| 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 | 50.6 | Low | 79.1 | Confident | 205 Ų | 205 | 101.2 Ų | 101.2 | 100% | 1.01 | 48% | 0.482 | S | S | * | . | 0 | 120.6 | 0 | -82.4 | -179.2 | -164.9 | 0 | 0 | 107.2 | |||||
| 2 | F | 65.9 | Low | 79.8 | Confident | 141 Ų | 141 | 98.3 Ų | 98.3 | 62% | 0.618 | 46% | 0.463 | S | S | * | . | trans | -91.2 | 115 | 179.1 | -59.8 | -76.3 | 0 | 0 | 0 | 109.3 | P16 P95 | F2-P16 HydrophobicContact CE1-CG 4.04Å; F2-P95 WeakPolarHBondContact O-CD 3.47Å; F2-P95 WeakPolarHBondContact O-CG 3.36Å | ||
| 3 | L | 81.6 | Confident | 80.4 | Confident | 35 Ų | 35 | 97.8 Ų | 97.8 | 18% | 0.183 | 47% | 0.473 | C | S | . | . | trans | -66.1 | 151 | 173.6 | -75.5 | 139.1 | 0 | 0 | 0 | 110.1 | I14 Y44 V77 I92 | L3-I14 HydrophobicContact CB-CD1 4.03Å; L3-I14 WeakPolarHBondContact O-CB 3.43Å; L3-I14 PolarHBondContact O-N 3.1Å; L3-Y44 HydrophobicContact CD1-CE2 4.47Å; L3-V77 HydrophobicContact CD2-CG2 3.63Å; L3-I92 HydrophobicContact CD2-CG2 3.95Å | ||
| 4 | T | 87.2 | Confident | 80.8 | Confident | 30 Ų | 30 | 91.5 Ų | 91.5 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.4 | 178 | 51.8 | 0 | 0 | 0 | 0 | 111 | Y12 T93 | T4-Y12 CarbonylContact C-O 3.6Å; T4-Y12 VanDerWaalsContact CA-O 3.29Å; T4-Y12 WeakPolarHBondContact CA-O 3.47Å; T4-T93 PolarHBondContact N-O 3.02Å; T4-T93 PolarHBondContact O-N 3.34Å; T4-T93 PolarHBondContact O-OG1 3.03Å; T4-T93 PolarHBondContact OG1-O 3.22Å; T4-T93 PolarHBondContact OG1-OG1 3.43Å |
| 5 | M | 88.8 | Confident | 81 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 115.6 | 168.5 | -174.5 | 176.3 | 77.7 | 0 | 0 | 108.6 | Y12 I14 I21 I28 L81 F83 Y90 E91 I92 | M5-Y12 HydrophobicContact CE-CD2 4.46Å; M5-Y12 PolarHBondContact N-O 2.88Å; M5-Y12 WeakPolarHBondContact O-CD2 3.49Å; M5-Y12 PolarHBondContact O-N 3.35Å; M5-I14 HydrophobicContact CB-CD1 4.46Å; M5-I14 HydrophobicContact CB-CG1 4.45Å; M5-I21 HydrophobicContact CE-CD1 4.44Å; M5-I21 HydrophobicContact SD-CD1 4.38Å; M5-I28 HydrophobicContact CE-CD1 3.6Å; M5-I28 HydrophobicContact CE-CG2 3.79Å; M5-L81 HydrophobicContact SD-CD1 4.01Å; M5-F83 HydrophobicContact CE-CE2 4.36Å; M5-F83 HydrophobicContact SD-CE2 4.14Å; M5-F83 HydrophobicContact SD-CZ 4.36Å; M5-Y90 HydrophobicContact CE-CD1 3.48Å; M5-Y90 VanDerWaalsContact CE-CD1 3.48Å; M5-Y90 HydrophobicContact CE-CE1 3.96Å; M5-Y90 HydrophobicContact CE-CG 4Å; M5-Y90 HydrophobicContact CG-CD1 4.09Å; M5-Y90 HydrophobicContact CG-CG 4.26Å; M5-Y90 HydrophobicContact SD-CD1 4.07Å; M5-Y90 HydrophobicContact SD-CG 4.06Å; M5-E91 CarbonylContact C-O 3.6Å; M5-E91 WeakPolarHBondContact CA-O 3.36Å; M5-I92 HydrophobicContact CB-CD1 4.28Å; M5-I92 HydrophobicContact CG-CD1 4.35Å |
| 6 | K | 88.1 | Confident | 80.7 | Confident | 99 Ų | 99 | 88.2 Ų | 88.2 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.2 | -174 | -170.2 | -179.4 | 178.9 | -177.3 | 0 | 111.1 | W10 Y90 E91 T93 | K6-W10 WeakPolarHBondContact CA-O 3.41Å; K6-W10 WeakPolarHBondContact CG-O 3.49Å; K6-Y90 CarbonylContact O-C 3.5Å; K6-Y90 WeakPolarHBondContact O-CA 3.47Å; K6-E91 PolarHBondContact N-O 2.9Å; K6-E91 PolarHBondContact O-N 3.49Å; K6-T93 HydrophobicContact CB-CG2 4.34Å |
| 7 | A | 85.7 | Confident | 80.9 | Confident | 6 Ų | 6 | 92.3 Ų | 92.3 | 5% | 0.05 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | K9 W10 T88 Y90 | A7-K9 PolarHBondContact O-N 3.46Å; A7-K9 VanDerWaalsContact O-N 3.07Å; A7-W10 PolarHBondContact N-O 3.44Å; A7-W10 PolarHBondContact O-N 3.49Å; A7-W10 VanDerWaalsContact O-O 3.12Å; A7-T88 HydrophobicContact CB-CG2 3.83Å; A7-Y90 HydrophobicContact CB-CD1 3.32Å; A7-Y90 HydrophobicContact CB-CE1 3.54Å; A7-Y90 HydrophobicContact CB-CG 3.99Å |
| 8 | M | 79.4 | Confident | 81.5 | Confident | 157 Ų | 157 | 91.9 Ų | 91.9 | 77% | 0.773 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -114.4 | -175.8 | -59.2 | -174.2 | 172.4 | 0 | 0 | 111.8 | ||
| 9 | K | 77.2 | Confident | 82 | Confident | 203 Ų | 203 | 87.2 Ų | 87.2 | 88% | 0.883 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 0.2 | 178.8 | -64.2 | -172.8 | 179 | -177.7 | 0 | 113.8 | A7 | A7-K9 PolarHBondContact O-N 3.46Å; A7-K9 VanDerWaalsContact O-N 3.07Å |
| 10 | W | 78.4 | Confident | 82.7 | Confident | 177 Ų | 177 | 84.8 Ų | 84.8 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.4 | -174.2 | -63.7 | 82.7 | 0 | 0 | 0 | 111.1 | K6 A7 Y12 | K6-W10 WeakPolarHBondContact CA-O 3.41Å; K6-W10 WeakPolarHBondContact CG-O 3.49Å; A7-W10 PolarHBondContact N-O 3.44Å; A7-W10 PolarHBondContact O-N 3.49Å; A7-W10 VanDerWaalsContact O-O 3.12Å; W10-Y12 HydrophobicContact CB-CE2 3.86Å |
