 | 179.5 | -117.9 | -166.7 | -154.7 | 0 | 0 | 114 | N185 Q190 R192 | N185-E188 PolarHBondContact O-N 3.16Å; E188-Q190 PolarHBondContact O-N 2.96Å; E188-R192 IonicContact OE2-CZ 3.75Å; E188-R192 IonicContact OE2-NE 2.79Å; E188-R192 IonicContact OE2-NH2 3.47Å; E188-R192 PolarHBondContact OE2-NH2 3.17Å |
| 189 | V | 51 | Low | 53.9 | Low | 20 Ų | 20 | 113.6 Ų | 113.6 | 12% | 0.121 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -75.4 | -26.8 | -169.5 | -176 | 0 | 0 | 0 | 0 | 112.8 | A184 R193 | A184-V189 HydrophobicContact CB-CG2 3.44Å; A184-V189 VanDerWaalsContact CB-CG2 3.44Å; A184-V189 WeakPolarHBondContact O-CG2 3.31Å; V189-R193 HydrophobicContact CG1-CG 4.42Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 2.87Å |
| 190 | Q | 46.6 | Very low | 53.1 | Low | 151 Ų | 151 | 115.2 Ų | 115.2 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -37.9 | 179.5 | -75.7 | -99.5 | -11 | 0 | 0 | 112.9 | E188 T194 | E188-Q190 PolarHBondContact O-N 2.96Å; Q190-T194 PolarHBondContact O-OG1 2.93Å |
| 191 | F | 43.1 | Very low | 52.4 | Low | 137 Ų | 137 | 118.5 Ų | 118.5 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78 | -28.1 | -177.3 | -165.9 | -105.8 | 0 | 0 | 0 | 112.8 | T194 K195 | F191-T194 PolarHBondContact O-OG1 3.06Å; F191-K195 HydrophobicContact CE1-CD 4.24Å |
| 192 | R | 50.7 | Low | 52 | Low | 169 Ų | 169 | 120.5 Ų | 120.5 | 64% | 0.638 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.7 | -37.2 | 176 | -64.6 | -166.6 | -175.6 | -150.7 | 5.7 | 112.4 | E188 T194 K195 F196 | E188-R192 IonicContact OE2-CZ 3.75Å; E188-R192 IonicContact OE2-NE 2.79Å; E188-R192 IonicContact OE2-NH2 3.47Å; E188-R192 PolarHBondContact OE2-NH2 3.17Å; R192-T194 PolarHBondContact O-N 2.82Å; R192-K195 PolarHBondContact O-N 3.1Å; R192-F196 PolarHBondContact O-N 2.86Å; R192-F196 VanDerWaalsContact O-N 3.09Å |
| 193 | R | 50.3 | Low | 51.7 | Low | 135 Ų | 135 | 123.4 Ų | 123.4 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.4 | -40.8 | 177.5 | -78.8 | 179.1 | 174.9 | 146.8 | 3.6 | 112.8 | N181 V189 F196 I197 | N181-R193 PolarHBondContact OD1-NH2 3.39Å; V189-R193 HydrophobicContact CG1-CG 4.42Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 2.87Å; R193-F196 PolarHBondContact O-N 3.44Å; R193-I197 WeakPolarHBondContact O-CD1 3.23Å; R193-I197 VanDerWaalsContact O-CG1 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.38Å; R193-I197 PolarHBondContact O-N 3.15Å; R193-I197 VanDerWaalsContact O-N 3.14Å |
| 194 | T | 51.5 | Low | 51.5 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 46% | 0.46 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.9 | -40.4 | 180 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | Q190 F191 R192 F196 I198 | Q190-T194 PolarHBondContact O-OG1 2.93Å; F191-T194 PolarHBondContact O-OG1 3.06Å; R192-T194 PolarHBondContact O-N 2.82Å; T194-F196 PolarHBondContact O-N 3.15Å; T194-I198 WeakPolarHBondContact O-CD1 3.28Å; T194-I198 VanDerWaalsContact O-CG1 3.32Å; T194-I198 WeakPolarHBondContact O-CG1 3.38Å; T194-I198 PolarHBondContact O-N 3.01Å |
| 195 | K | 53.4 | Low | 52 | Low | 120 Ų | 120 | 122.1 Ų | 122.1 | 52% | 0.522 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -35.1 | 173.8 | -82.7 | -176.7 | 178.1 | 174.4 | 0 | 113 | F191 R192 I198 I199 | F191-K195 HydrophobicContact CE1-CD 4.24Å; R192-K195 PolarHBondContact O-N 3.1Å; K195-I198 PolarHBondContact O-N 2.88Å; K195-I199 WeakPolarHBondContact O-CG1 3.48Å; K195-I199 PolarHBondContact O-N 3.3Å; K195-I199 VanDerWaalsContact O-N 3.16Å |
| 196 | F | 48.6 | Very low | 52.5 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.1 | -36.6 | -179.4 | -128.8 | -92.4 | 0 | 0 | 0 | 113.1 | R192 R193 T194 I198 I199 N200 | R192-F196 PolarHBondContact O-N 2.86Å; R192-F196 VanDerWaalsContact O-N 3.09Å; R193-F196 PolarHBondContact O-N 3.44Å; T194-F196 PolarHBondContact O-N 3.15Å; F196-I198 VanDerWaalsContact C-N 3.3Å; F196-I198 PolarHBondContact O-N 3.29Å; F196-I199 PolarHBondContact O-N 3.41Å; F196-N200 PolarHBondContact O-N 3.12Å; F196-N200 VanDerWaalsContact O-N 3.14Å |
| 197 | I | 57.6 | Low | 52.9 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.6 | -39.2 | 174 | -68.6 | 164.7 | 0 | 0 | 0 | 110.4 | R193 N200 L201 | R193-I197 WeakPolarHBondContact O-CD1 3.23Å; R193-I197 VanDerWaalsContact O-CG1 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.38Å; R193-I197 PolarHBondContact O-N 3.15Å; R193-I197 VanDerWaalsContact O-N 3.14Å; I197-N200 PolarHBondContact O-N 2.92Å; I197-L201 WeakPolarHBondContact O-CB 3.37Å; I197-L201 PolarHBondContact O-N 2.85Å |
| 198 | I | 58.7 | Low | 53.1 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 54% | 0.544 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.9 | -65.8 | 166.3 | 0 | 0 | 0 | 111.1 | T194 K195 F196 L201 Q202 | T194-I198 WeakPolarHBondContact O-CD1 3.28Å; T194-I198 VanDerWaalsContact O-CG1 3.32Å; T194-I198 WeakPolarHBondContact O-CG1 3.38Å; T194-I198 PolarHBondContact O-N 3.01Å; K195-I198 PolarHBondContact O-N 2.88Å; F196-I198 VanDerWaalsContact C-N 3.3Å; F196-I198 PolarHBondContact O-N 3.29Å; I198-L201 PolarHBondContact O-N 2.83Å; I198-Q202 VanDerWaalsContact O-CB 3.25Å; I198-Q202 WeakPolarHBondContact O-CB 3.33Å; I198-Q202 PolarHBondContact O-N 3.27Å |
| 199 | I | 58.2 | Low | 52.9 | Low | 98 Ų | 98 | 119 Ų | 119 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 179 | -67.5 | 167.6 | 0 | 0 | 0 | 111.2 | K195 F196 Q202 Y203 | K195-I199 WeakPolarHBondContact O-CG1 3.48Å; K195-I199 PolarHBondContact O-N 3.3Å; K195-I199 VanDerWaalsContact O-N 3.16Å; F196-I199 PolarHBondContact O-N 3.41Å; I199-Q202 PolarHBondContact O-N 2.8Å; I199-Y203 WeakPolarHBondContact O-CB 3.26Å; I199-Y203 PolarHBondContact O-N 3.22Å |
| 200 | N | 57.2 | Low | 52.8 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 177 | -93.6 | -49.2 | 0 | 0 | 0 | 112.8 | F196 I197 Q202 Y203 F204 | F196-N200 PolarHBondContact O-N 3.12Å; F196-N200 VanDerWaalsContact O-N 3.14Å; I197-N200 PolarHBondContact O-N 2.92Å; N200-Q202 VanDerWaalsContact C-N 3.34Å; N200-Y203 PolarHBondContact O-N 3.34Å; N200-F204 WeakPolarHBondContact O-CB 3.44Å; N200-F204 PolarHBondContact O-N 3.24Å |
| 201 | L | 56.4 | Low | 52.8 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.3 | -34.8 | 176.1 | -151.7 | 76.5 | 0 | 0 | 0 | 111.6 | I197 I198 A205 | I197-L201 WeakPolarHBondContact O-CB 3.37Å; I197-L201 PolarHBondContact O-N 2.85Å; I198-L201 PolarHBondContact O-N 2.83Å; L201-A205 WeakPolarHBondContact O-CB 3.45Å; L201-A205 PolarHBondContact O-N 3.23Å |
| 202 | Q | 56.6 | Low | 52.9 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 55% | 0.547 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.9 | -41.6 | 173.9 | -164.5 | 91 | 6 | 0 | 0 | 111.1 | I198 I199 N200 A205 C206 | I198-Q202 VanDerWaalsContact O-CB 3.25Å; I198-Q202 WeakPolarHBondContact O-CB 3.33Å; I198-Q202 PolarHBondContact O-N 3.27Å; I199-Q202 PolarHBondContact O-N 2.8Å; N200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-A205 PolarHBondContact O-N 3.39Å; Q202-C206 WeakPolarHBondContact O-CB 3.29Å; Q202-C206 PolarHBondContact O-N 3.07Å; Q202-C206 PolarHBondContact O-SG 3.02Å |
| 203 | Y | 53.8 | Low | 52.5 | Low | 173 Ų | 173 | 122.4 Ų | 122.4 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.1 | -40.2 | 177.2 | -127.4 | -90.8 | 0 | 0 | 0 | 111.7 | I199 N200 R207 | I199-Y203 WeakPolarHBondContact O-CB 3.26Å; I199-Y203 PolarHBondContact O-N 3.22Å; N200-Y203 PolarHBondContact O-N 3.34Å; Y203-R207 PolarHBondContact O-N 3.25Å |
| 204 | F | 55.1 | Low | 52 | Low | 148 Ų | 148 | 125.4 Ų | 125.4 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.3 | -40.9 | 176.1 | -156.9 | -95.8 | 0 | 0 | 0 | 112.2 | N200 C206 R207 L208 | N200-F204 WeakPolarHBondContact O-CB 3.44Å; N200-F204 PolarHBondContact O-N 3.24Å; F204-C206 VanDerWaalsContact C-N 3.33Å; F204-C206 PolarHBondContact O-N 3.06Å; F204-R207 PolarHBondContact O-N 3.29Å; F204-L208 HydrophobicContact CD1-CD1 3.88Å; F204-L208 HydrophobicContact CE1-CD1 3.65Å; F204-L208 PolarHBondContact O-N 3.39Å |
| 205 | A | 55 | Low | 51.7 | Low | 29 Ų | 29 | 131.6 Ų | 131.6 | 24% | 0.24 | 64% | 0.635 | C | S | . | * | H | α-helix | trans | -69.6 | -27.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L201 Q202 R209 | L201-A205 WeakPolarHBondContact O-CB 3.45Å; L201-A205 PolarHBondContact O-N 3.23Å; Q202-A205 PolarHBondContact O-N 3.39Å; A205-R209 WeakPolarHBondContact O-CB 3.46Å; A205-R209 WeakPolarHBondContact O-CG 3.38Å |
| 206 | C | 54.2 | Low | 50.9 | Low | 78 Ų | 78 | 130.7 Ų | 130.7 | 53% | 0.527 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -71.7 | -33.2 | 171.9 | -80.1 | 0 | 0 | 0 | 0 | 112.1 | Q202 F204 L208 R209 | Q202-C206 WeakPolarHBondContact O-CB 3.29Å; Q202-C206 PolarHBondContact O-N 3.07Å; Q202-C206 PolarHBondContact O-SG 3.02Å; F204-C206 VanDerWaalsContact C-N 3.33Å; F204-C206 PolarHBondContact O-N 3.06Å; C206-L208 VanDerWaalsContact C-N 3.32Å; C206-L208 PolarHBondContact O-N 3.49Å; C206-R209 PolarHBondContact O-N 2.77Å |
| 207 | R | 53.3 | Low | 50.6 | Low | 194 Ų | 194 | 132.2 Ų | 132.2 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.2 | -24.5 | 178.9 | -145.2 | 173.2 | -166.3 | -172.6 | -0.7 | 113.2 | E163 Y203 F204 | E163-R207 IonicContact OE1-NH2 3.82Å; E163-R207 PolarHBondContact OE1-NH2 2.88Å; E163-R207 VanDerWaalsContact OE1-NH2 3.1Å; Y203-R207 PolarHBondContact O-N 3.25Å; F204-R207 PolarHBondContact O-N 3.29Å |
| 208 | L | 53.8 | Low | 49.7 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -9.2 | 176.4 | -78.8 | 160.5 | 0 | 0 | 0 | 114.5 | F204 C206 | F204-L208 HydrophobicContact CD1-CD1 3.88Å; F204-L208 HydrophobicContact CE1-CD1 3.65Å; F204-L208 PolarHBondContact O-N 3.39Å; C206-L208 VanDerWaalsContact C-N 3.32Å; C206-L208 PolarHBondContact O-N 3.49Å |
| 209 | R | 46.7 | Very low | 48.8 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | trans | -95.9 | 13.3 | -171.6 | -88.3 | -178 | -176.4 | 137.2 | 0.9 | 116 | A205 C206 N211 | A205-R209 WeakPolarHBondContact O-CB 3.46Å; A205-R209 WeakPolarHBondContact O-CG 3.38Å; C206-R209 PolarHBondContact O-N 2.77Å; R209-N211 PolarHBondContact O-N 3.01Å | ||
| 210 | V | 49.1 | Very low | 47.7 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -72.1 | -11.9 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 211 | N | 44.8 | Very low | 46.8 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -129.9 | 69.3 | 178.7 | -74.1 | -34 | 0 | 0 | 0 | 113.6 | R209 | R209-N211 PolarHBondContact O-N 3.01Š|
| 212 | Q | 46.7 | Very low | 45.9 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -151.8 | 124.4 | 158.9 | -77.6 | -59.9 | -26 | 0 | 0 | 110.9 | K214 | Q212-K214 PolarHBondContact O-N 3.34Š| ||
| 213 | P | 41.7 | Very low | 45.1 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -74.8 | 117.9 | 176.6 | 29.9 | -31.1 | 0 | 0 | 0 | 110.5 | K215 | P213-K215 PolarHBondContact O-N 3.02Š| ||
| 214 | K | 40.4 | Very low | 44.4 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -75.3 | 111.8 | 176.2 | -70.6 | -178.5 | -179.8 | 173.6 | 0 | 110.8 | Q212 | Q212-K214 PolarHBondContact O-N 3.34Š| ||
| 215 | K | 45 | Very low | 43.6 | Very low | 206 Ų | 206 | 153 Ų | 153 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 124.9 | 159.4 | -73.6 | -175.8 | 177.6 | 176.9 | 0 | 109.5 | P213 | P213-K215 PolarHBondContact O-N 3.02Š| ||
| 216 | A | 35.8 | Very low | 43.1 | Very low | 100 Ų | 100 | 163.7 Ų | 163.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 133.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 217 | T | 42.6 | Very low | 42.2 | Very low | 147 Ų | 147 | 169.4 Ų | 169.4 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -137.9 | 134.4 | 155.9 | 43.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 218 | K | 38.1 | Very low | 41.5 | Very low | 200 Ų | 200 | 168.1 Ų | 168.1 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | -77.1 | 149.6 | -171.3 | -63.8 | 168.1 | 174.4 | 173.4 | 0 | 111.8 | ||||
| 219 | R | 39.4 | Very low | 40.9 | Very low | 238 Ų | 238 | 168.1 Ų | 168.1 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | 174 | 117.1 | 128.1 | -95.3 | 164.4 | 161.7 | -160.9 | -7.8 | 114.3 | |||||
| 220 | S | 36.4 | Very low | 40.4 | Very low | 108 Ų | 108 | 169.5 Ų | 169.5 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | 14.1 | 153.4 | 134.3 | 56.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 221 | R | 37.3 | Very low | 39.7 | Very low | 242 Ų | 242 | 173 Ų | 173 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | cis | 172.6 | 161.2 | 7.8 | 162.9 | 179.2 | 178.7 | 163 | -0.2 | 106.9 | ||||
| 222 | A | 39.1 | Very low | 39.6 | Very low | 87 Ų | 87 | 175.4 Ų | 175.4 | 72% | 0.719 | 83% | 0.833 | S | S | * | * | trans | 88.2 | 140.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 223 | E | 40 | Very low | 39.1 | Very low | 188 Ų | 188 | 172.5 Ų | 172.5 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | cis | -160.9 | -175.4 | 21.6 | -153.8 | 154.6 | -177.4 | 0 | 0 | 112.7 | ||||
| 224 | K | 38.8 | Very low | 38.9 | Very low | 170 Ų | 170 | 176.7 Ų | 176.7 | 74% | 0.739 | 84% | 0.842 | S | S | * | * | trans | -108.4 | 154 | -147.1 | -93.1 | 169.8 | 175.4 | 166 | 0 | 116 | ||||
| 225 | K | 38.3 | Very low | 38.9 | Very low | 185 Ų | 185 | 174.6 Ų | 174.6 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | 64.7 | 127 | 133.4 | -69.9 | 179 | 177.2 | -170.9 | 0 | 122 | ||||
| 226 | R | 43.8 | Very low | 38.7 | Very low | 254 Ų | 254 | 173.7 Ų | 173.7 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | -158.1 | 132.5 | 126.3 | -131.5 | 170.5 | 155.3 | -168.8 | -7.8 | 111.7 | |||||
| 227 | K | 34.9 | Very low | 38.9 | Very low | 197 Ų | 197 | 177 Ų | 177 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -106.6 | 158.4 | 177.8 | -84.3 | -178.1 | 171.2 | -176.6 | 0 | 109.4 | ||||
| 228 | E | 38.9 | Very low | 38.9 | Very low | 167 Ų | 167 | 178 Ų | 178 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | 129.4 | 148.3 | 123.6 | -153.4 | 161.8 | -179.2 | 0 | 0 | 117.6 | |||||
| 229 | L | 40.8 | Very low | 38.9 | Very low | 132 Ų | 132 | 176.7 Ų | 176.7 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 92.7 | 132.6 | 165.3 | -49.3 | 167.5 | 0 | 0 | 0 | 115.3 | ||||
| 230 | K | 37.5 | Very low | 38.9 | Very low | 193 Ų | 193 | 172.7 Ų | 172.7 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | cis | -166.6 | 159 | 2.6 | -116.5 | 167.6 | 176.1 | 173.3 | 0 | 109.2 | ||||
| 231 | K | 32.9 | Very low | 39 | Very low | 196 Ų | 196 | 172.1 Ų | 172.1 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -82.9 | 165.5 | -177.8 | -63.8 | 169.6 | 173.5 | 175.9 | 0 | 113.6 | ||||
| 232 | Q | 42.9 | Very low | 39 | Very low | 194 Ų | 194 | 167.4 Ų | 167.4 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | 140.7 | 140.5 | 144 | -77.5 | 170.1 | 33.8 | 0 | 0 | 109.2 | ||||
| 233 | A | 37.3 | Very low | 38.9 | Very low | 100 Ų | 100 | 171.5 Ų | 171.5 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | cis | -157 | 159.2 | 14.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 234 | K | 35.8 | Very low | 39.1 | Very low | 209 Ų | 209 | 171.5 Ų | 171.5 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -101.2 | 137.7 | 171.8 | -84.6 | 179.2 | 171.7 | -179.9 | 0 | 110.3 | ||||
| 235 | I | 42.3 | Very low | 39.2 | Very low | 153 Ų | 153 | 171.1 Ų | 171.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -145.2 | 107.7 | 156.6 | -68.3 | -173.4 | 0 | 0 | 0 | 105.8 | ||||
| 236 | R | 39.7 | Very low | 39.3 | Very low | 188 Ų | 188 | 170.2 Ų | 170.2 | 71% | 0.709 | 81% | 0.814 | S | S | * | * | 56.8 | 139.5 | 104.6 | -62.9 | 177 | 117.3 | -170.4 | 6.8 | 112.8 | |||||
| 237 | R | 39.9 | Very low | 39.2 | Very low | 169 Ų | 169 | 166.1 Ų | 166.1 | 64% | 0.638 | 81% | 0.809 | S | S | * | * | cis | 179.5 | 154.9 | 3.6 | -112.7 | 176.3 | 176 | -174.4 | -4.5 | 105.6 | ||||
| 238 | Q | 43.1 | Very low | 39.7 | Very low | 167 Ų | 167 | 161.7 Ų | 161.7 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | 68.7 | 151.4 | 151.7 | -68.5 | 163.5 | -16.2 | 0 | 0 | 115.7 | ||||
| 239 | K | 38.4 | Very low | 39.9 | Very low | 174 Ų | 174 | 159.6 Ų | 159.6 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | cis | 169.4 | 129 | -13.8 | 173.2 | -169.3 | 175.3 | -172.7 | 0 | 99.5 | ||||
| 240 | D | 39.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 157 Ų | 157 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 174.8 | 140.1 | 136 | -80.8 | -23.7 | 0 | 0 | 0 | 109.5 | ||||
| 241 | A | 38.4 | Very low | 40.5 | Very low | 96 Ų | 96 | 156.1 Ų | 156.1 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -104.6 | 141.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 242 | N | 36.6 | Very low | 41.2 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -162.4 | 101 | 155.1 | -135.6 | 33.8 | 0 | 0 | 0 | 103.6 | ||||
| 243 | E | 38 | Very low | 42.1 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | 56.6 | 91.9 | 78.2 | -156.5 | 165.5 | -139 | 0 | 0 | 110.5 | |||||
| 244 | E | 43.1 | Very low | 42.6 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 159.8 | 73.6 | 157.3 | -88.6 | 172.6 | -142.2 | 0 | 0 | 108.7 | ||||
| 245 | D | 41.5 | Very low | 43.6 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -140.7 | 66.8 | 166.2 | -144.2 | 6.2 | 0 | 0 | 0 | 108.6 | ||||
| 246 | L | 39.9 | Very low | 44.4 | Very low | 166 Ų | 166 | 147 Ų | 147 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -144.1 | 63.9 | 177.4 | -84.2 | 173.3 | 0 | 0 | 0 | 108.2 | ||||
| 247 | I | 42.1 | Very low | 45.2 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | trans | -168.4 | 94.6 | 153.2 | -72.3 | 117.6 | 0 | 0 | 0 | 106.5 | ||||
| 248 | A | 45.9 | Very low | 45.8 | Very low | 104 Ų | 104 | 148 Ų | 148 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | 178.7 | 50.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 249 | S | 42.9 | Very low | 46.8 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -129.9 | 75 | 169.7 | 59.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 250 | A | 45.8 | Very low | 48.2 | Very low | 78 Ų | 78 | 145.5 Ų | 145.5 | 65% | 0.645 | 82% | 0.817 | S | S | * | * | trans | -161.6 | 143 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 251 | E | 45.6 | Very low | 49.5 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | 62.3 | 98.3 | 174.3 | -80.4 | 85.5 | -141.4 | 0 | 0 | 116 | ||||
| 252 | S | 46.9 | Very low | 50.9 | Low | 118 Ų | 118 | 147.9 Ų | 147.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | cis | 54.2 | 92.9 | 49.3 | -155.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 253 | D | 60.8 | Low | 52.4 | Low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -150.1 | 81.4 | 165.5 | -170 | 32.2 | 0 | 0 | 0 | 105.9 | ||||
| 254 | D | 49.5 | Very low | 53.2 | Low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 60.8 | 114.3 | 79.7 | -153.1 | 30.2 | 0 | 0 | 0 | 110.8 | |||||
| 255 | G | 55.7 | Low | 53.7 | Low | 63 Ų | 63 | 150.1 Ų | 150.1 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | cis | 170.9 | 118.5 | 5 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 256 | D | 58.4 | Low | 54 | Low | 171 Ų | 171 | 147.4 Ų | 147.4 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -148.1 | 43.8 | -177 | -143.5 | 10.9 | 0 | 0 | 0 | 112.7 | ||||
| 257 | E | 57.7 | Low | 54.3 | Low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -116.8 | 50.4 | 172.6 | -157.6 | 169 | -164.7 | 0 | 0 | 111.4 | ||||
| 258 | E | 52.8 | Low | 54.2 | Low | 199 Ų | 199 | 144.5 Ų | 144.5 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -114.8 | 89.6 | 165.5 | -80.5 | -163.3 | 157.5 | 0 | 0 | 110.1 | ||||
| 259 | G | 63.8 | Low | 54.3 | Low | 65 Ų | 65 | 147.9 Ų | 147.9 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -177.8 | -5.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | E261 | G259-E261 VanDerWaalsContact C-N 3.34Å; G259-E261 PolarHBondContact O-N 3.24Å; G259-E261 VanDerWaalsContact O-N 3.08Å | ||
| 260 | R | 68.6 | Low | 53.9 | Low | 223 Ų | 223 | 147.3 Ų | 147.3 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -83.3 | 82.7 | 170.2 | -88 | -172.7 | -168.8 | 153.9 | 8.1 | 110.4 | I262 | R260-I262 PolarHBondContact O-N 3.48Å; R260-I262 VanDerWaalsContact O-N 3.15Å | ||
| 261 | E | 65.9 | Low | 53.8 | Low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -61.8 | 111.6 | 164.3 | -54.2 | -175.1 | -153.7 | 0 | 0 | 108.5 | G259 | G259-E261 VanDerWaalsContact C-N 3.34Å; G259-E261 PolarHBondContact O-N 3.24Å; G259-E261 VanDerWaalsContact O-N 3.08Å | ||
| 262 | I | 67.8 | Low | 53.5 | Low | 116 Ų | 116 | 146.9 Ų | 146.9 | 60% | 0.595 | 79% | 0.791 | S | S | * | * | trans | -85.6 | 120.5 | 170.3 | -65.6 | 163.8 | 0 | 0 | 0 | 106.1 | R260 Y264 | R260-I262 PolarHBondContact O-N 3.48Å; R260-I262 VanDerWaalsContact O-N 3.15Å; I262-Y264 HydrophobicContact CB-CE2 4.05Å; I262-Y264 HydrophobicContact CG2-CE2 4.23Å; I262-Y264 WeakPolarHBondContact O-CD2 3.3Å; I262-Y264 PolarHBondContact O-N 3.36Å | ||
| 263 | D | 67.6 | Low | 53.6 | Low | 161 Ų | 161 | 151.1 Ų | 151.1 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 97.3 | 175.4 | -81.2 | -39 | 0 | 0 | 0 | 110.3 | M265 | D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M265 PolarHBondContact O-N 3.06Å; D263-M265 VanDerWaalsContact O-N 3.08Å | ||
| 264 | Y | 55.4 | Low | 52.8 | Low | 202 Ų | 202 | 152.6 Ų | 152.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -79 | 81.6 | 170.3 | -70.1 | -87.4 | 0 | 0 | 0 | 109.9 | I262 | I262-Y264 HydrophobicContact CB-CE2 4.05Å; I262-Y264 HydrophobicContact CG2-CE2 4.23Å; I262-Y264 WeakPolarHBondContact O-CD2 3.3Å; I262-Y264 PolarHBondContact O-N 3.36Å | ||
| 265 | M | 52.6 | Low | 52 | Low | 187 Ų | 187 | 150.8 Ų | 150.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -128.5 | 72.9 | 163.2 | -73.9 | -166.9 | 154.8 | 0 | 0 | 109.8 | D263 | D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M265 PolarHBondContact O-N 3.06Å; D263-M265 VanDerWaalsContact O-N 3.08Å | ||
| 266 | S | 49.2 | Very low | 51.1 | Low | 105 Ų | 105 | 152.8 Ų | 152.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -164.9 | 72 | 156.7 | -152.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 267 | D | 45.6 | Very low | 50.1 | Low | 166 Ų | 166 | 152.1 Ų | 152.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -107 | 103.1 | 154 | -77.4 | -29 | 0 | 0 | 0 | 105.1 | ||||
| 268 | T | 40.2 | Very low | 49.3 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | 57.7 | 82.2 | 78.2 | -55 | 0 | 0 | 0 | 0 | 112.5 | T270 | T268-T270 PolarHBondContact O-N 3.4Š| |||