| 11 | A | 86.8 | Confident | 83.2 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 12 | Y | 87.8 | Confident | 85.3 | Confident | 67 Ų | 67 | 71 Ų | 71 | 26% | 0.263 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.1 | -178.4 | -58.3 | -85.8 | 0 | 0 | 0 | 109 | T4 M5 W10 I28 Y90 | T4-Y12 CarbonylContact C-O 3.6Å; T4-Y12 VanDerWaalsContact CA-O 3.29Å; T4-Y12 WeakPolarHBondContact CA-O 3.47Å; M5-Y12 HydrophobicContact CE-CD2 4.46Å; M5-Y12 PolarHBondContact N-O 2.88Å; M5-Y12 WeakPolarHBondContact O-CD2 3.49Å; M5-Y12 PolarHBondContact O-N 3.35Å; W10-Y12 HydrophobicContact CB-CE2 3.86Å; Y12-I28 HydrophobicContact CD1-CG2 4.15Å; Y12-I28 HydrophobicContact CG-CG2 4.24Å; Y12-Y90 HydrophobicContact CE2-CE1 4.12Å |
| 13 | P | 87.7 | Confident | 86.4 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.2 | 177.1 | 27.6 | -32.3 | 0 | 0 | 0 | 110.7 | ||
| 14 | I | 86.3 | Confident | 86.6 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -87 | 126.4 | 175.4 | -57.8 | 178.9 | 0 | 0 | 0 | 108 | L3 M5 T19 I42 L51 I92 | L3-I14 HydrophobicContact CB-CD1 4.03Å; L3-I14 WeakPolarHBondContact O-CB 3.43Å; L3-I14 PolarHBondContact O-N 3.1Å; M5-I14 HydrophobicContact CB-CD1 4.46Å; M5-I14 HydrophobicContact CB-CG1 4.45Å; I14-T19 VanDerWaalsContact CG2-OG1 3.3Å; I14-T19 WeakPolarHBondContact CG2-OG1 3.49Å; I14-I42 HydrophobicContact CG2-CG2 4.18Å; I14-L51 HydrophobicContact CD1-CD2 4.09Å; I14-L51 HydrophobicContact CG2-CD1 4.22Å; I14-I92 HydrophobicContact CD1-CD1 3.76Å |
| 15 | C | 83.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 153.7 | -178.8 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | R17 I18 T19 | C15-R17 PolarHBondContact O-N 2.94Å; C15-R17 VanDerWaalsContact O-N 3.13Å; C15-I18 WeakPolarHBondContact CB-O 3.42Å; C15-T19 WeakPolarHBondContact CB-OG1 3.22Å; C15-T19 PolarHBondContact N-OG1 3.46Å |
| 16 | P | 76.5 | Confident | 86.6 | Confident | 85 Ų | 85 | 72.2 Ų | 72.2 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -70.8 | -11.6 | -169 | -16 | 30 | 0 | 0 | 0 | 115.6 | F2 Y44 | F2-P16 HydrophobicContact CE1-CG 4.04Å; P16-Y44 WeakPolarHBondContact O-CD1 3.39Å |
| 17 | R | 84.2 | Confident | 86.7 | Confident | 158 Ų | 158 | 72 Ų | 72 | 60% | 0.596 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -128.8 | -63.5 | 179.4 | -82.3 | -173.1 | 169.7 | 175.3 | -0.2 | 111.3 | C15 E43 Y44 | C15-R17 PolarHBondContact O-N 2.94Å; C15-R17 VanDerWaalsContact O-N 3.13Å; R17-E43 CarbonylContact O-C 3.58Å; R17-E43 WeakPolarHBondContact O-CA 3.38Å; R17-Y44 PolarHBondContact O-N 2.96Å |
| 18 | I | 91.3 | Very high | 86.9 | Confident | 86 Ų | 86 | 72 Ų | 72 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.9 | -176.5 | -67 | 173.6 | 0 | 0 | 0 | 108.2 | C15 T20 V41 I42 E43 | C15-I18 WeakPolarHBondContact CB-O 3.42Å; I18-T20 HydrophobicContact CG2-CG2 4.34Å; I18-V41 HydrophobicContact CG2-CG1 3.65Å; I18-I42 CarbonylContact C-O 3.5Å; I18-E43 HydrophobicContact CG1-CG 4.04Å |
| 19 | T | 92.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.6 | 173.7 | -51 | 0 | 0 | 0 | 0 | 108.8 | I14 C15 D27 I28 V41 I42 | I14-T19 VanDerWaalsContact CG2-OG1 3.3Å; I14-T19 WeakPolarHBondContact CG2-OG1 3.49Å; C15-T19 WeakPolarHBondContact CB-OG1 3.22Å; C15-T19 PolarHBondContact N-OG1 3.46Å; T19-D27 WeakPolarHBondContact CA-OD2 3.49Å; T19-D27 HydrophobicContact CG2-CB 4.02Å; T19-I28 HydrophobicContact CG2-CD1 3.73Å; T19-I28 HydrophobicContact CG2-CG1 3.91Å; T19-V41 WeakPolarHBondContact O-CA 3.33Å; T19-I42 PolarHBondContact N-O 3.03Å; T19-I42 PolarHBondContact O-N 3.08Å |
| 20 | T | 94.7 | Very high | 88.1 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 141.4 | 179.2 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | I18 C26 D27 I28 V41 | I18-T20 HydrophobicContact CG2-CG2 4.34Å; T20-C26 WeakPolarHBondContact OG1-CA 3.46Å; T20-D27 PolarHBondContact N-OD2 3.22Å; T20-D27 PolarHBondContact O-N 2.97Å; T20-D27 PolarHBondContact OG1-N 2.96Å; T20-D27 PolarHBondContact OG1-OD2 3.05Å; T20-I28 PolarHBondContact O-N 2.97Å; T20-V41 HydrophobicContact CG2-CG2 4.21Å |
| 21 | I | 94.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.6 | -177.4 | -52.4 | -178.8 | 0 | 0 | 0 | 109.4 | M5 I28 I30 H39 A40 I42 F83 | M5-I21 HydrophobicContact CE-CD1 4.44Å; M5-I21 HydrophobicContact SD-CD1 4.38Å; I21-I28 WeakPolarHBondContact CA-O 3.38Å; I21-I28 HydrophobicContact CG1-CB 4.27Å; I21-I28 HydrophobicContact CG1-CD1 4.48Å; I21-I30 HydrophobicContact CG2-CD1 3.66Å; I21-I30 HydrophobicContact CG2-CG1 4.29Å; I21-H39 WeakPolarHBondContact O-CA 3.38Å; I21-H39 WeakPolarHBondContact O-CB 3.33Å; I21-H39 PolarHBondContact O-N 3.34Å; I21-A40 PolarHBondContact N-O 3.06Å; I21-A40 PolarHBondContact O-N 3.23Å; I21-I42 HydrophobicContact CD1-CD1 3.74Å; I21-I42 HydrophobicContact CD1-CG1 4.04Å; I21-F83 HydrophobicContact CD1-CE1 3.83Å; I21-F83 HydrophobicContact CD1-CE2 4.1Å; I21-F83 HydrophobicContact CD1-CZ 3.37Å; I21-F83 HydrophobicContact CG2-CD1 4.31Å; I21-F83 HydrophobicContact CG2-CD2 4.29Å; I21-F83 HydrophobicContact CG2-CE1 4.19Å; I21-F83 HydrophobicContact CG2-CE2 4.19Å; I21-F83 HydrophobicContact CG2-CG 4.34Å; I21-F83 HydrophobicContact CG2-CZ 4.14Å |
| 22 | G | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -172.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I28 I29 I30 D36 Q37 | G22-I28 PolarHBondContact N-O 3.45Å; G22-I29 CarbonylContact O-C 3.36Å; G22-I29 WeakPolarHBondContact O-CA 3.42Å; G22-I30 PolarHBondContact O-N 3.34Å; G22-D36 CarbonylContact C-O 3.6Å; G22-D36 WeakPolarHBondContact CA-O 3.27Å; G22-Q37 WeakPolarHBondContact CA-O 3.37Å |
| 23 | K | 90.3 | Very high | 88.5 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -83 | -31.8 | -177.1 | -170.8 | -179.5 | 177 | -175.8 | 0 | 113.7 | I29 D36 Q37 | K23-I29 WeakPolarHBondContact O-CG2 3.43Å; K23-D36 PolarHBondContact N-O 3.25Å; K23-Q37 PolarHBondContact N-O 3.06Å |
| 24 | T | 84 | Confident | 88.6 | Confident | 72 Ų | 72 | 56 Ų | 56 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -150 | 131.7 | -176.6 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | Q37 | T24-Q37 WeakPolarHBondContact OG1-CG 3.42Š|
| 25 | G | 85.8 | Confident | 88.9 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 73% | 0.732 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 74.8 | 33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 26 | C | 91.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.095 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -123.6 | 161.2 | 177 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | T20 I28 I29 Q37 | T20-C26 WeakPolarHBondContact OG1-CA 3.46Å; C26-I28 VanDerWaalsContact C-N 3.28Å; C26-I28 PolarHBondContact O-N 3.49Å; C26-I29 VanDerWaalsContact O-CG1 3.3Å; C26-I29 WeakPolarHBondContact O-CG1 3.43Å; C26-Q37 PolarHBondContact SG-O 3.46Å |
| 27 | D | 90.2 | Very high | 90 | Very high | 94 Ų | 94 | 56.9 Ų | 56.9 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -61.3 | -39.2 | 178.1 | -56.6 | -58.5 | 0 | 0 | 0 | 111.5 | T19 T20 | T19-D27 WeakPolarHBondContact CA-OD2 3.49Å; T19-D27 HydrophobicContact CG2-CB 4.02Å; T20-D27 PolarHBondContact N-OD2 3.22Å; T20-D27 PolarHBondContact O-N 2.97Å; T20-D27 PolarHBondContact OG1-N 2.96Å; T20-D27 PolarHBondContact OG1-OD2 3.05Å |
| 28 | I | 90.5 | Very high | 90.3 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 107.8 | 173.8 | -53 | -179.9 | 0 | 0 | 0 | 109.3 | M5 Y12 T19 T20 I21 G22 C26 I30 | M5-I28 HydrophobicContact CE-CD1 3.6Å; M5-I28 HydrophobicContact CE-CG2 3.79Å; Y12-I28 HydrophobicContact CD1-CG2 4.15Å; Y12-I28 HydrophobicContact CG-CG2 4.24Å; T19-I28 HydrophobicContact CG2-CD1 3.73Å; T19-I28 HydrophobicContact CG2-CG1 3.91Å; T20-I28 PolarHBondContact O-N 2.97Å; I21-I28 WeakPolarHBondContact CA-O 3.38Å; I21-I28 HydrophobicContact CG1-CB 4.27Å; I21-I28 HydrophobicContact CG1-CD1 4.48Å; G22-I28 PolarHBondContact N-O 3.45Å; C26-I28 VanDerWaalsContact C-N 3.28Å; C26-I28 PolarHBondContact O-N 3.49Å; I28-I30 HydrophobicContact CG2-CG1 4.46Å |
| 29 | I | 90.6 | Very high | 90.4 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.9 | -179.3 | -59.7 | 178.9 | 0 | 0 | 0 | 110.2 | G22 K23 C26 | G22-I29 CarbonylContact O-C 3.36Å; G22-I29 WeakPolarHBondContact O-CA 3.42Å; K23-I29 WeakPolarHBondContact O-CG2 3.43Å; C26-I29 VanDerWaalsContact O-CG1 3.3Å; C26-I29 WeakPolarHBondContact O-CG1 3.43Å |
| 30 | I | 89.9 | Confident | 90.5 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -111.3 | 104.1 | 174.6 | -55.8 | 177.2 | 0 | 0 | 0 | 108.4 | I21 G22 I28 N32 V35 F83 Y90 | I21-I30 HydrophobicContact CG2-CD1 3.66Å; I21-I30 HydrophobicContact CG2-CG1 4.29Å; G22-I30 PolarHBondContact O-N 3.34Å; I28-I30 HydrophobicContact CG2-CG1 4.46Å; I30-N32 VanDerWaalsContact C-N 3.27Å; I30-N32 HydrophobicContact CG2-CB 4.23Å; I30-N32 PolarHBondContact O-N 2.76Å; I30-V35 HydrophobicContact CB-CG1 4.46Å; I30-V35 HydrophobicContact CG2-CG2 4.08Å; I30-F83 HydrophobicContact CD1-CB 4.21Å; I30-F83 HydrophobicContact CD1-CD2 3.39Å; I30-F83 HydrophobicContact CD1-CE2 4.02Å; I30-F83 HydrophobicContact CD1-CG 4.01Å; I30-Y90 HydrophobicContact CD1-CE1 4.48Å; I30-Y90 HydrophobicContact CD1-CE2 3.9Å | ||