| 269 | D | 46.5 | Very low | 48.5 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -58.9 | 122.8 | 154.7 | -84 | -39.8 | 0 | 0 | 0 | 109.3 | ||||
| 270 | T | 36.3 | Very low | 47.2 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -122.3 | 120.1 | 167.7 | -52.3 | 0 | 0 | 0 | 0 | 107 | T268 | T268-T270 PolarHBondContact O-N 3.4Š| ||
| 271 | D | 42.6 | Very low | 45.8 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -158.8 | 136.6 | 129.7 | -129.1 | -6.6 | 0 | 0 | 0 | 115.5 | |||||
| 272 | V | 39.8 | Very low | 44.6 | Very low | 95 Ų | 95 | 151 Ų | 151 | 58% | 0.576 | 79% | 0.789 | S | S | * | * | trans | 45.3 | 110.3 | 157 | -155.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 273 | Y | 48.9 | Very low | 43 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | -179.1 | 116.5 | 111.7 | -103.2 | -78.4 | 0 | 0 | 0 | 112.1 | |||||
| 274 | K | 42.9 | Very low | 41.7 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | 75.3 | 124.8 | 149.6 | -90.4 | 175.9 | 177.1 | 177.1 | 0 | 121.4 | ||||
| 275 | P | 34.2 | Very low | 40.9 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -90.5 | 153.6 | 173.6 | 38 | -32.1 | 0 | 0 | 0 | 111.3 | ||||
| 276 | S | 35.3 | Very low | 40.2 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 150.1 | 137.2 | 139.5 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 277 | L | 38.4 | Very low | 39.7 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 97.3 | 155.9 | -60.5 | 159.5 | 0 | 0 | 0 | 116.8 | ||||
| 278 | R | 41.3 | Very low | 39.2 | Very low | 249 Ų | 249 | 155 Ų | 155 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | -179 | 112.4 | 105.8 | -95.6 | 168 | -173 | -175.1 | 3.3 | 112.4 | |||||
| 279 | V | 36.3 | Very low | 38.8 | Very low | 136 Ų | 136 | 160.7 Ų | 160.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 145.5 | 159.3 | 168.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 280 | S | 34.9 | Very low | 38.3 | Very low | 100 Ų | 100 | 157.8 Ų | 157.8 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | 63.4 | 100.4 | 158.6 | 76.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 281 | M | 39.6 | Very low | 38.6 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -178.6 | 124.1 | 139 | -103.5 | -173.5 | -98.2 | 0 | 0 | 103.4 | ||||
| 282 | L | 41.4 | Very low | 38.5 | Very low | 161 Ų | 161 | 161.4 Ų | 161.4 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | cis | -164 | 136.2 | 43.5 | -148.4 | 66 | 0 | 0 | 0 | 108.5 | ||||
| 283 | R | 34.6 | Very low | 38.5 | Very low | 231 Ų | 231 | 162.1 Ų | 162.1 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -73.7 | 162.9 | -179.7 | -161 | 177.1 | -150.6 | 161.2 | 4 | 110.8 | ||||
| 284 | S | 39.9 | Very low | 38 | Very low | 102 Ų | 102 | 160 Ų | 160 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | 80.3 | 90.7 | 151 | 48.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 285 | V | 38.3 | Very low | 37.8 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | -128 | 109.8 | 126.1 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 286 | K | 37.9 | Very low | 38.1 | Very low | 194 Ų | 194 | 164.1 Ų | 164.1 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -70.3 | 126.4 | 170.4 | -83.4 | 170 | 172.2 | 167.5 | 0 | 109.2 | ||||
| 287 | I | 39.5 | Very low | 38 | Very low | 163 Ų | 163 | 168.5 Ų | 168.5 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -131.4 | 138 | 146.1 | -60.1 | -177.2 | 0 | 0 | 0 | 107.6 | ||||
| 288 | F | 33.7 | Very low | 37.9 | Very low | 191 Ų | 191 | 165.9 Ų | 165.9 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -56.8 | 132.2 | -158 | -94.4 | -116.2 | 0 | 0 | 0 | 116.3 | ||||
| 289 | R | 31.7 | Very low | 37.9 | Very low | 226 Ų | 226 | 162.9 Ų | 162.9 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -68.5 | 138.7 | 141.3 | -78.2 | 177.2 | 164.4 | 132.9 | -3.3 | 108.6 | ||||
| 290 | S | 37.5 | Very low | 37.9 | Very low | 114 Ų | 114 | 165.5 Ų | 165.5 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -169.1 | 111 | 139 | -96.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 291 | D | 42.1 | Very low | 38.4 | Very low | 152 Ų | 152 | 169.2 Ų | 169.2 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | trans | -60.9 | 153.6 | 171.6 | -57.8 | -61.2 | 0 | 0 | 0 | 112.5 | ||||
| 292 | E | 40.6 | Very low | 38.4 | Very low | 183 Ų | 183 | 168.3 Ų | 168.3 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -15.3 | 147.6 | 156.9 | -94.6 | -163.3 | 160.6 | 0 | 0 | 117.5 | ||||
| 293 | P | 40.1 | Very low | 38.4 | Very low | 110 Ų | 110 | 163.8 Ų | 163.8 | 71% | 0.714 | 83% | 0.829 | S | S | * | * | -150.8 | 170.4 | 84.4 | 37.4 | -17 | 0 | 0 | 0 | 117 | |||||
| 294 | E | 37.5 | Very low | 38.8 | Very low | 163 Ų | 163 | 159 Ų | 159 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | 94.5 | 95 | 156.9 | -49.6 | -169.5 | 169.2 | 0 | 0 | 116.1 | ||||
| 295 | K | 38.4 | Very low | 39.2 | Very low | 195 Ų | 195 | 161.3 Ų | 161.3 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | 46 | 105.1 | 90.5 | -72 | -173.2 | 177.9 | -177.4 | 0 | 113.9 | |||||
| 296 | K | 40.3 | Very low | 39.8 | Very low | 195 Ų | 195 | 162.6 Ų | 162.6 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | 168.1 | 148.1 | 128.5 | -89.3 | 153.1 | -171.2 | 173.5 | 0 | 109.1 | |||||
| 297 | Q | 33.9 | Very low | 40.7 | Very low | 197 Ų | 197 | 161.4 Ų | 161.4 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | 93.5 | 55 | 173.3 | -49.6 | 179.9 | 0.1 | 0 | 0 | 115.6 | ||||
| 298 | A | 36.8 | Very low | 41.5 | Very low | 102 Ų | 102 | 161.3 Ų | 161.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -137.3 | 67.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 299 | E | 40.7 | Very low | 42.6 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -161.1 | 80.5 | 173.5 | -107.7 | 172.6 | -162.1 | 0 | 0 | 105.7 | ||||
| 300 | Q | 37.4 | Very low | 43.8 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 179.2 | 66.4 | 165.4 | -103.3 | 167.2 | 58.8 | 0 | 0 | 107.9 | ||||
| 301 | L | 43.6 | Very low | 44.9 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | -141 | 108.7 | 152.2 | -102.4 | 149.6 | 0 | 0 | 0 | 105.3 | G303 | L301-G303 PolarHBondContact O-N 3.11Š| ||
| 302 | I | 40.9 | Very low | 45.8 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -60 | 109.5 | -177.9 | -70.8 | 154.5 | 0 | 0 | 0 | 107.1 | V304 | I302-V304 PolarHBondContact O-N 3.41Š| ||
| 303 | G | 40.4 | Very low | 46.7 | Very low | 66 Ų | 66 | 151 Ų | 151 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -69.8 | 122.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | L301 D305 | L301-G303 PolarHBondContact O-N 3.11Å; G303-D305 PolarHBondContact O-N 3.17Å; G303-D305 VanDerWaalsContact O-N 3.11Å | ||
| 304 | V | 44 | Very low | 47.6 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 91.7 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | I302 | I302-V304 PolarHBondContact O-N 3.41Š| ||
| 305 | D | 47.2 | Very low | 48.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -128.4 | 25.6 | 175.6 | -151.2 | 13.9 | 0 | 0 | 0 | 112.4 | G303 | G303-D305 PolarHBondContact O-N 3.17Å; G303-D305 VanDerWaalsContact O-N 3.11Å | ||
| 306 | E | 51.4 | Low | 48.6 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -110.7 | 57.3 | 168.1 | -71.6 | -176.3 | 177.2 | 0 | 0 | 110.2 | I308 | E306-I308 PolarHBondContact O-N 2.66Š| ||
| 307 | E | 56.4 | Low | 48.8 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -10.4 | 174 | -169.5 | 171.2 | 168 | 0 | 0 | 112.8 | ||
| 308 | I | 57.3 | Low | 49.1 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -19.5 | -176.3 | -61.3 | 169.3 | 0 | 0 | 0 | 112.4 | E306 | E306-I308 PolarHBondContact O-N 2.66Š|
| 309 | G | 55.5 | Low | 49.5 | Very low | 49 Ų | 49 | 144.2 Ų | 144.2 | 51% | 0.505 | 78% | 0.777 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | -33.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R311 | G309-R311 PolarHBondContact O-N 3.35Š|
| 310 | M | 58 | Low | 49.8 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -11.9 | -175.7 | -64.7 | -160.6 | -64.1 | 0 | 0 | 114.1 | ||
| 311 | R | 60.4 | Low | 49.9 | Very low | 225 Ų | 225 | 142.3 Ų | 142.3 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -18.1 | 177.2 | -150.6 | 173.4 | -173.1 | -136.5 | 0.6 | 113.2 | G309 | G309-R311 PolarHBondContact O-N 3.35Š|
| 312 | A | 60.2 | Low | 49.7 | Very low | 77 Ų | 77 | 141.9 Ų | 141.9 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -83.5 | -20.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 313 | L | 60.6 | Low | 49.7 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -4.8 | -174.9 | -128.3 | 92 | 0 | 0 | 0 | 114.9 | ||
| 314 | I | 58.7 | Low | 49.7 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -4.1 | -179.8 | -69.5 | 171.8 | 0 | 0 | 0 | 111.6 | ||
| 315 | G | 50.9 | Low | 49.4 | Very low | 68 Ų | 68 | 148.9 Ų | 148.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -111.2 | 3.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 316 | S | 45.2 | Very low | 49.4 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -161.2 | 87.6 | -172.3 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 317 | D | 46.3 | Very low | 48.9 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 168.7 | 130.2 | 156.9 | -110.1 | 9.8 | 0 | 0 | 0 | 105.7 | ||||
| 318 | E | 38.4 | Very low | 48.6 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | -167.9 | 142 | 0.3 | -126.8 | 170.4 | 175 | 0 | 0 | 103.4 | ||||
| 319 | E | 46.6 | Very low | 48.1 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -80.2 | 168.2 | 175 | -63 | 178.2 | 145.9 | 0 | 0 | 110.6 | ||||
| 320 | E | 45.6 | Very low | 47.5 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 78.5 | 133.6 | 161 | -66.8 | 174.8 | 178.4 | 0 | 0 | 115.8 | ||||
| 321 | E | 40.7 | Very low | 46.7 | Very low | 168 Ų | 168 | 154 Ų | 154 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | cis | -164.1 | 129 | 22.3 | -102.6 | 160.4 | 179.3 | 0 | 0 | 106.6 | ||||
| 322 | E | 40.2 | Very low | 45.9 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | 61 | 119.9 | 99.8 | -86 | -172.5 | -178.8 | 0 | 0 | 120.2 | |||||
| 323 | E | 39.3 | Very low | 45.1 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | 60.4 | 122 | 140.5 | -62.1 | -173.5 | 165.4 | 0 | 0 | 122.8 | ||||
| 324 | N | 41.5 | Very low | 44.3 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | -177 | 126.4 | 112.5 | -91.6 | -58.8 | 0 | 0 | 0 | 111.6 | |||||
| 325 | E | 37.4 | Very low | 43.6 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -82.6 | 150.3 | 171.2 | -61.5 | 177.8 | 155 | 0 | 0 | 110.7 | ||||
| 326 | E | 47.1 | Very low | 43.1 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -175.2 | 150.4 | 134.4 | -107.9 | 178.8 | -173.3 | 0 | 0 | 112.6 | ||||
| 327 | D | 41.4 | Very low | 42.9 | Very low | 141 Ų | 141 | 159.6 Ų | 159.6 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -74 | 161.6 | -158.2 | -62 | -59 | 0 | 0 | 0 | 116.6 | ||||
| 328 | N | 48.9 | Very low | 42.6 | Very low | 166 Ų | 166 | 160.2 Ų | 160.2 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | -174.3 | 134.5 | 118 | -94.5 | -60.9 | 0 | 0 | 0 | 112.9 | |||||
| 329 | E | 46.8 | Very low | 42.6 | Very low | 186 Ų | 186 | 160 Ų | 160 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -63.7 | 149 | -174.5 | -56.6 | 180 | 141.1 | 0 | 0 | 115 | ||||