| 31 | D | 86.2 | Confident | 90.5 | Very high | 140 Ų | 140 | 51 Ų | 51 | 75% | 0.749 | 29% | 0.288 | S | S | * | . | trans | -77 | 76.4 | 178.5 | -170.8 | 19.7 | 0 | 0 | 0 | 111.5 | ||||
| 32 | N | 87.2 | Confident | 90.5 | Very high | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | trans | -135.7 | 131.2 | 173.6 | -172.3 | -59.9 | 0 | 0 | 0 | 109.9 | I30 T34 V35 | I30-N32 VanDerWaalsContact C-N 3.27Å; I30-N32 HydrophobicContact CG2-CB 4.23Å; I30-N32 PolarHBondContact O-N 2.76Å; N32-T34 PolarHBondContact O-N 3.05Å; N32-T34 WeakPolarHBondContact OD1-CB 3.43Å; N32-T34 PolarHBondContact OD1-N 3.31Å; N32-T34 PolarHBondContact OD1-OG1 3.07Å; N32-V35 HydrophobicContact CB-CG2 4.03Å; N32-V35 PolarHBondContact O-N 3.48Å | ||
| 33 | P | 88 | Confident | 90.4 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.7 | -178.3 | 24.2 | -33.1 | 0 | 0 | 0 | 114.6 | ||
| 34 | T | 89.9 | Confident | 90.2 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 23% | 0.233 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8 | 176 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | N32 C85 | N32-T34 PolarHBondContact O-N 3.05Å; N32-T34 WeakPolarHBondContact OD1-CB 3.43Å; N32-T34 PolarHBondContact OD1-N 3.31Å; N32-T34 PolarHBondContact OD1-OG1 3.07Å; T34-C85 HydrophobicContact CG2-CB 4.05Å; T34-C85 PolarHBondContact OG1-N 3.2Å; T34-C85 VanDerWaalsContact OG1-N 3.08Å |
| 35 | V | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -94.1 | 137.1 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | I30 N32 H39 F83 | I30-V35 HydrophobicContact CB-CG1 4.46Å; I30-V35 HydrophobicContact CG2-CG2 4.08Å; N32-V35 HydrophobicContact CB-CG2 4.03Å; N32-V35 PolarHBondContact O-N 3.48Å; V35-H39 HydrophobicContact CG1-CB 3.79Å; V35-F83 HydrophobicContact CG2-CB 4.14Å |
| 36 | D | 92 | Very high | 89.6 | Confident | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | trans | -83.4 | 164.7 | -178.8 | -76 | -30.3 | 0 | 0 | 0 | 111.1 | G22 K23 Q38 H39 S58 R59 | G22-D36 CarbonylContact C-O 3.6Å; G22-D36 WeakPolarHBondContact CA-O 3.27Å; K23-D36 PolarHBondContact N-O 3.25Å; D36-Q38 VanDerWaalsContact C-N 3.29Å; D36-Q38 PolarHBondContact O-N 3.35Å; D36-H39 PolarHBondContact N-ND1 3.37Å; D36-S58 WeakPolarHBondContact OD2-CA 3.42Å; D36-R59 IonicContact OD1-CZ 3.8Å; D36-R59 IonicContact OD1-NE 2.68Å; D36-R59 PolarHBondContact OD1-NE 3.08Å; D36-R59 IonicContact OD1-NH2 2.79Å; D36-R59 PolarHBondContact OD1-NH2 3.21Å; D36-R59 PolarHBondContact OD2-N 3.42Å; D36-R59 IonicContact OD2-NE 3.9Å | ||
| 37 | Q | 90.2 | Very high | 88.8 | Confident | 136 Ų | 136 | 59.7 Ų | 59.7 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -55.7 | -45 | -179 | -73 | -178 | -33.6 | 0 | 0 | 111.9 | G22 K23 T24 C26 | G22-Q37 WeakPolarHBondContact CA-O 3.37Å; K23-Q37 PolarHBondContact N-O 3.06Å; T24-Q37 WeakPolarHBondContact OG1-CG 3.42Å; C26-Q37 PolarHBondContact SG-O 3.46Å |
| 38 | Q | 91.5 | Very high | 88.1 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -121.7 | 111.3 | 165.8 | -66.5 | -175.5 | -15.2 | 0 | 0 | 108 | D36 L56 | D36-Q38 VanDerWaalsContact C-N 3.29Å; D36-Q38 PolarHBondContact O-N 3.35Å; Q38-L56 HydrophobicContact CB-CD1 3.96Å |
| 39 | H | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -107.4 | -50.1 | -167.6 | -168.1 | 93.5 | 0 | 0 | 0 | 112.2 | I21 V35 D36 L56 S58 G61 T62 F83 G84 | I21-H39 WeakPolarHBondContact O-CA 3.38Å; I21-H39 WeakPolarHBondContact O-CB 3.33Å; I21-H39 PolarHBondContact O-N 3.34Å; V35-H39 HydrophobicContact CG1-CB 3.79Å; D36-H39 PolarHBondContact N-ND1 3.37Å; H39-L56 PolarHBondContact O-N 3.5Å; H39-S58 VanDerWaalsContact CE1-CB 3.41Å; H39-S58 WeakPolarHBondContact CE1-CB 3.2Å; H39-S58 PolarHBondContact CE1-OG 2.95Å; H39-S58 VanDerWaalsContact ND1-CB 3.28Å; H39-S58 WeakPolarHBondContact ND1-CB 3.45Å; H39-S58 PolarHBondContact NE2-OG 3.4Å; H39-G61 PolarHBondContact NE2-O 2.69Å; H39-T62 PolarHBondContact CD2-OG1 3.15Å; H39-T62 VanDerWaalsContact CD2-OG1 3.3Å; H39-T62 PolarHBondContact NE2-OG1 3.32Å; H39-F83 AromaticContact CD2-CD1 3.7Å; H39-G84 PolarHBondContact CE1-N 3.3Å; H39-G84 PolarHBondContact NE2-N 3.28Å; H39-G84 VanDerWaalsContact NE2-N 3.18Å | ||
| 40 | A | 94.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 161.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I21 R54 T62 F83 | I21-A40 PolarHBondContact N-O 3.06Å; I21-A40 PolarHBondContact O-N 3.23Å; A40-R54 WeakPolarHBondContact CA-O 3.23Å; A40-T62 HydrophobicContact CB-CG2 4.42Å; A40-F83 HydrophobicContact CB-CD1 4.15Å; A40-F83 HydrophobicContact CB-CE1 3.85Å |
| 41 | V | 94.6 | Very high | 86.8 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.3 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | I18 T19 T20 L53 R54 L56 | I18-V41 HydrophobicContact CG2-CG1 3.65Å; T19-V41 WeakPolarHBondContact O-CA 3.33Å; T20-V41 HydrophobicContact CG2-CG2 4.21Å; V41-L53 CarbonylContact O-C 3.58Å; V41-L53 WeakPolarHBondContact O-CA 3.09Å; V41-R54 PolarHBondContact N-O 3.23Å; V41-R54 PolarHBondContact O-N 3.03Å; V41-L56 HydrophobicContact CG2-CD1 3.72Å; V41-L56 HydrophobicContact CG2-CD2 4.09Å; V41-L56 HydrophobicContact CG2-CG 4.02Å |
| 42 | I | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.3 | 169.4 | -61.8 | 179.1 | 0 | 0 | 0 | 108.1 | I14 I18 T19 I21 L51 T52 L53 L75 L81 | I14-I42 HydrophobicContact CG2-CG2 4.18Å; I18-I42 CarbonylContact C-O 3.5Å; T19-I42 PolarHBondContact N-O 3.03Å; T19-I42 PolarHBondContact O-N 3.08Å; I21-I42 HydrophobicContact CD1-CD1 3.74Å; I21-I42 HydrophobicContact CD1-CG1 4.04Å; I42-L51 HydrophobicContact CG2-CD1 3.48Å; I42-L51 VanDerWaalsContact CG2-CD1 3.48Å; I42-L51 HydrophobicContact CG2-CD2 3.98Å; I42-L51 HydrophobicContact CG2-CG 3.64Å; I42-T52 CarbonylContact C-O 3.44Å; I42-T52 VanDerWaalsContact CA-O 3.26Å; I42-T52 WeakPolarHBondContact CA-O 3.36Å; I42-L53 HydrophobicContact CD1-CD1 4.21Å; I42-L53 HydrophobicContact CG1-CB 4.3Å; I42-L53 HydrophobicContact CG1-CD1 3.9Å; I42-L53 HydrophobicContact CG1-CG 4.34Å; I42-L75 HydrophobicContact CD1-CD1 4.07Å; I42-L75 HydrophobicContact CG1-CD1 4.26Å; I42-L75 HydrophobicContact CG2-CD1 4.38Å; I42-L81 HydrophobicContact CD1-CD1 4.17Å |
| 43 | E | 91.4 | Very high | 87.4 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.8 | 178.8 | -172 | 169.9 | -158.2 | 0 | 0 | 109.6 | R17 I18 L51 T52 | R17-E43 CarbonylContact O-C 3.58Å; R17-E43 WeakPolarHBondContact O-CA 3.38Å; I18-E43 HydrophobicContact CG1-CG 4.04Å; E43-L51 CarbonylContact O-C 3.57Å; E43-L51 WeakPolarHBondContact O-CA 3.28Å; E43-T52 PolarHBondContact N-O 3.16Å; E43-T52 PolarHBondContact O-N 3.13Å; E43-T52 PolarHBondContact O-OG1 3.47Å |
| 44 | Y | 87.5 | Confident | 87.7 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 29% | 0.286 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.1 | 174.9 | 179.6 | -101.9 | 0 | 0 | 0 | 108.8 | L3 P16 R17 P46 L51 | L3-Y44 HydrophobicContact CD1-CE2 4.47Å; P16-Y44 WeakPolarHBondContact O-CD1 3.39Å; R17-Y44 PolarHBondContact O-N 2.96Å; Y44-P46 HydrophobicContact CE1-CB 4.13Å; Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å; Y44-L51 HydrophobicContact CD2-CD1 3.94Å; Y44-L51 HydrophobicContact CG-CD1 4.36Å |
| 45 | D | 82.7 | Confident | 87.9 | Confident | 58 Ų | 58 | 55 Ų | 55 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.5 | 175.1 | -178.5 | 0.4 | 0 | 0 | 0 | 109.7 | S47 N48 G49 L50 | D45-S47 VanDerWaalsContact CG-OG 3.23Å; D45-S47 PolarHBondContact O-N 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.48Å; D45-S47 PolarHBondContact OD1-N 3.15Å; D45-S47 PolarHBondContact OD1-OG 3.05Å; D45-S47 PolarHBondContact OD2-OG 3.4Å; D45-N48 PolarHBondContact O-N 3.18Å; D45-N48 PolarHBondContact OD2-ND2 3.44Å; D45-G49 WeakPolarHBondContact O-CA 3.26Å; D45-G49 PolarHBondContact O-N 3.32Å; D45-L50 PolarHBondContact N-O 3.46Å |
| 46 | P | 73.2 | Confident | 87.9 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.7 | -178.5 | 28.5 | -35.3 | 0 | 0 | 0 | 113.1 | Y44 | Y44-P46 HydrophobicContact CE1-CB 4.13Å; Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å |
| 47 | S | 75.3 | Confident | 87.6 | Confident | 92 Ų | 92 | 62.8 Ų | 62.8 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -34.8 | -178.6 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | D45 | D45-S47 VanDerWaalsContact CG-OG 3.23Å; D45-S47 PolarHBondContact O-N 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.48Å; D45-S47 PolarHBondContact OD1-N 3.15Å; D45-S47 PolarHBondContact OD1-OG 3.05Å; D45-S47 PolarHBondContact OD2-OG 3.4Å |
| 48 | N | 75.3 | Confident | 87.6 | Confident | 113 Ų | 113 | 56.5 Ų | 56.5 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -12.3 | -178.8 | -62.3 | -47.4 | 0 | 0 | 0 | 113.3 | D45 L50 | D45-N48 PolarHBondContact O-N 3.18Å; D45-N48 PolarHBondContact OD2-ND2 3.44Å; N48-L50 HydrophobicContact CB-CB 4.46Å; N48-L50 HydrophobicContact CB-CD1 3.69Å; N48-L50 PolarHBondContact O-N 2.99Å |
| 49 | G | 73.5 | Confident | 87.4 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 24.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | D45 | D45-G49 WeakPolarHBondContact O-CA 3.26Å; D45-G49 PolarHBondContact O-N 3.32Å |