| 330 | A | 44.4 | Very low | 42.1 | Very low | 99 Ų | 99 | 154.9 Ų | 154.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | 169 | 122.5 | 111.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 331 | D | 40.8 | Very low | 42 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | 80.7 | 116.4 | 146.3 | -139.9 | 23.8 | 0 | 0 | 0 | 121.1 | ||||
| 332 | P | 42.6 | Very low | 42.1 | Very low | 100 Ų | 100 | 154.5 Ų | 154.5 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -103.1 | 162.7 | -167.3 | 39.7 | -29.7 | 0 | 0 | 0 | 113.3 | ||||
| 333 | T | 44.2 | Very low | 42 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -178.9 | 132.2 | 134 | 26.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 334 | R | 44.3 | Very low | 42 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | 87.7 | 89.3 | 166.5 | -53.2 | 174.5 | -176.5 | -165.7 | 0.1 | 117.8 | ||||
| 335 | K | 43.3 | Very low | 41.9 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | 170.9 | 110 | 123.7 | -93.5 | 166.5 | -172.5 | 178.9 | 0 | 109.5 | |||||
| 336 | S | 40.8 | Very low | 41.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -85 | 115.7 | 161.7 | 53.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 337 | T | 40.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 150.3 | 174.7 | -42.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 338 | L | 41.1 | Very low | 41.7 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 26.8 | 131.4 | 145.6 | -92.4 | 148.5 | 0 | 0 | 0 | 120.3 | ||||
| 339 | N | 38 | Very low | 41.4 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -179 | 139.2 | 139.3 | -83 | -16.3 | 0 | 0 | 0 | 106.4 | ||||
| 340 | G | 36.2 | Very low | 41.1 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | -139.1 | 162 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 341 | M | 42.9 | Very low | 40.9 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | 69.4 | 133 | 57.8 | 164.4 | 69.1 | 162.8 | 0 | 0 | 111.9 | |||||
| 342 | E | 42.1 | Very low | 41.1 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 91 | 95.9 | 177.2 | -44.5 | -168.7 | -173.5 | 0 | 0 | 115.7 | ||||
| 343 | A | 39.5 | Very low | 41.1 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | 69 | 109.7 | 75.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 344 | F | 39.5 | Very low | 41.2 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | -178.4 | 145.2 | 115.4 | 79.4 | -77.7 | 0 | 0 | 0 | 110.5 | |||||
| 345 | A | 37.9 | Very low | 41.3 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -104.5 | 153.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 346 | S | 38.2 | Very low | 41.6 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 79.4 | 142.1 | 152.6 | -169.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 347 | T | 42.4 | Very low | 41.9 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | 76.9 | 97.7 | 153.1 | 16.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 348 | A | 41.4 | Very low | 42.1 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | 88.1 | 132.1 | 81.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 349 | D | 42 | Very low | 42.2 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 94.4 | 136.2 | 141.5 | -140.2 | 5.6 | 0 | 0 | 0 | 119.7 | ||||
| 350 | F | 41.7 | Very low | 42.7 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 135.4 | 172.2 | -63.4 | -80.5 | 0 | 0 | 0 | 117.8 | ||||
| 351 | G | 40.5 | Very low | 43.1 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | 160.5 | 161.5 | 15.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 352 | P | 43.8 | Very low | 43.2 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 93% | 0.929 | 77% | 0.774 | S | S | * | * | trans | -105.3 | 173.8 | -149.9 | 39.8 | -33.6 | 0 | 0 | 0 | 115.7 | ||||
| 353 | G | 42.4 | Very low | 43.5 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | 147.5 | 148.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 354 | D | 46.9 | Very low | 43.7 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | cis | -162.4 | 154.4 | -11.7 | -106.6 | -41.1 | 0 | 0 | 0 | 105.4 | ||||
| 355 | E | 46.9 | Very low | 44.1 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -64.4 | 173 | -175.8 | -60.2 | -100.7 | 138.9 | 0 | 0 | 114.3 | ||||
| 356 | P | 49.6 | Very low | 44.5 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | -145.5 | 140.9 | 87.1 | 19.8 | 4.7 | 0 | 0 | 0 | 118 | |||||
| 357 | E | 46.1 | Very low | 44.9 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | 43 | 123.1 | 138.3 | -23 | -61 | 130.2 | 0 | 0 | 122.2 | ||||
| 358 | S | 45.4 | Very low | 45.3 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 174.8 | 91.6 | 117.2 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 359 | E | 43.9 | Very low | 45.5 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 36.4 | 113.7 | 125.5 | -50.1 | 175 | -153.1 | 0 | 0 | 120.6 | |||||
| 360 | S | 47.7 | Very low | 46.2 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | -173.1 | 114.6 | 127.8 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 361 | D | 43.9 | Very low | 46.4 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 148.7 | 178.1 | -71.9 | -66.6 | 0 | 0 | 0 | 115.9 | ||||
| 362 | S | 45.6 | Very low | 47 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | -174.4 | 112.6 | 122 | -159 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 363 | D | 47.9 | Very low | 47.1 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 22.3 | 137.8 | 136.5 | -84.1 | -33.4 | 0 | 0 | 0 | 119.8 | ||||
| 364 | S | 44.5 | Very low | 47 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -175.1 | 149.9 | 24.4 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 365 | D | 48.6 | Very low | 47.2 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 73 | 101.3 | 145.4 | -65.7 | -43 | 0 | 0 | 0 | 123.9 | ||||
| 366 | D | 44.9 | Very low | 47 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -49.2 | -177.5 | 150.3 | -143.7 | 15.3 | 0 | 0 | 0 | 113.8 | ||||
| 367 | P | 46.7 | Very low | 46.6 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 60% | 0.604 | 79% | 0.79 | S | S | * | * | cis | -134.1 | 151.7 | -7.7 | 38.5 | -20.2 | 0 | 0 | 0 | 115.6 | ||||
| 368 | D | 51.8 | Low | 46.8 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | 168 | 70.3 | 142.6 | -87.3 | -15.5 | 0 | 0 | 0 | 109.1 | ||||
| 369 | S | 44.2 | Very low | 46.7 | Very low | 108 Ų | 108 | 149.1 Ų | 149.1 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -99.8 | 75.6 | 167.8 | 161.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 370 | D | 57 | Low | 46.7 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -98.6 | 99.2 | 167.3 | -86 | -21.7 | 0 | 0 | 0 | 112 | I372 | D370-I372 PolarHBondContact O-N 3.44Š| ||
| 371 | R | 45.4 | Very low | 46.3 | Very low | 230 Ų | 230 | 151.7 Ų | 151.7 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -71.2 | 92.2 | 170.1 | -178.4 | -170.2 | -168 | -161.5 | 5.5 | 110.7 | ||||
| 372 | I | 54.8 | Low | 46.1 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | -142 | 107 | 158.5 | -66.4 | 96.5 | 0 | 0 | 0 | 112.7 | D370 | D370-I372 PolarHBondContact O-N 3.44Š| ||
| 373 | K | 45.4 | Very low | 45.8 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | 39.1 | 108.8 | 126.3 | -49.9 | 171.2 | -173.2 | 174.6 | 0 | 118.8 | |||||
| 374 | S | 39 | Very low | 45.4 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 14.1 | 111.3 | 128.8 | 56.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 375 | A | 51.3 | Low | 45 | Very low | 99 Ų | 99 | 154.9 Ų | 154.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -168.4 | 87.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 376 | F | 44.3 | Very low | 44.3 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -98.3 | 73.3 | 171 | -159.4 | -87.9 | 0 | 0 | 0 | 109 | ||||
| 377 | L | 40.1 | Very low | 44 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -174.6 | 105.2 | 170.3 | -102.2 | 131.4 | 0 | 0 | 0 | 107.7 | ||||
| 378 | L | 50.5 | Low | 43.6 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | trans | -173.8 | 108.5 | 146.6 | -119.3 | 82.5 | 0 | 0 | 0 | 110.2 | ||||
| 379 | Q | 42.8 | Very low | 43.1 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -98.4 | 131.2 | 158.4 | -69.4 | 176 | -60.5 | 0 | 0 | 108.3 | ||||
| 380 | K | 43.6 | Very low | 42.7 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -173.9 | 119.2 | 147.1 | -141.8 | 153.4 | 169.9 | 176.3 | 0 | 108.5 | ||||
| 381 | K | 39.9 | Very low | 41.8 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 70.4 | 140.5 | 98.7 | -130.4 | -179.1 | -179.1 | 170.2 | 0 | 110.6 | |||||
| 382 | K | 39.3 | Very low | 41.6 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 61% | 0.609 | 79% | 0.79 | S | S | * | * | cis | -173 | 153.5 | 23 | -159.8 | 177.7 | -179.7 | -172 | 0 | 105 | ||||
| 383 | E | 40.1 | Very low | 40.8 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 168 | 122.4 | 105 | -88.7 | 173.1 | -178.4 | 0 | 0 | 108 | |||||
| 384 | M | 39.9 | Very low | 40.7 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | 59.6 | 123.4 | 99.8 | -68.9 | -179.3 | 170.3 | 0 | 0 | 113.1 | |||||
| 385 | T | 36.4 | Very low | 40.6 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | -165.5 | 138.4 | 63.7 | 10.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 386 | T | 33.6 | Very low | 40.4 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 5.4 | 141.8 | 142 | 45.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 387 | T | 37.6 | Very low | 40.3 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | -177.4 | 144.7 | 104.3 | -52 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 388 | E | 38 | Very low | 40.8 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 170.6 | -175.4 | -47.8 | -170.1 | 147.4 | 0 | 0 | 113.6 | ||||
| 389 | V | 41.1 | Very low | 40.3 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | -172.6 | 142.9 | 63.2 | -128.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 390 | S | 37.7 | Very low | 40.1 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 42.8 | 118.7 | 139.1 | -64.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 391 | S | 36.2 | Very low | 39.9 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 96.1 | 135.5 | 95.7 | 71 | 0 | 0 | 0 | 0 | 111 | |||||
| 392 | E | 41.8 | Very low | 39.8 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | cis | -161.4 | 158.4 | 45.4 | -66.1 | 178.4 | 156.1 | 0 | 0 | 111 | ||||
| 393 | A | 38.4 | Very low | 39.9 | Very low | 90 Ų | 90 | 149.4 Ų | 149.4 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -86.7 | -169.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 394 | P | 42.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -154.2 | -177.1 | 25 | 39.9 | -14.2 | 0 | 0 | 0 | 119.5 | ||||
| 395 | T | 38.2 | Very low | 39.4 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 73.8 | 130.9 | 157.5 | 72.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 396 | S | 47.4 | Very low | 39.4 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | -163.9 | 162.7 | 55 | 45.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 397 | D | 41.2 | Very low | 39.9 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -46.5 | 150.1 | -174.9 | -57.8 | -92.5 | 0 | 0 | 0 | 118.3 | ||||