| 50 | L | 82.3 | Confident | 87.3 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.9 | 179.6 | -95.7 | 98.4 | 0 | 0 | 0 | 111.1 | D45 N48 R74 | D45-L50 PolarHBondContact N-O 3.46Å; N48-L50 HydrophobicContact CB-CB 4.46Å; N48-L50 HydrophobicContact CB-CD1 3.69Å; N48-L50 PolarHBondContact O-N 2.99Å; L50-R74 VanDerWaalsContact CD2-CD 3.47Å; L50-R74 HydrophobicContact CD2-CG 3.89Å |
| 51 | L | 88.2 | Confident | 87.2 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.1 | 169.9 | -163.3 | 73.4 | 0 | 0 | 0 | 108.7 | I14 I42 E43 Y44 L75 I92 | I14-L51 HydrophobicContact CD1-CD2 4.09Å; I14-L51 HydrophobicContact CG2-CD1 4.22Å; I42-L51 HydrophobicContact CG2-CD1 3.48Å; I42-L51 VanDerWaalsContact CG2-CD1 3.48Å; I42-L51 HydrophobicContact CG2-CD2 3.98Å; I42-L51 HydrophobicContact CG2-CG 3.64Å; E43-L51 CarbonylContact O-C 3.57Å; E43-L51 WeakPolarHBondContact O-CA 3.28Å; Y44-L51 HydrophobicContact CD2-CD1 3.94Å; Y44-L51 HydrophobicContact CG-CD1 4.36Å; L51-L75 HydrophobicContact CB-CB 4.21Å; L51-L75 HydrophobicContact CD2-CB 3.92Å; L51-L75 HydrophobicContact CD2-CD1 3.96Å; L51-L75 HydrophobicContact CG-CB 4.2Å; L51-L75 HydrophobicContact CG-CD1 4.37Å; L51-L75 PolarHBondContact O-N 3.49Å; L51-I92 HydrophobicContact CD2-CD1 4.36Å; L51-I92 HydrophobicContact CD2-CG2 4.38Å |
| 52 | T | 92.1 | Very high | 87.2 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.6 | 177.7 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | I42 E43 I72 V73 | I42-T52 CarbonylContact C-O 3.44Å; I42-T52 VanDerWaalsContact CA-O 3.26Å; I42-T52 WeakPolarHBondContact CA-O 3.36Å; E43-T52 PolarHBondContact N-O 3.16Å; E43-T52 PolarHBondContact O-N 3.13Å; E43-T52 PolarHBondContact O-OG1 3.47Å; T52-I72 HydrophobicContact CG2-CG2 4.04Å; T52-V73 CarbonylContact C-O 3.58Å; T52-V73 VanDerWaalsContact CA-O 3.3Å; T52-V73 WeakPolarHBondContact CA-O 3.33Å |
| 53 | L | 93.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.7 | 175.6 | 173.8 | 145.3 | 0 | 0 | 0 | 109.5 | V41 I42 T62 V64 V69 V73 L75 L81 F83 | V41-L53 CarbonylContact O-C 3.58Å; V41-L53 WeakPolarHBondContact O-CA 3.09Å; I42-L53 HydrophobicContact CD1-CD1 4.21Å; I42-L53 HydrophobicContact CG1-CB 4.3Å; I42-L53 HydrophobicContact CG1-CD1 3.9Å; I42-L53 HydrophobicContact CG1-CG 4.34Å; L53-T62 HydrophobicContact CD1-CG2 4.26Å; L53-T62 HydrophobicContact CD2-CG2 3.85Å; L53-V64 HydrophobicContact CD2-CG2 4.01Å; L53-V69 HydrophobicContact CD2-CB 4.35Å; L53-V69 HydrophobicContact CD2-CG1 4.08Å; L53-V69 HydrophobicContact CD2-CG2 3.78Å; L53-V73 PolarHBondContact N-O 3Å; L53-V73 PolarHBondContact O-N 3.03Å; L53-L75 HydrophobicContact CB-CD1 3.62Å; L53-L75 HydrophobicContact CB-CD2 4.04Å; L53-L75 HydrophobicContact CB-CG 3.7Å; L53-L75 HydrophobicContact CD1-CD1 4.01Å; L53-L75 HydrophobicContact CG-CD1 4.46Å; L53-L81 HydrophobicContact CD1-CD1 3.98Å; L53-L81 HydrophobicContact CD1-CD2 4.15Å; L53-F83 HydrophobicContact CD1-CE1 4.28Å; L53-F83 HydrophobicContact CD1-CZ 4.48Å |
| 54 | R | 93.7 | Very high | 87.4 | Confident | 142 Ų | 142 | 61.3 Ų | 61.3 | 54% | 0.536 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.2 | 179.5 | -174.1 | -179.8 | 179.9 | 174.4 | -0.4 | 109.9 | A40 V41 I72 | A40-R54 WeakPolarHBondContact CA-O 3.23Å; V41-R54 PolarHBondContact N-O 3.23Å; V41-R54 PolarHBondContact O-N 3.03Å; R54-I72 HydrophobicContact CB-CG1 4.4Å; R54-I72 HydrophobicContact CG-CG1 4.18Å |
| 55 | D | 94.9 | Very high | 87.5 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 133.6 | 170.1 | -172.4 | 71.1 | 0 | 0 | 0 | 109.9 | S57 S58 T62 | D55-S57 PolarHBondContact O-N 3.11Å; D55-S57 PolarHBondContact OD2-N 3.05Å; D55-S58 WeakPolarHBondContact OD1-CB 3.43Å; D55-S58 PolarHBondContact OD1-OG 3.43Å; D55-S58 PolarHBondContact OD2-N 3.25Å; D55-S58 PolarHBondContact OD2-OG 3.43Å; D55-T62 WeakPolarHBondContact OD1-CB 3.23Å; D55-T62 PolarHBondContact OD1-N 3.44Å; D55-T62 VanDerWaalsContact OD1-N 3.15Å; D55-T62 PolarHBondContact OD1-OG1 3.28Å |
| 56 | L | 92.1 | Very high | 87.8 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | trans | -89.3 | 43.6 | 179.8 | -65.4 | -178.8 | 0 | 0 | 0 | 111.8 | Q38 H39 V41 S58 | Q38-L56 HydrophobicContact CB-CD1 3.96Å; H39-L56 PolarHBondContact O-N 3.5Å; V41-L56 HydrophobicContact CG2-CD1 3.72Å; V41-L56 HydrophobicContact CG2-CD2 4.09Å; V41-L56 HydrophobicContact CG2-CG 4.02Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 3.13Å | ||
| 57 | S | 86 | Confident | 88.6 | Confident | 117 Ų | 117 | 67 Ų | 67 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | trans | 55.2 | 44.3 | -174.7 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | D55 | D55-S57 PolarHBondContact O-N 3.11Å; D55-S57 PolarHBondContact OD2-N 3.05Å | ||