| 398 | L | 50.4 | Low | 40 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | -171.7 | 143.5 | 114.7 | -93.7 | 162.6 | 0 | 0 | 0 | 112 | |||||
| 399 | K | 41 | Very low | 39.9 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -107.9 | 137.3 | -150.4 | -177.8 | 174.7 | 179.3 | 175.8 | 0 | 110.9 | ||||
| 400 | R | 37.5 | Very low | 39.5 | Very low | 225 Ų | 225 | 136.9 Ų | 136.9 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | trans | 9.5 | 135.6 | 146.5 | -81.6 | 172.7 | -94 | 174.3 | -8.9 | 117.7 | ||||
| 401 | R | 38.8 | Very low | 39.7 | Very low | 229 Ų | 229 | 137.6 Ų | 137.6 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | -168.6 | 135 | 110.9 | -164 | 159.3 | 168.4 | 180 | -5.4 | 113.5 | |||||
| 402 | M | 39 | Very low | 39.9 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -78.1 | 156.6 | 170.1 | -77.2 | -161.4 | 179.5 | 0 | 0 | 113.1 | ||||
| 403 | E | 41.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | 163.5 | 130.3 | 136.6 | -91.8 | 174.1 | -180 | 0 | 0 | 105.4 | ||||
| 404 | G | 32.8 | Very low | 40 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | cis | 120.1 | 111.4 | 32.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 405 | G | 36.9 | Very low | 39.9 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | 141.8 | 99.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 406 | E | 36.7 | Very low | 40.2 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -74.9 | -179.9 | 150.2 | -67.8 | -173 | 95.2 | 0 | 0 | 109.8 | ||||
| 407 | P | 43.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | cis | -141.8 | 179.1 | 7.2 | 40.4 | -19.8 | 0 | 0 | 0 | 117 | ||||
| 408 | A | 39 | Very low | 39.4 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | trans | 71.6 | 134.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 409 | G | 36.9 | Very low | 38.9 | Very low | 81 Ų | 81 | 146.3 Ų | 146.3 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 121.4 | 100.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 410 | G | 32.6 | Very low | 38.5 | Very low | 83 Ų | 83 | 146.4 Ų | 146.4 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -81.6 | 170 | -172 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 411 | S | 42.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -175.9 | 125.4 | 142.6 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 412 | V | 39.8 | Very low | 38.2 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -61.3 | 142.9 | 169.9 | -172 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 413 | P | 40.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | -146.2 | 158.7 | 95.8 | 30.5 | -8.7 | 0 | 0 | 0 | 116.6 | |||||
| 414 | E | 40.7 | Very low | 38.1 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | trans | -37.5 | 140.7 | 174.1 | -55.9 | 165.6 | 145.5 | 0 | 0 | 116.5 | ||||
| 415 | K | 42.1 | Very low | 38.3 | Very low | 185 Ų | 185 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | 170.2 | 135.5 | 121.3 | -94.1 | 163.1 | -174 | 173.7 | 0 | 113.5 | |||||
| 416 | K | 44.3 | Very low | 38.1 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 94.6 | 91 | 152.8 | -64.6 | 167.8 | -176.9 | -171.3 | 0 | 119.1 | ||||
| 417 | A | 35.3 | Very low | 38.1 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | 19.2 | 115 | 129.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 418 | K | 36.3 | Very low | 38.3 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -146.8 | 89.6 | 152.3 | -166.6 | 164.8 | -178.5 | 176.4 | 0 | 110.8 | ||||
| 419 | V | 39.8 | Very low | 39 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 25.4 | 113.5 | 144.5 | -175.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 420 | E | 33 | Very low | 40.5 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -44.5 | 139.3 | 164.3 | -69.8 | 170.7 | 136.5 | 0 | 0 | 113.3 | ||||
| 421 | S | 35.4 | Very low | 42.6 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -130.7 | 65.6 | 160 | 172.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 422 | D | 33.4 | Very low | 44.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -96.3 | 93.5 | 159.1 | -83.7 | -45.3 | 0 | 0 | 0 | 108.3 | ||||
| 423 | K | 41.8 | Very low | 47 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 78% | 0.778 | 69% | 0.689 | S | S | * | * | trans | -100.6 | 99.4 | 166.8 | -91.6 | -168.5 | 177.1 | -177.8 | 0 | 110.6 | ||||
| 424 | A | 37.4 | Very low | 49.1 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | 71.1 | 95.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 425 | K | 36.5 | Very low | 51.4 | Low | 211 Ų | 211 | 125 Ų | 125 | 92% | 0.917 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -109.9 | 63.5 | 139.5 | -75.8 | -175.7 | 177.8 | 176 | 0 | 109.2 | ||
| 426 | D | 32.9 | Very low | 53.7 | Low | 158 Ų | 158 | 116.2 Ų | 116.2 | 85% | 0.845 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -168.8 | 142.5 | 152.5 | -130 | -29.8 | 0 | 0 | 0 | 111.1 | ||
| 427 | G | 37.5 | Very low | 55.8 | Low | 60 Ų | 60 | 111.7 Ų | 111.7 | 62% | 0.619 | 59% | 0.592 | S | S | * | * | trans | 101.9 | 33.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | S429 | G427-S429 PolarHBondContact O-N 3.49Š| ||
| 428 | R | 47.1 | Very low | 58.4 | Low | 185 Ų | 185 | 113.8 Ų | 113.8 | 70% | 0.698 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 37.9 | -176.6 | -64.8 | -167.1 | -166.9 | 156.8 | 5.8 | 117.1 | ||
| 429 | S | 53.2 | Low | 60.9 | Low | 55 Ų | 55 | 106.6 Ų | 106.6 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.5 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 114.3 | G427 | G427-S429 PolarHBondContact O-N 3.49Š|
| 430 | E | 68 | Low | 63.4 | Low | 124 Ų | 124 | 100.1 Ų | 100.1 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -109.9 | 131 | -179 | -76.6 | -164 | 121.9 | 0 | 0 | 113.8 | T432 R469 | E430-T432 PolarHBondContact O-N 2.94Å; E430-R469 IonicContact OE1-CZ 2.83Å; E430-R469 IonicContact OE1-NH1 3.9Å; E430-R469 PolarHBondContact OE1-NH1 2.86Å; E430-R469 VanDerWaalsContact OE1-NH1 3.1Å; E430-R469 IonicContact OE1-NH2 3.9Å |
| 431 | I | 76.7 | Confident | 65.9 | Low | 11 Ų | 11 | 96.6 Ų | 96.6 | 6% | 0.056 | 49% | 0.489 | C | S | . | . | trans | -68.1 | 98.6 | 169.3 | -59.1 | 167.7 | 0 | 0 | 0 | 107.4 | V436 F454 C458 M461 I466 R469 | I431-V436 HydrophobicContact CG2-CG2 4.01Å; I431-F454 HydrophobicContact CG1-CD1 4.09Å; I431-F454 HydrophobicContact CG1-CG 4.48Å; I431-F454 HydrophobicContact CG2-CD1 4.32Å; I431-F454 HydrophobicContact CG2-CE1 4.17Å; I431-F454 HydrophobicContact CG2-CZ 4.44Å; I431-C458 VanDerWaalsContact CG1-SG 3.54Å; I431-M461 HydrophobicContact CD1-CE 3.69Å; I431-M461 HydrophobicContact CG1-CE 3.99Å; I431-I466 HydrophobicContact CD1-CB 4.19Å; I431-I466 HydrophobicContact CD1-CG1 4.24Å; I431-I466 HydrophobicContact CD1-CG2 3.87Å; I431-R469 HydrophobicContact CD1-CB 3.9Å | ||
| 432 | T | 87 | Confident | 68.4 | Low | 67 Ų | 67 | 100 Ų | 100 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | trans | -87.4 | 148.5 | 178.9 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | E430 E434 E435 V436 | E430-T432 PolarHBondContact O-N 2.94Å; T432-E434 VanDerWaalsContact C-N 3.31Å; T432-E434 PolarHBondContact O-N 3.1Å; T432-E435 PolarHBondContact O-N 3.38Å; T432-V436 PolarHBondContact O-N 3.38Å | ||
| 433 | E | 87.6 | Confident | 71 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | -179.4 | -177.1 | 168.9 | 175.9 | 0 | 0 | 112.6 | E435 V436 R437 V473 L477 | E433-E435 VanDerWaalsContact C-N 3.32Å; E433-E435 PolarHBondContact O-N 3.19Å; E433-V436 PolarHBondContact O-N 3.44Å; E433-R437 WeakPolarHBondContact O-CB 3.35Å; E433-R437 PolarHBondContact O-N 3.43Å; E433-V473 HydrophobicContact CB-CG1 4.28Å; E433-V473 HydrophobicContact CG-CG1 4.22Å; E433-L477 HydrophobicContact CG-CD1 4.19Å; E433-L477 HydrophobicContact CG-CD2 3.86Å; E433-L477 HydrophobicContact CG-CG 3.91Å |
| 434 | E | 84.8 | Confident | 73.2 | Confident | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -36.4 | 176.6 | -117.4 | 68.2 | -132.1 | 0 | 0 | 113.3 | T432 R438 | T432-E434 VanDerWaalsContact C-N 3.31Å; T432-E434 PolarHBondContact O-N 3.1Å; E434-R438 WeakPolarHBondContact O-CB 3.35Å; E434-R438 PolarHBondContact O-N 3.21Å |
| 435 | E | 89 | Confident | 75.7 | Confident | 56 Ų | 56 | 91.7 Ų | 91.7 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | -177.2 | -154.7 | 89.4 | -171.3 | 0 | 0 | 110.2 | T432 E433 R438 Y439 F454 R457 | T432-E435 PolarHBondContact O-N 3.38Å; E433-E435 VanDerWaalsContact C-N 3.32Å; E433-E435 PolarHBondContact O-N 3.19Å; E435-R438 PolarHBondContact O-N 3.4Å; E435-Y439 HydrophobicContact CG-CE2 4.17Å; E435-Y439 WeakPolarHBondContact O-CD2 3.49Å; E435-Y439 PolarHBondContact O-N 3.26Å; E435-F454 HydrophobicContact CB-CE1 4.1Å; E435-F454 HydrophobicContact CB-CZ 4.05Å; E435-F454 HydrophobicContact CG-CE1 3.87Å; E435-F454 HydrophobicContact CG-CZ 3.99Å; E435-R457 IonicContact OE1-CZ 3.64Å; E435-R457 IonicContact OE1-NH1 3.87Å; E435-R457 PolarHBondContact OE1-NH1 3.34Å |
| 436 | V | 90.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | I431 T432 E433 R438 Y439 L440 L450 F454 M470 V473 L477 | I431-V436 HydrophobicContact CG2-CG2 4.01Å; T432-V436 PolarHBondContact O-N 3.38Å; E433-V436 PolarHBondContact O-N 3.44Å; V436-R438 VanDerWaalsContact C-N 3.3Å; V436-R438 PolarHBondContact O-N 2.99Å; V436-Y439 PolarHBondContact O-N 2.85Å; V436-Y439 VanDerWaalsContact O-N 3.17Å; V436-L440 HydrophobicContact CG1-CD1 3.9Å; V436-L440 HydrophobicContact CG1-CG 4.47Å; V436-L440 WeakPolarHBondContact O-CG 3.13Å; V436-L440 PolarHBondContact O-N 3.21Å; V436-L440 VanDerWaalsContact O-N 3.11Å; V436-L450 HydrophobicContact CG1-CD2 4.23Å; V436-F454 HydrophobicContact CG2-CE2 3.86Å; V436-F454 HydrophobicContact CG2-CZ 3.71Å; V436-M470 HydrophobicContact CB-CE 4.05Å; V436-M470 HydrophobicContact CG1-CE 3.46Å; V436-M470 VanDerWaalsContact CG1-CE 3.46Å; V436-M470 HydrophobicContact CG2-CE 3.37Å; V436-M470 HydrophobicContact CG2-SD 3.98Å; V436-V473 HydrophobicContact CB-CG1 3.79Å; V436-V473 HydrophobicContact CG1-CG1 3.9Å; V436-V473 HydrophobicContact CG2-CG1 3.86Å; V436-L477 HydrophobicContact CB-CD1 4.22Å; V436-L477 HydrophobicContact CG1-CD1 3.82Å |
| 437 | R | 89.3 | Confident | 81 | Confident | 100 Ų | 100 | 77.2 Ų | 77.2 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 176.6 | -177.1 | -178.8 | -179.8 | 159.3 | 9.1 | 111.6 | E433 Y439 L440 E441 L477 | E433-R437 WeakPolarHBondContact O-CB 3.35Å; E433-R437 PolarHBondContact O-N 3.43Å; R437-Y439 VanDerWaalsContact C-N 3.29Å; R437-Y439 PolarHBondContact O-N 2.85Å; R437-L440 PolarHBondContact O-N 3.3Å; R437-E441 HydrophobicContact CG-CG 4.44Å; R437-E441 WeakPolarHBondContact CG-OE1 3.32Å; R437-E441 IonicContact CZ-OE1 3.94Å; R437-E441 IonicContact NE-OE1 3.01Å; R437-E441 PolarHBondContact NE-OE1 3.1Å; R437-E441 WeakPolarHBondContact O-CG 3.41Å; R437-E441 PolarHBondContact O-N 3.19Å; R437-L477 HydrophobicContact CB-CD1 4.17Å; R437-L477 HydrophobicContact CB-CD2 4.01Å; R437-L477 HydrophobicContact CG-CD2 4.19Å |
| 438 | R | 88.9 | Confident | 83.4 | Confident | 149 Ų | 149 | 80.2 Ų | 80.2 | 56% | 0.562 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.1 | -31.5 | 179.9 | -167.6 | -172.6 | -81.4 | -156.9 | -4.9 | 113.2 | E434 E435 V436 | E434-R438 WeakPolarHBondContact O-CB 3.35Å; E434-R438 PolarHBondContact O-N 3.21Å; E435-R438 PolarHBondContact O-N 3.4Å; V436-R438 VanDerWaalsContact C-N 3.3Å; V436-R438 PolarHBondContact O-N 2.99Å |
| 439 | Y | 90.3 | Very high | 85.6 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.8 | -44.5 | 173.7 | -79.6 | -66.7 | 0 | 0 | 0 | 111.8 | E435 V436 R437 E441 R442 K443 L445 K453 F454 | E435-Y439 HydrophobicContact CG-CE2 4.17Å; E435-Y439 WeakPolarHBondContact O-CD2 3.49Å; E435-Y439 PolarHBondContact O-N 3.26Å; V436-Y439 PolarHBondContact O-N 2.85Å; V436-Y439 VanDerWaalsContact O-N 3.17Å; R437-Y439 VanDerWaalsContact C-N 3.29Å; R437-Y439 PolarHBondContact O-N 2.85Å; Y439-E441 VanDerWaalsContact C-N 3.32Å; Y439-E441 PolarHBondContact O-N 2.95Å; Y439-R442 PolarHBondContact O-N 3.28Å; Y439-K443 PolarHBondContact O-N 3.32Å; Y439-L445 HydrophobicContact CD1-CD1 4.45Å; Y439-L445 HydrophobicContact CG-CD1 4.39Å; Y439-K453 HydrophobicContact CE1-CD 4.47Å; Y439-K453 HydrophobicContact CE1-CG 4.39Å; Y439-F454 HydrophobicContact CD2-CE2 4.13Å; Y439-F454 HydrophobicContact CD2-CZ 4.04Å; Y439-F454 HydrophobicContact CE2-CE2 4.26Å; Y439-F454 AromaticContact CE2-CZ 4Å; Y439-F454 HydrophobicContact CE2-CZ 4Å |
| 440 | L | 90.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.5 | -23.5 | -179.8 | -66.8 | 173.9 | 0 | 0 | 0 | 114.2 | V436 R437 L445 L450 L474 P479 F490 M492 | V436-L440 HydrophobicContact CG1-CD1 3.9Å; V436-L440 HydrophobicContact CG1-CG 4.47Å; V436-L440 WeakPolarHBondContact O-CG 3.13Å; V436-L440 PolarHBondContact O-N 3.21Å; V436-L440 VanDerWaalsContact O-N 3.11Å; R437-L440 PolarHBondContact O-N 3.3Å; L440-L445 HydrophobicContact CD2-CB 4.36Å; L440-L450 HydrophobicContact CD2-CD1 4.18Å; L440-L474 HydrophobicContact CD1-CD2 4.06Å; L440-P479 HydrophobicContact CD1-CB 4.17Å; L440-P479 HydrophobicContact CD1-CG 4.32Å; L440-F490 HydrophobicContact CD2-CB 3.64Å; L440-F490 VanDerWaalsContact CD2-O 3.24Å; L440-F490 WeakPolarHBondContact CD2-O 3.42Å; L440-M492 HydrophobicContact CB-CB 4.05Å; L440-M492 HydrophobicContact CB-CG 3.68Å; L440-M492 HydrophobicContact CD1-CG 4.21Å; L440-M492 PolarHBondContact O-N 3.09Å; L440-M492 VanDerWaalsContact O-N 3.07Å |
| 441 | E | 87.2 | Confident | 88.4 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.9 | 174 | -77.3 | 174.8 | -178.7 | 0 | 0 | 113.1 | R437 Y439 M492 | R437-E441 HydrophobicContact CG-CG 4.44Å; R437-E441 WeakPolarHBondContact CG-OE1 3.32Å; R437-E441 IonicContact CZ-OE1 3.94Å; R437-E441 IonicContact NE-OE1 3.01Å; R437-E441 PolarHBondContact NE-OE1 3.1Å; R437-E441 WeakPolarHBondContact O-CG 3.41Å; R437-E441 PolarHBondContact O-N 3.19Å; Y439-E441 VanDerWaalsContact C-N 3.32Å; Y439-E441 PolarHBondContact O-N 2.95Å; E441-M492 HydrophobicContact CG-CB 3.92Å |
| 442 | R | 86.8 | Confident | 89 | Confident | 184 Ų | 184 | 70.5 Ų | 70.5 | 69% | 0.694 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -46.3 | -176.9 | -76.1 | 179.1 | 171.5 | 145.5 | -4.5 | 113.3 | Y439 | Y439-R442 PolarHBondContact O-N 3.28Š|
| 443 | K | 88 | Confident | 89.1 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -144.8 | 143.7 | -179.9 | -83.6 | -174.9 | 174.3 | -178.5 | 0 | 108.7 | Y439 L445 | Y439-K443 PolarHBondContact O-N 3.32Å; K443-L445 PolarHBondContact O-N 3.36Å |
| 444 | P | 89.1 | Confident | 89.1 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | trans | -64.2 | 129.2 | 167.8 | 27.4 | -32.4 | 0 | 0 | 0 | 109.5 | F482 F490 | P444-F482 HydrophobicContact CB-CE1 3.57Å; P444-F482 HydrophobicContact CB-CZ 3.38Å; P444-F482 HydrophobicContact CG-CE1 4.41Å; P444-F482 HydrophobicContact CG-CZ 3.87Å; P444-F490 CarbonylContact C-O 3.54Å; P444-F490 VanDerWaalsContact CA-O 3.24Å; P444-F490 WeakPolarHBondContact CA-O 3.31Å | ||
| 445 | L | 89.2 | Confident | 89.1 | Confident | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142 | -174.7 | -74 | 161.8 | 0 | 0 | 0 | 111.2 | Y439 L440 K443 E449 L450 F490 | Y439-L445 HydrophobicContact CD1-CD1 4.45Å; Y439-L445 HydrophobicContact CG-CD1 4.39Å; L440-L445 HydrophobicContact CD2-CB 4.36Å; K443-L445 PolarHBondContact O-N 3.36Å; L445-E449 WeakPolarHBondContact CA-OE2 3.34Å; L445-E449 HydrophobicContact CD2-CB 3.81Å; L445-E449 WeakPolarHBondContact CD2-OE2 3.49Å; L445-L450 HydrophobicContact CB-CD1 4.4Å; L445-L450 HydrophobicContact CB-CG 4.19Å; L445-F490 PolarHBondContact N-O 3.32Å; L445-F490 PolarHBondContact O-N 3.05Å |
| 446 | S | 92.6 | Very high | 88.8 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 157.1 | 169.2 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | M448 E449 L450 | S446-M448 PolarHBondContact O-N 3.38Å; S446-M448 PolarHBondContact OG-N 3.31Å; S446-E449 PolarHBondContact N-OE2 2.88Å; S446-E449 PolarHBondContact O-N 2.72Å; S446-E449 VanDerWaalsContact O-N 3.1Å; S446-L450 PolarHBondContact O-N 3.28Å |
| 447 | C | 87.2 | Confident | 88 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.3 | -38.7 | 173.5 | -166.3 | 0 | 0 | 0 | 0 | 112 | V451 F490 | C447-V451 VanDerWaalsContact O-CG2 3.29Å; C447-V451 WeakPolarHBondContact O-CG2 3.19Å; C447-V451 PolarHBondContact O-N 3.22Å; C447-F490 HydrophobicContact CB-CE2 4.26Å |
| 448 | M | 89.2 | Confident | 87.2 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 60% | 0.601 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 176.4 | -78.3 | -101.4 | 69.7 | 0 | 0 | 112.2 | S446 V451 S452 | S446-M448 PolarHBondContact O-N 3.38Å; S446-M448 PolarHBondContact OG-N 3.31Å; M448-V451 PolarHBondContact O-N 2.88Å; M448-S452 WeakPolarHBondContact O-CB 3.21Å; M448-S452 PolarHBondContact O-N 3.08Å |
| 449 | E | 91.6 | Very high | 86.5 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 179.6 | -65.7 | 177.9 | 133.7 | 0 | 0 | 111.4 | L445 S446 S452 K453 | L445-E449 WeakPolarHBondContact CA-OE2 3.34Å; L445-E449 HydrophobicContact CD2-CB 3.81Å; L445-E449 WeakPolarHBondContact CD2-OE2 3.49Å; S446-E449 PolarHBondContact N-OE2 2.88Å; S446-E449 PolarHBondContact O-N 2.72Å; S446-E449 VanDerWaalsContact O-N 3.1Å; E449-S452 WeakPolarHBondContact O-CB 3.4Å; E449-S452 PolarHBondContact O-N 3.01Å; E449-K453 WeakPolarHBondContact O-CG 3.48Å; E449-K453 PolarHBondContact O-N 3.2Å |
| 450 | L | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.8 | -51.8 | 173 | -91.2 | 156.3 | 0 | 0 | 0 | 111.1 | V436 L440 L445 S446 S452 K453 F454 M470 L474 | V436-L450 HydrophobicContact CG1-CD2 4.23Å; L440-L450 HydrophobicContact CD2-CD1 4.18Å; L445-L450 HydrophobicContact CB-CD1 4.4Å; L445-L450 HydrophobicContact CB-CG 4.19Å; S446-L450 PolarHBondContact O-N 3.28Å; L450-S452 VanDerWaalsContact C-N 3.26Å; L450-S452 PolarHBondContact O-N 3.5Å; L450-K453 PolarHBondContact O-N 3.11Å; L450-K453 VanDerWaalsContact O-N 3.07Å; L450-F454 HydrophobicContact CD2-CE2 4.05Å; L450-F454 VanDerWaalsContact O-CD2 3.28Å; L450-F454 WeakPolarHBondContact O-CD2 3.29Å; L450-F454 PolarHBondContact O-N 3.17Å; L450-M470 HydrophobicContact CB-SD 3.85Å; L450-M470 HydrophobicContact CD1-SD 4.37Å; L450-M470 HydrophobicContact CD2-CE 4.42Å; L450-M470 HydrophobicContact CD2-SD 3.78Å; L450-M470 HydrophobicContact CG-SD 4.22Å; L450-L474 HydrophobicContact CD1-CD2 4.48Å |
| 451 | V | 90 | Very high | 85.3 | Confident | 9 Ų | 9 | 79.9 Ų | 79.9 | 6% | 0.055 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | C447 M448 K453 F454 K455 I466 V467 | C447-V451 VanDerWaalsContact O-CG2 3.29Å; C447-V451 WeakPolarHBondContact O-CG2 3.19Å; C447-V451 PolarHBondContact O-N 3.22Å; M448-V451 PolarHBondContact O-N 2.88Å; V451-K453 VanDerWaalsContact C-N 3.31Å; V451-K453 PolarHBondContact O-N 3.32Å; V451-F454 PolarHBondContact O-N 3.38Å; V451-K455 WeakPolarHBondContact O-CB 3.33Å; V451-K455 PolarHBondContact O-N 2.97Å; V451-I466 HydrophobicContact CG1-CG2 4.24Å; V451-I466 HydrophobicContact CG2-CG2 4.45Å; V451-V467 HydrophobicContact CG2-CG2 3.87Å |
| 452 | S | 88.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 56% | 0.559 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -35.2 | 177.5 | -163.8 | 0 | 0 | 0 | 0 | 112.9 | M448 E449 L450 P456 | M448-S452 WeakPolarHBondContact O-CB 3.21Å; M448-S452 PolarHBondContact O-N 3.08Å; E449-S452 WeakPolarHBondContact O-CB 3.4Å; E449-S452 PolarHBondContact O-N 3.01Å; L450-S452 VanDerWaalsContact C-N 3.26Å; L450-S452 PolarHBondContact O-N 3.5Å; S452-P456 VanDerWaalsContact O-CD 3.23Å; S452-P456 WeakPolarHBondContact O-CD 3.39Å |
| 453 | K | 89 | Confident | 85.4 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 47% | 0.47 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.3 | -31.3 | 176.2 | -65.9 | -62.2 | -179.9 | -171 | 0 | 113.7 | Y439 E449 L450 V451 | Y439-K453 HydrophobicContact CE1-CD 4.47Å; Y439-K453 HydrophobicContact CE1-CG 4.39Å; E449-K453 WeakPolarHBondContact O-CG 3.48Å; E449-K453 PolarHBondContact O-N 3.2Å; L450-K453 PolarHBondContact O-N 3.11Å; L450-K453 VanDerWaalsContact O-N 3.07Å; V451-K453 VanDerWaalsContact C-N 3.31Å; V451-K453 PolarHBondContact O-N 3.32Å |
| 454 | F | 87.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 2% | 0.022 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -91.6 | -21.6 | -179.2 | -73.8 | -80.6 | 0 | 0 | 0 | 113.7 | I431 E435 V436 Y439 L450 V451 R457 C458 I466 M470 | I431-F454 HydrophobicContact CG1-CD1 4.09Å; I431-F454 HydrophobicContact CG1-CG 4.48Å; I431-F454 HydrophobicContact CG2-CD1 4.32Å; I431-F454 HydrophobicContact CG2-CE1 4.17Å; I431-F454 HydrophobicContact CG2-CZ 4.44Å; E435-F454 HydrophobicContact CB-CE1 4.1Å; E435-F454 HydrophobicContact CB-CZ 4.05Å; E435-F454 HydrophobicContact CG-CE1 3.87Å; E435-F454 HydrophobicContact CG-CZ 3.99Å; V436-F454 HydrophobicContact CG2-CE2 3.86Å; V436-F454 HydrophobicContact CG2-CZ 3.71Å; Y439-F454 HydrophobicContact CD2-CE2 4.13Å; Y439-F454 HydrophobicContact CD2-CZ 4.04Å; Y439-F454 HydrophobicContact CE2-CE2 4.26Å; Y439-F454 AromaticContact CE2-CZ 4Å; Y439-F454 HydrophobicContact CE2-CZ 4Å; L450-F454 HydrophobicContact CD2-CE2 4.05Å; L450-F454 VanDerWaalsContact O-CD2 3.28Å; L450-F454 WeakPolarHBondContact O-CD2 3.29Å; L450-F454 PolarHBondContact O-N 3.17Å; V451-F454 PolarHBondContact O-N 3.38Å; F454-R457 PolarHBondContact O-N 3Å; F454-C458 WeakPolarHBondContact O-CB 3.37Å; F454-C458 PolarHBondContact O-N 3.15Å; F454-I466 HydrophobicContact CB-CG2 4.37Å; F454-M470 HydrophobicContact CD2-SD 4.25Å; F454-M470 HydrophobicContact CE2-SD 4.25Å |
| 455 | K | 85.3 | Confident | 85.5 | Confident | 141 Ų | 141 | 76.5 Ų | 76.5 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -48 | 176.2 | -158.5 | -177.2 | -177.1 | -168.6 | 0 | 114.4 | V451 R457 | V451-K455 WeakPolarHBondContact O-CB 3.33Å; V451-K455 PolarHBondContact O-N 2.97Å; K455-R457 VanDerWaalsContact C-N 3.28Å; K455-R457 PolarHBondContact O-N 3Å |
| 456 | P | 83.9 | Confident | 85.6 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 68% | 0.682 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15.2 | 178.5 | 29.1 | -35.3 | 0 | 0 | 0 | 113.8 | S452 | S452-P456 VanDerWaalsContact O-CD 3.23Å; S452-P456 WeakPolarHBondContact O-CD 3.39Å |