| 58 | S | 90.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.028 | 34% | 0.344 | C | S | . | . | trans | -67.6 | 143.8 | -176.4 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | D36 H39 D55 L56 K60 G61 | D36-S58 WeakPolarHBondContact OD2-CA 3.42Å; H39-S58 VanDerWaalsContact CE1-CB 3.41Å; H39-S58 WeakPolarHBondContact CE1-CB 3.2Å; H39-S58 PolarHBondContact CE1-OG 2.95Å; H39-S58 VanDerWaalsContact ND1-CB 3.28Å; H39-S58 WeakPolarHBondContact ND1-CB 3.45Å; H39-S58 PolarHBondContact NE2-OG 3.4Å; D55-S58 WeakPolarHBondContact OD1-CB 3.43Å; D55-S58 PolarHBondContact OD1-OG 3.43Å; D55-S58 PolarHBondContact OD2-N 3.25Å; D55-S58 PolarHBondContact OD2-OG 3.43Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 3.13Å; S58-K60 PolarHBondContact O-N 3.45Å; S58-K60 VanDerWaalsContact O-N 3.09Å; S58-G61 PolarHBondContact O-N 3.11Å; S58-G61 VanDerWaalsContact O-N 3.17Å; S58-G61 WeakPolarHBondContact OG-CA 3.5Å; S58-G61 PolarHBondContact OG-N 3.33Å | ||
| 59 | R | 87.7 | Confident | 90 | Very high | 196 Ų | 196 | 64.2 Ų | 64.2 | 74% | 0.74 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -57.5 | -30.1 | -175.1 | -73.5 | -175.8 | -68.6 | 176.3 | -2.3 | 113.4 | D36 | D36-R59 IonicContact OD1-CZ 3.8Å; D36-R59 IonicContact OD1-NE 2.68Å; D36-R59 PolarHBondContact OD1-NE 3.08Å; D36-R59 IonicContact OD1-NH2 2.79Å; D36-R59 PolarHBondContact OD1-NH2 3.21Å; D36-R59 PolarHBondContact OD2-N 3.42Å; D36-R59 IonicContact OD2-NE 3.9Å |
| 60 | K | 91.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 69.2 Ų | 69.2 | 48% | 0.478 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -110.9 | -6.8 | -179.3 | -64.8 | -61.3 | -174.2 | -178.3 | 0 | 113.9 | S58 | S58-K60 PolarHBondContact O-N 3.45Å; S58-K60 VanDerWaalsContact O-N 3.09Å |
| 61 | G | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | 77.3 | 160.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | H39 S58 G84 | H39-G61 PolarHBondContact NE2-O 2.69Å; S58-G61 PolarHBondContact O-N 3.11Å; S58-G61 VanDerWaalsContact O-N 3.17Å; S58-G61 WeakPolarHBondContact OG-CA 3.5Å; S58-G61 PolarHBondContact OG-N 3.33Å; G61-G84 WeakPolarHBondContact O-CA 3.38Å; G61-G84 PolarHBondContact O-N 3.28Å | ||
| 62 | T | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.9 | 169.3 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | H39 A40 L53 D55 R68 V69 F83 | H39-T62 PolarHBondContact CD2-OG1 3.15Å; H39-T62 VanDerWaalsContact CD2-OG1 3.3Å; H39-T62 PolarHBondContact NE2-OG1 3.32Å; A40-T62 HydrophobicContact CB-CG2 4.42Å; L53-T62 HydrophobicContact CD1-CG2 4.26Å; L53-T62 HydrophobicContact CD2-CG2 3.85Å; D55-T62 WeakPolarHBondContact OD1-CB 3.23Å; D55-T62 PolarHBondContact OD1-N 3.44Å; D55-T62 VanDerWaalsContact OD1-N 3.15Å; D55-T62 PolarHBondContact OD1-OG1 3.28Å; T62-R68 WeakPolarHBondContact O-CA 3.49Å; T62-V69 PolarHBondContact O-N 3.45Å; T62-F83 HydrophobicContact CG2-CD1 3.57Å; T62-F83 HydrophobicContact CG2-CE1 3.54Å |
| 63 | F | 94.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 74.6 Ų | 74.6 | 20% | 0.197 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134 | -178 | -57 | -98.3 | 0 | 0 | 0 | 111 | Q67 R68 L81 R82 | F63-Q67 CarbonylContact C-O 3.58Å; F63-Q67 VanDerWaalsContact CA-O 3.23Å; F63-Q67 WeakPolarHBondContact CA-O 3.35Å; F63-R68 HydrophobicContact CD1-CB 3.96Å; F63-R68 HydrophobicContact CE1-CB 3.79Å; F63-R68 HydrophobicContact CE1-CG 4.19Å; F63-R68 HydrophobicContact CZ-CG 4.5Å; F63-L81 CarbonylContact O-C 3.48Å; F63-L81 WeakPolarHBondContact O-CA 3.3Å; F63-R82 HydrophobicContact CB-CB 4.28Å; F63-R82 PolarHBondContact N-O 3.03Å; F63-R82 PolarHBondContact O-N 2.73Å |
| 64 | V | 94 | Very high | 90.5 | Very high | 13 Ų | 13 | 81.6 Ų | 81.6 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.5 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 107 | L53 D66 Q67 V69 V73 L75 D79 K80 L81 | L53-V64 HydrophobicContact CD2-CG2 4.01Å; V64-D66 VanDerWaalsContact C-N 3.27Å; V64-D66 PolarHBondContact O-N 3.15Å; V64-Q67 PolarHBondContact N-O 3.21Å; V64-Q67 PolarHBondContact O-N 3.3Å; V64-V69 HydrophobicContact CB-CG2 4.17Å; V64-V69 HydrophobicContact CG2-CG2 3.43Å; V64-V69 VanDerWaalsContact CG2-CG2 3.43Å; V64-V73 HydrophobicContact CG2-CG1 4.39Å; V64-L75 HydrophobicContact CG1-CD2 4.08Å; V64-L75 HydrophobicContact CG2-CD2 3.99Å; V64-D79 HydrophobicContact CG1-CB 4.43Å; V64-K80 CarbonylContact C-O 3.6Å; V64-K80 WeakPolarHBondContact CA-O 3.48Å; V64-L81 HydrophobicContact CB-CD2 4.25Å; V64-L81 HydrophobicContact CG1-CD2 4.15Å; V64-L81 HydrophobicContact CG2-CD2 3.64Å |