| 457 | R | 73.2 | Confident | 85.5 | Confident | 101 Ų | 101 | 78.2 Ų | 78.2 | 38% | 0.381 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -25.8 | -179.7 | -68 | -165.9 | 173.6 | -162.7 | 5 | 113.1 | E435 F454 K455 | E435-R457 IonicContact OE1-CZ 3.64Å; E435-R457 IonicContact OE1-NH1 3.87Å; E435-R457 PolarHBondContact OE1-NH1 3.34Å; F454-R457 PolarHBondContact O-N 3Å; K455-R457 VanDerWaalsContact C-N 3.28Å; K455-R457 PolarHBondContact O-N 3Å |
| 458 | C | 71.6 | Confident | 85.7 | Confident | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | trans | -111.7 | 48 | -177.3 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | I431 F454 K460 M461 I466 | I431-C458 VanDerWaalsContact CG1-SG 3.54Å; F454-C458 WeakPolarHBondContact O-CB 3.37Å; F454-C458 PolarHBondContact O-N 3.15Å; C458-K460 PolarHBondContact O-N 3.43Å; C458-M461 HydrophobicContact CB-CE 4.27Å; C458-M461 PolarHBondContact O-N 3.11Å; C458-M461 VanDerWaalsContact O-N 3.09Å; C458-I466 HydrophobicContact CB-CD1 4.07Å; C458-I466 HydrophobicContact CB-CG1 4.26Å | ||
| 459 | S | 73.7 | Confident | 85.7 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 79% | 0.79 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.3 | -179 | -173.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 460 | K | 80.6 | Confident | 85.6 | Confident | 178 Ų | 178 | 77.6 Ų | 77.6 | 77% | 0.774 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.7 | 179.9 | -62.5 | -175.4 | 179 | -178.2 | 0 | 114.3 | C458 | C458-K460 PolarHBondContact O-N 3.43Š|
| 461 | M | 75.9 | Confident | 85.6 | Confident | 42 Ų | 42 | 79.7 Ų | 79.7 | 21% | 0.207 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -115.4 | 144.4 | -179.7 | -66.7 | -159.9 | -64.5 | 0 | 0 | 111.3 | I431 C458 E465 I466 R469 | I431-M461 HydrophobicContact CD1-CE 3.69Å; I431-M461 HydrophobicContact CG1-CE 3.99Å; C458-M461 HydrophobicContact CB-CE 4.27Å; C458-M461 PolarHBondContact O-N 3.11Å; C458-M461 VanDerWaalsContact O-N 3.09Å; M461-E465 HydrophobicContact CB-CB 4.13Å; M461-E465 HydrophobicContact SD-CB 4.37Å; M461-I466 HydrophobicContact CB-CG1 4.12Å; M461-I466 HydrophobicContact CE-CG1 4.39Å; M461-R469 HydrophobicContact CE-CG 4.39Å |
| 462 | S | 88.1 | Confident | 85.7 | Confident | 55 Ų | 55 | 83 Ų | 83 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | trans | -64.4 | 156.4 | 173.8 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | Q464 E465 I466 | S462-Q464 PolarHBondContact O-N 3.43Å; S462-Q464 VanDerWaalsContact O-N 3.15Å; S462-E465 WeakPolarHBondContact CB-OE2 3.44Å; S462-E465 PolarHBondContact N-OE2 3.26Å; S462-E465 PolarHBondContact O-N 2.9Å; S462-E465 VanDerWaalsContact O-N 3.12Å; S462-E465 VanDerWaalsContact OG-CG 3.31Å; S462-E465 WeakPolarHBondContact OG-CG 3.36Å; S462-E465 PolarHBondContact OG-N 2.94Å; S462-E465 PolarHBondContact OG-OE2 3.23Å; S462-I466 WeakPolarHBondContact O-CG1 3.22Å; S462-I466 PolarHBondContact O-N 3.2Å | ||
| 463 | K | 87.1 | Confident | 85.8 | Confident | 135 Ų | 135 | 79.8 Ų | 79.8 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -54.9 | -35 | 175.8 | -173.7 | -177.9 | 177.3 | -173.6 | 0 | 111.7 | V467 | K463-V467 VanDerWaalsContact O-CG2 3.23Å; K463-V467 WeakPolarHBondContact O-CG2 3.46Å; K463-V467 PolarHBondContact O-N 3.02Å; K463-V467 VanDerWaalsContact O-N 3.15Å |
| 464 | Q | 90 | Very high | 85.9 | Confident | 155 Ų | 155 | 75.8 Ų | 75.8 | 72% | 0.724 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.5 | -41.9 | 178.7 | -71 | 179.5 | -27.3 | 0 | 0 | 112.3 | S462 V467 Q468 | S462-Q464 PolarHBondContact O-N 3.43Å; S462-Q464 VanDerWaalsContact O-N 3.15Å; Q464-V467 PolarHBondContact O-N 3.2Å; Q464-Q468 WeakPolarHBondContact O-CG 3.48Å; Q464-Q468 PolarHBondContact O-N 2.84Å |
| 465 | E | 89.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 175.5 | -75.8 | 166.4 | 137.1 | 0 | 0 | 112.2 | M461 S462 V467 Q468 R469 | M461-E465 HydrophobicContact CB-CB 4.13Å; M461-E465 HydrophobicContact SD-CB 4.37Å; S462-E465 WeakPolarHBondContact CB-OE2 3.44Å; S462-E465 PolarHBondContact N-OE2 3.26Å; S462-E465 PolarHBondContact O-N 2.9Å; S462-E465 VanDerWaalsContact O-N 3.12Å; S462-E465 VanDerWaalsContact OG-CG 3.31Å; S462-E465 WeakPolarHBondContact OG-CG 3.36Å; S462-E465 PolarHBondContact OG-N 2.94Å; S462-E465 PolarHBondContact OG-OE2 3.23Å; E465-V467 VanDerWaalsContact C-N 3.31Å; E465-V467 PolarHBondContact O-N 3.04Å; E465-Q468 PolarHBondContact O-N 3.02Å; E465-R469 WeakPolarHBondContact O-CB 3.48Å; E465-R469 WeakPolarHBondContact O-CG 3.24Å; E465-R469 PolarHBondContact O-N 3.09Å |
| 466 | I | 90.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 83.4 Ų | 83.4 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.6 | -65.5 | 171.5 | 0 | 0 | 0 | 110.2 | I431 V451 F454 C458 M461 S462 M470 | I431-I466 HydrophobicContact CD1-CB 4.19Å; I431-I466 HydrophobicContact CD1-CG1 4.24Å; I431-I466 HydrophobicContact CD1-CG2 3.87Å; V451-I466 HydrophobicContact CG1-CG2 4.24Å; V451-I466 HydrophobicContact CG2-CG2 4.45Å; F454-I466 HydrophobicContact CB-CG2 4.37Å; C458-I466 HydrophobicContact CB-CD1 4.07Å; C458-I466 HydrophobicContact CB-CG1 4.26Å; M461-I466 HydrophobicContact CB-CG1 4.12Å; M461-I466 HydrophobicContact CE-CG1 4.39Å; S462-I466 WeakPolarHBondContact O-CG1 3.22Å; S462-I466 PolarHBondContact O-N 3.2Å; I466-M470 VanDerWaalsContact O-CB 3.26Å; I466-M470 WeakPolarHBondContact O-CB 3.29Å; I466-M470 WeakPolarHBondContact O-CG 3.25Å; I466-M470 PolarHBondContact O-N 3.38Å |
| 467 | V | 91.6 | Very high | 86.3 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V451 K463 Q464 E465 M470 A471 | V451-V467 HydrophobicContact CG2-CG2 3.87Å; K463-V467 VanDerWaalsContact O-CG2 3.23Å; K463-V467 WeakPolarHBondContact O-CG2 3.46Å; K463-V467 PolarHBondContact O-N 3.02Å; K463-V467 VanDerWaalsContact O-N 3.15Å; Q464-V467 PolarHBondContact O-N 3.2Å; E465-V467 VanDerWaalsContact C-N 3.31Å; E465-V467 PolarHBondContact O-N 3.04Å; V467-M470 PolarHBondContact O-N 2.79Å; V467-A471 WeakPolarHBondContact O-CB 3.27Å; V467-A471 PolarHBondContact O-N 2.82Å |
| 468 | Q | 91.6 | Very high | 87 | Confident | 131 Ų | 131 | 82.3 Ų | 82.3 | 61% | 0.612 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.3 | -46.4 | 177.2 | -77.8 | 179.9 | -3.5 | 0 | 0 | 112.4 | Q464 E465 M470 A471 T472 | Q464-Q468 WeakPolarHBondContact O-CG 3.48Å; Q464-Q468 PolarHBondContact O-N 2.84Å; E465-Q468 PolarHBondContact O-N 3.02Å; Q468-M470 VanDerWaalsContact C-N 3.33Å; Q468-M470 PolarHBondContact O-N 3.29Å; Q468-A471 PolarHBondContact O-N 3.46Å; Q468-T472 PolarHBondContact O-N 3.43Å; Q468-T472 PolarHBondContact O-OG1 2.79Å |
| 469 | R | 89.5 | Confident | 87.7 | Confident | 113 Ų | 113 | 82.8 Ų | 82.8 | 43% | 0.426 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.6 | -73.8 | -82 | -176.3 | 146.7 | 1.2 | 110.6 | E430 I431 M461 E465 T472 V473 | E430-R469 IonicContact OE1-CZ 2.83Å; E430-R469 IonicContact OE1-NH1 3.9Å; E430-R469 PolarHBondContact OE1-NH1 2.86Å; E430-R469 VanDerWaalsContact OE1-NH1 3.1Å; E430-R469 IonicContact OE1-NH2 3.9Å; I431-R469 HydrophobicContact CD1-CB 3.9Å; M461-R469 HydrophobicContact CE-CG 4.39Å; E465-R469 WeakPolarHBondContact O-CB 3.48Å; E465-R469 WeakPolarHBondContact O-CG 3.24Å; E465-R469 PolarHBondContact O-N 3.09Å; R469-T472 WeakPolarHBondContact O-CB 3.19Å; R469-T472 PolarHBondContact O-N 3.4Å; R469-V473 WeakPolarHBondContact O-CG2 3.41Å; R469-V473 PolarHBondContact O-N 3.01Å |
| 470 | M | 89.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.8 | -89 | -90.7 | 47.4 | 0 | 0 | 113.1 | V436 L450 F454 I466 V467 Q468 T472 V473 L474 | V436-M470 HydrophobicContact CB-CE 4.05Å; V436-M470 HydrophobicContact CG1-CE 3.46Å; V436-M470 VanDerWaalsContact CG1-CE 3.46Å; V436-M470 HydrophobicContact CG2-CE 3.37Å; V436-M470 HydrophobicContact CG2-SD 3.98Å; L450-M470 HydrophobicContact CB-SD 3.85Å; L450-M470 HydrophobicContact CD1-SD 4.37Å; L450-M470 HydrophobicContact CD2-CE 4.42Å; L450-M470 HydrophobicContact CD2-SD 3.78Å; L450-M470 HydrophobicContact CG-SD 4.22Å; F454-M470 HydrophobicContact CD2-SD 4.25Å; F454-M470 HydrophobicContact CE2-SD 4.25Å; I466-M470 VanDerWaalsContact O-CB 3.26Å; I466-M470 WeakPolarHBondContact O-CB 3.29Å; I466-M470 WeakPolarHBondContact O-CG 3.25Å; I466-M470 PolarHBondContact O-N 3.38Å; V467-M470 PolarHBondContact O-N 2.79Å; Q468-M470 VanDerWaalsContact C-N 3.33Å; Q468-M470 PolarHBondContact O-N 3.29Å; M470-T472 PolarHBondContact O-N 2.7Å; M470-V473 HydrophobicContact CE-CB 4.2Å; M470-V473 HydrophobicContact CE-CG1 4.38Å; M470-V473 PolarHBondContact O-N 3.24Å; M470-L474 HydrophobicContact CE-CD1 4.38Å; M470-L474 HydrophobicContact CE-CD2 4.47Å; M470-L474 HydrophobicContact CE-CG 3.97Å; M470-L474 WeakPolarHBondContact O-CB 3.33Å; M470-L474 WeakPolarHBondContact O-CG 3.18Å; M470-L474 PolarHBondContact O-N 2.91Å |
| 471 | A | 90.3 | Very high | 88.7 | Confident | 44 Ų | 44 | 80.9 Ų | 80.9 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V467 Q468 K475 | V467-A471 WeakPolarHBondContact O-CB 3.27Å; V467-A471 PolarHBondContact O-N 2.82Å; Q468-A471 PolarHBondContact O-N 3.46Å; A471-K475 WeakPolarHBondContact O-CB 3.43Å; A471-K475 VanDerWaalsContact O-CG 3.32Å; A471-K475 WeakPolarHBondContact O-CG 3.43Å; A471-K475 PolarHBondContact O-N 2.91Å; A471-K475 VanDerWaalsContact O-N 3.09Å |
| 472 | T | 92.4 | Very high | 89.4 | Confident | 77 Ų | 77 | 82.3 Ų | 82.3 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 177.3 | -52 | 0 | 0 | 0 | 0 | 111.2 | Q468 R469 M470 K476 | Q468-T472 PolarHBondContact O-N 3.43Å; Q468-T472 PolarHBondContact O-OG1 2.79Å; R469-T472 WeakPolarHBondContact O-CB 3.19Å; R469-T472 PolarHBondContact O-N 3.4Å; M470-T472 PolarHBondContact O-N 2.7Å; T472-K476 PolarHBondContact O-N 3.15Å |
| 473 | V | 91.5 | Very high | 89.5 | Confident | 14 Ų | 14 | 89 Ų | 89 | 9% | 0.085 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 112 | E433 V436 R469 M470 K475 K476 L477 | E433-V473 HydrophobicContact CB-CG1 4.28Å; E433-V473 HydrophobicContact CG-CG1 4.22Å; V436-V473 HydrophobicContact CB-CG1 3.79Å; V436-V473 HydrophobicContact CG1-CG1 3.9Å; V436-V473 HydrophobicContact CG2-CG1 3.86Å; R469-V473 WeakPolarHBondContact O-CG2 3.41Å; R469-V473 PolarHBondContact O-N 3.01Å; M470-V473 HydrophobicContact CE-CB 4.2Å; M470-V473 HydrophobicContact CE-CG1 4.38Å; M470-V473 PolarHBondContact O-N 3.24Å; V473-K475 VanDerWaalsContact C-N 3.32Å; V473-K475 PolarHBondContact O-N 3.43Å; V473-K476 WeakPolarHBondContact O-CB 3.37Å; V473-K476 PolarHBondContact O-N 3.46Å; V473-K476 VanDerWaalsContact O-N 3.11Å; V473-L477 HydrophobicContact CG1-CD1 3.7Å; V473-L477 HydrophobicContact CG1-CG 4.42Å; V473-L477 PolarHBondContact O-N 2.82Å |
| 474 | L | 89.8 | Confident | 89.5 | Confident | 23 Ų | 23 | 90.8 Ų | 90.8 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 176 | -71.6 | 168.5 | 0 | 0 | 0 | 112 | L440 L450 M470 K476 K478 P479 F490 | L440-L474 HydrophobicContact CD1-CD2 4.06Å; L450-L474 HydrophobicContact CD1-CD2 4.48Å; M470-L474 HydrophobicContact CE-CD1 4.38Å; M470-L474 HydrophobicContact CE-CD2 4.47Å; M470-L474 HydrophobicContact CE-CG 3.97Å; M470-L474 WeakPolarHBondContact O-CB 3.33Å; M470-L474 WeakPolarHBondContact O-CG 3.18Å; M470-L474 PolarHBondContact O-N 2.91Å; L474-K476 VanDerWaalsContact C-N 3.29Å; L474-K476 PolarHBondContact O-N 3.37Å; L474-K478 PolarHBondContact O-N 3.07Å; L474-K478 VanDerWaalsContact O-N 3.15Å; L474-P479 HydrophobicContact CD2-CG 3.93Å; L474-P479 WeakPolarHBondContact O-CD 3.24Å; L474-F490 HydrophobicContact CD1-CD2 4.49Å; L474-F490 HydrophobicContact CD1-CE2 4.18Å; L474-F490 HydrophobicContact CD1-CZ 4.33Å; L474-F490 HydrophobicContact CD2-CD2 4.45Å; L474-F490 HydrophobicContact CD2-CG 4.26Å |
| 475 | K | 88.9 | Confident | 89.2 | Confident | 169 Ų | 169 | 90.4 Ų | 90.4 | 74% | 0.735 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.5 | -34 | 172.9 | -78.9 | 178.1 | -179.6 | -179.1 | 0 | 112.8 | A471 V473 | A471-K475 WeakPolarHBondContact O-CB 3.43Å; A471-K475 VanDerWaalsContact O-CG 3.32Å; A471-K475 WeakPolarHBondContact O-CG 3.43Å; A471-K475 PolarHBondContact O-N 2.91Å; A471-K475 VanDerWaalsContact O-N 3.09Å; V473-K475 VanDerWaalsContact C-N 3.32Å; V473-K475 PolarHBondContact O-N 3.43Å |
| 476 | K | 90.5 | Very high | 89.1 | Confident | 137 Ų | 137 | 93.6 Ų | 93.6 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74.1 | -46.7 | 177.1 | -73.1 | -178.2 | 175.7 | -173.9 | 0 | 112.4 | T472 V473 L474 K478 | T472-K476 PolarHBondContact O-N 3.15Å; V473-K476 WeakPolarHBondContact O-CB 3.37Å; V473-K476 PolarHBondContact O-N 3.46Å; V473-K476 VanDerWaalsContact O-N 3.11Å; L474-K476 VanDerWaalsContact C-N 3.29Å; L474-K476 PolarHBondContact O-N 3.37Å; K476-K478 PolarHBondContact O-N 2.79Å |
| 477 | L | 86.3 | Confident | 89 | Confident | 21 Ų | 21 | 96 Ų | 96 | 11% | 0.11 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -73.7 | -23.7 | -174.5 | -74.3 | 166.5 | 0 | 0 | 0 | 114.1 | E433 V436 R437 V473 | E433-L477 HydrophobicContact CG-CD1 4.19Å; E433-L477 HydrophobicContact CG-CD2 3.86Å; E433-L477 HydrophobicContact CG-CG 3.91Å; V436-L477 HydrophobicContact CB-CD1 4.22Å; V436-L477 HydrophobicContact CG1-CD1 3.82Å; R437-L477 HydrophobicContact CB-CD1 4.17Å; R437-L477 HydrophobicContact CB-CD2 4.01Å; R437-L477 HydrophobicContact CG-CD2 4.19Å; V473-L477 HydrophobicContact CG1-CD1 3.7Å; V473-L477 HydrophobicContact CG1-CG 4.42Å; V473-L477 PolarHBondContact O-N 2.82Å |
| 478 | K | 87.4 | Confident | 88.9 | Confident | 163 Ų | 163 | 96.3 Ų | 96.3 | 71% | 0.709 | 45% | 0.453 | S | S | * | . | trans | 45.2 | 57 | -175.5 | -62.8 | -179.6 | -179.9 | 174 | 0 | 113 | L474 K476 | L474-K478 PolarHBondContact O-N 3.07Å; L474-K478 VanDerWaalsContact O-N 3.15Å; K476-K478 PolarHBondContact O-N 2.79Å | ||
| 479 | P | 86.7 | Confident | 89 | Confident | 14 Ų | 14 | 92.5 Ų | 92.5 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | trans | -66.2 | 157.5 | 178.6 | 29 | -34.2 | 0 | 0 | 0 | 112.1 | L440 L474 Q481 F490 S491 M492 | L440-P479 HydrophobicContact CD1-CB 4.17Å; L440-P479 HydrophobicContact CD1-CG 4.32Å; L474-P479 HydrophobicContact CD2-CG 3.93Å; L474-P479 WeakPolarHBondContact O-CD 3.24Å; P479-Q481 PolarHBondContact O-N 3.5Å; P479-F490 HydrophobicContact CB-CB 4.16Å; P479-F490 HydrophobicContact CG-CB 4.02Å; P479-F490 HydrophobicContact CG-CD1 3.85Å; P479-F490 HydrophobicContact CG-CG 4.27Å; P479-S491 WeakPolarHBondContact CB-O 3.32Å; P479-M492 HydrophobicContact CB-CG 4.17Å; P479-M492 HydrophobicContact CB-SD 3.82Å | ||
| 480 | E | 86.8 | Confident | 89.1 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 129 | 171.8 | -162.7 | -179.9 | -157 | 0 | 0 | 109.3 | F490 S491 | E480-F490 CarbonylContact O-C 3.56Å; E480-F490 WeakPolarHBondContact O-CA 3.43Å; E480-S491 WeakPolarHBondContact CB-O 3.08Å; E480-S491 PolarHBondContact N-O 3.28Å; E480-S491 PolarHBondContact O-N 3.08Å |
| 481 | Q | 89.6 | Confident | 89.1 | Confident | 138 Ų | 138 | 88.7 Ų | 88.7 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.4 | -172.4 | 35.1 | 179.3 | -13.8 | 0 | 0 | 109.5 | P479 Y489 F490 | P479-Q481 PolarHBondContact O-N 3.5Å; Q481-Y489 WeakPolarHBondContact CA-O 3.45Å; Q481-F490 HydrophobicContact CB-CD1 4.24Å; Q481-F490 HydrophobicContact CB-CE1 4.36Å |
| 482 | F | 89.8 | Confident | 88.6 | Confident | 72 Ų | 72 | 89 Ų | 89 | 32% | 0.316 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.5 | 178 | 67.4 | -88.6 | 0 | 0 | 0 | 110.2 | P444 R484 Y489 | P444-F482 HydrophobicContact CB-CE1 3.57Å; P444-F482 HydrophobicContact CB-CZ 3.38Å; P444-F482 HydrophobicContact CG-CE1 4.41Å; P444-F482 HydrophobicContact CG-CZ 3.87Å; F482-R484 HydrophobicContact CE2-CB 4.43Å; F482-Y489 HydrophobicContact CE2-CD2 4.15Å; F482-Y489 HydrophobicContact CE2-CG 4.05Å; F482-Y489 HydrophobicContact CZ-CG 4.13Å; F482-Y489 PolarHBondContact N-O 2.92Å; F482-Y489 VanDerWaalsContact N-O 3.07Å; F482-Y489 PolarHBondContact O-N 2.91Å |
| 483 | R | 90.9 | Very high | 87.5 | Confident | 197 Ų | 197 | 89.2 Ų | 89.2 | 74% | 0.743 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.9 | 176.4 | -87.4 | -176.4 | 163.5 | 165.1 | -5.4 | 110.3 | T487 L488 | R483-T487 WeakPolarHBondContact CA-O 3.39Å; R483-L488 HydrophobicContact CG-CD1 3.95Å |
| 484 | R | 86.7 | Confident | 85.7 | Confident | 171 Ų | 171 | 90.8 Ų | 90.8 | 65% | 0.645 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 124.5 | 170.3 | -159.2 | -179.5 | -171.2 | 172.7 | 3.8 | 108.4 | F482 D486 T487 Y489 | F482-R484 HydrophobicContact CE2-CB 4.43Å; R484-D486 PolarHBondContact O-N 3.07Å; R484-T487 PolarHBondContact N-O 3.42Å; R484-T487 PolarHBondContact O-N 2.98Å; R484-Y489 HydrophobicContact CB-CD2 3.91Å; R484-Y489 HydrophobicContact CB-CE2 3.72Å |
| 485 | N | 82.6 | Confident | 83.6 | Confident | 147 Ų | 147 | 100.5 Ų | 100.5 | 79% | 0.786 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 56.5 | -179.2 | -55.5 | -6.7 | 0 | 0 | 0 | 112.4 | T487 | N485-T487 PolarHBondContact O-N 2.85Å; N485-T487 PolarHBondContact O-OG1 3.11Å |
| 486 | D | 87.6 | Confident | 81.2 | Confident | 156 Ų | 156 | 104.8 Ų | 104.8 | 83% | 0.834 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 1.3 | -176.3 | -69.7 | -29.3 | 0 | 0 | 0 | 117.2 | R484 | R484-D486 PolarHBondContact O-N 3.07Š|
| 487 | T | 89.3 | Confident | 78.7 | Confident | 53 Ų | 53 | 105.3 Ų | 105.3 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.1 | 179.1 | -47.9 | 0 | 0 | 0 | 0 | 109.9 | R483 R484 N485 Y489 | R483-T487 WeakPolarHBondContact CA-O 3.39Å; R484-T487 PolarHBondContact N-O 3.42Å; R484-T487 PolarHBondContact O-N 2.98Å; N485-T487 PolarHBondContact O-N 2.85Å; N485-T487 PolarHBondContact O-OG1 3.11Å; T487-Y489 HydrophobicContact CG2-CE2 4.03Å; T487-Y489 VanDerWaalsContact O-CD2 3.25Å; T487-Y489 WeakPolarHBondContact O-CD2 3.25Å; T487-Y489 WeakPolarHBondContact O-CE2 3.48Å |
| 488 | L | 90.6 | Very high | 78.4 | Confident | 68 Ų | 68 | 109.5 Ų | 109.5 | 36% | 0.356 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 125.9 | 176.7 | -167.8 | 83.6 | 0 | 0 | 0 | 109.9 | R483 F490 | R483-L488 HydrophobicContact CG-CD1 3.95Å; L488-F490 HydrophobicContact CD2-CE1 3.85Å; L488-F490 HydrophobicContact CD2-CE2 4.12Å; L488-F490 HydrophobicContact CD2-CZ 3.42Å; L488-F490 VanDerWaalsContact CD2-CZ 3.42Å; L488-F490 HydrophobicContact CG-CZ 4.29Å |
| 489 | Y | 92.6 | Very high | 77.9 | Confident | 51 Ų | 51 | 106.7 Ų | 106.7 | 20% | 0.2 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.8 | 177.1 | -68.3 | -92.3 | 0 | 0 | 0 | 110.8 | Q481 F482 R484 T487 | Q481-Y489 WeakPolarHBondContact CA-O 3.45Å; F482-Y489 HydrophobicContact CE2-CD2 4.15Å; F482-Y489 HydrophobicContact CE2-CG 4.05Å; F482-Y489 HydrophobicContact CZ-CG 4.13Å; F482-Y489 PolarHBondContact N-O 2.92Å; F482-Y489 VanDerWaalsContact N-O 3.07Å; F482-Y489 PolarHBondContact O-N 2.91Å; R484-Y489 HydrophobicContact CB-CD2 3.91Å; R484-Y489 HydrophobicContact CB-CE2 3.72Å; T487-Y489 HydrophobicContact CG2-CE2 4.03Å; T487-Y489 VanDerWaalsContact O-CD2 3.25Å; T487-Y489 WeakPolarHBondContact O-CD2 3.25Å; T487-Y489 WeakPolarHBondContact O-CE2 3.48Å |
| 490 | F | 91.5 | Very high | 77.4 | Confident | 24 Ų | 24 | 111.8 Ų | 111.8 | 11% | 0.105 | 57% | 0.573 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.5 | 175.4 | -56.5 | -78.5 | 0 | 0 | 0 | 109.8 | L440 P444 L445 C447 L474 P479 E480 Q481 L488 | L440-F490 HydrophobicContact CD2-CB 3.64Å; L440-F490 VanDerWaalsContact CD2-O 3.24Å; L440-F490 WeakPolarHBondContact CD2-O 3.42Å; P444-F490 CarbonylContact C-O 3.54Å; P444-F490 VanDerWaalsContact CA-O 3.24Å; P444-F490 WeakPolarHBondContact CA-O 3.31Å; L445-F490 PolarHBondContact N-O 3.32Å; L445-F490 PolarHBondContact O-N 3.05Å; C447-F490 HydrophobicContact CB-CE2 4.26Å; L474-F490 HydrophobicContact CD1-CD2 4.49Å; L474-F490 HydrophobicContact CD1-CE2 4.18Å; L474-F490 HydrophobicContact CD1-CZ 4.33Å; L474-F490 HydrophobicContact CD2-CD2 4.45Å; L474-F490 HydrophobicContact CD2-CG 4.26Å; P479-F490 HydrophobicContact CB-CB 4.16Å; P479-F490 HydrophobicContact CG-CB 4.02Å; P479-F490 HydrophobicContact CG-CD1 3.85Å; P479-F490 HydrophobicContact CG-CG 4.27Å; E480-F490 CarbonylContact O-C 3.56Å; E480-F490 WeakPolarHBondContact O-CA 3.43Å; Q481-F490 HydrophobicContact CB-CD1 4.24Å; Q481-F490 HydrophobicContact CB-CE1 4.36Å; L488-F490 HydrophobicContact CD2-CE1 3.85Å; L488-F490 HydrophobicContact CD2-CE2 4.12Å; L488-F490 HydrophobicContact CD2-CZ 3.42Å; L488-F490 VanDerWaalsContact CD2-CZ 3.42Å; L488-F490 HydrophobicContact CG-CZ 4.29Å |
| 491 | S | 89 | Confident | 76.9 | Confident | 10 Ų | 10 | 111.8 Ų | 111.8 | 7% | 0.07 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.1 | 141 | -178.2 | 155.6 | 0 | 0 | 0 | 0 | 110 | P479 E480 A493 | P479-S491 WeakPolarHBondContact CB-O 3.32Å; E480-S491 WeakPolarHBondContact CB-O 3.08Å; E480-S491 PolarHBondContact N-O 3.28Å; E480-S491 PolarHBondContact O-N 3.08Å; S491-A493 PolarHBondContact OG-N 3.4Å; S491-A493 VanDerWaalsContact OG-N 3.09Å |
| 492 | M | 81 | Confident | 76.1 | Confident | 52 Ų | 52 | 110.1 Ų | 110.1 | 26% | 0.256 | 57% | 0.571 | S | S | . | * | trans | -108 | 10 | 167.1 | -74.3 | -67.5 | -67 | 0 | 0 | 112.2 | L440 E441 P479 G494 | L440-M492 HydrophobicContact CB-CB 4.05Å; L440-M492 HydrophobicContact CB-CG 3.68Å; L440-M492 HydrophobicContact CD1-CG 4.21Å; L440-M492 PolarHBondContact O-N 3.09Å; L440-M492 VanDerWaalsContact O-N 3.07Å; E441-M492 HydrophobicContact CG-CB 3.92Å; P479-M492 HydrophobicContact CB-CG 4.17Å; P479-M492 HydrophobicContact CB-SD 3.82Å; M492-G494 PolarHBondContact O-N 3.09Å | ||
| 493 | A | 67.7 | Low | 75.1 | Confident | 81 Ų | 81 | 112.7 Ų | 112.7 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | trans | -76.3 | -4.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S491 | S491-A493 PolarHBondContact OG-N 3.4Å; S491-A493 VanDerWaalsContact OG-N 3.09Å | ||
| 494 | G | 54 | Low | 74 | Confident | 46 Ų | 46 | 106.6 Ų | 106.6 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | trans | -111.7 | 81.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M492 | M492-G494 PolarHBondContact O-N 3.09Š| ||
| 495 | R | 45.8 | Very low | 73 | Confident | 228 Ų | 228 | 101.7 Ų | 101.7 | 86% | 0.86 | 57% | 0.572 | S | S | * | * | trans | -165.7 | 29.9 | 154.4 | -133.6 | -174 | -77.3 | -163.7 | -1.1 | 115.5 | ||||
| 496 | R | 39.2 | Very low | 72.2 | Confident | 258 Ų | 258 | 97.9 Ų | 97.9 | 97% | 0.974 | 55% | 0.554 | S | S | * | * | trans | -103.2 | 76.1 | 158.8 | -69.8 | -172.3 | -161.9 | 169.2 | 6.1 | 107.5 | ||||
| 497 | G | 38.6 | Very low | 70.8 | Confident | 148 Ų | 148 | 92.6 Ų | 92.6 | 100% | 1.526 | 53% | 0.529 | S | S | * | . | trans | -114.9 | 0 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 497 of 497 residues in 393 ms
(Link to these results)