| 65 | N | 91.3 | Very high | 90.3 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.5 | -177.1 | -61.8 | -34.3 | 0 | 0 | 0 | 112.6 | Q67 D79 K80 | N65-Q67 PolarHBondContact O-N 3.14Å; N65-Q67 VanDerWaalsContact O-N 3.13Å; N65-D79 PolarHBondContact ND2-OD1 2.75Å; N65-K80 PolarHBondContact N-O 3.41Å; N65-K80 PolarHBondContact OD1-N 3.47Å |
| 66 | D | 88.4 | Confident | 90 | Very high | 114 Ų | 114 | 78.8 Ų | 78.8 | 61% | 0.61 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 4.6 | -176.3 | -71.5 | -49.6 | 0 | 0 | 0 | 116.6 | V64 R82 | V64-D66 VanDerWaalsContact C-N 3.27Å; V64-D66 PolarHBondContact O-N 3.15Å; D66-R82 IonicContact OD1-CZ 3.54Å; D66-R82 IonicContact OD1-NH1 2.73Å; D66-R82 PolarHBondContact OD1-NH1 3.21Å; D66-R82 IonicContact OD1-NH2 2.83Å; D66-R82 PolarHBondContact OD1-NH2 3.48Å |
| 67 | Q | 89.7 | Confident | 89.7 | Confident | 151 Ų | 151 | 79.6 Ų | 79.6 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.2 | 174.2 | -64.4 | -176.9 | 2.8 | 0 | 0 | 110.7 | F63 V64 N65 | F63-Q67 CarbonylContact C-O 3.58Å; F63-Q67 VanDerWaalsContact CA-O 3.23Å; F63-Q67 WeakPolarHBondContact CA-O 3.35Å; V64-Q67 PolarHBondContact N-O 3.21Å; V64-Q67 PolarHBondContact O-N 3.3Å; N65-Q67 PolarHBondContact O-N 3.14Å; N65-Q67 VanDerWaalsContact O-N 3.13Å |
| 68 | R | 90.7 | Very high | 89.8 | Confident | 140 Ų | 140 | 75.6 Ų | 75.6 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.4 | 178.1 | -170.6 | 176 | -179.1 | 175.9 | 2.2 | 109.9 | T62 F63 | T62-R68 WeakPolarHBondContact O-CA 3.49Å; F63-R68 HydrophobicContact CD1-CB 3.96Å; F63-R68 HydrophobicContact CE1-CB 3.79Å; F63-R68 HydrophobicContact CE1-CG 4.19Å; F63-R68 HydrophobicContact CZ-CG 4.5Å |
| 69 | V | 89.9 | Confident | 89.9 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -82 | 116.3 | 179.7 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | L53 T62 V64 G71 V73 | L53-V69 HydrophobicContact CD2-CB 4.35Å; L53-V69 HydrophobicContact CD2-CG1 4.08Å; L53-V69 HydrophobicContact CD2-CG2 3.78Å; T62-V69 PolarHBondContact O-N 3.45Å; V64-V69 HydrophobicContact CB-CG2 4.17Å; V64-V69 HydrophobicContact CG2-CG2 3.43Å; V64-V69 VanDerWaalsContact CG2-CG2 3.43Å; V69-G71 VanDerWaalsContact CG1-O 3.26Å; V69-G71 WeakPolarHBondContact CG1-O 3.41Å; V69-V73 HydrophobicContact CB-CG2 4.43Å; V69-V73 HydrophobicContact CG1-CB 4.25Å; V69-V73 HydrophobicContact CG1-CG2 3.71Å; V69-V73 HydrophobicContact CG2-CG2 4.25Å |
| 70 | D | 81.3 | Confident | 90.2 | Very high | 151 Ų | 151 | 72.5 Ų | 72.5 | 81% | 0.807 | 37% | 0.37 | S | S | * | . | trans | -107.4 | 101.7 | 165.3 | -83 | -22.8 | 0 | 0 | 0 | 108.5 | ||||
| 71 | G | 86.4 | Confident | 90.3 | Very high | 42 Ų | 42 | 67.3 Ų | 67.3 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 93.7 | -146 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V69 | V69-G71 VanDerWaalsContact CG1-O 3.26Å; V69-G71 WeakPolarHBondContact CG1-O 3.41Å |
| 72 | I | 89.6 | Confident | 90.3 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 60% | 0.595 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.3 | -176.1 | -58.7 | 170.9 | 0 | 0 | 0 | 108.8 | T52 R54 | T52-I72 HydrophobicContact CG2-CG2 4.04Å; R54-I72 HydrophobicContact CB-CG1 4.4Å; R54-I72 HydrophobicContact CG-CG1 4.18Å |
| 73 | V | 91.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.9 | 179.3 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | T52 L53 V64 V69 | T52-V73 CarbonylContact C-O 3.58Å; T52-V73 VanDerWaalsContact CA-O 3.3Å; T52-V73 WeakPolarHBondContact CA-O 3.33Å; L53-V73 PolarHBondContact N-O 3Å; L53-V73 PolarHBondContact O-N 3.03Å; V64-V73 HydrophobicContact CG2-CG1 4.39Å; V69-V73 HydrophobicContact CB-CG2 4.43Å; V69-V73 HydrophobicContact CG1-CB 4.25Å; V69-V73 HydrophobicContact CG1-CG2 3.71Å; V69-V73 HydrophobicContact CG2-CG2 4.25Å |
| 74 | R | 90.1 | Very high | 90 | Very high | 148 Ų | 148 | 67.7 Ų | 67.7 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129.5 | 174.3 | 179 | -179 | 179 | 175.5 | 0.7 | 110.2 | L50 | L50-R74 VanDerWaalsContact CD2-CD 3.47Å; L50-R74 HydrophobicContact CD2-CG 3.89Å |
| 75 | L | 90.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.7 | 174.8 | -65.9 | -174.7 | 0 | 0 | 0 | 111.8 | I42 L51 L53 V64 L81 I92 | I42-L75 HydrophobicContact CD1-CD1 4.07Å; I42-L75 HydrophobicContact CG1-CD1 4.26Å; I42-L75 HydrophobicContact CG2-CD1 4.38Å; L51-L75 HydrophobicContact CB-CB 4.21Å; L51-L75 HydrophobicContact CD2-CB 3.92Å; L51-L75 HydrophobicContact CD2-CD1 3.96Å; L51-L75 HydrophobicContact CG-CB 4.2Å; L51-L75 HydrophobicContact CG-CD1 4.37Å; L51-L75 PolarHBondContact O-N 3.49Å; L53-L75 HydrophobicContact CB-CD1 3.62Å; L53-L75 HydrophobicContact CB-CD2 4.04Å; L53-L75 HydrophobicContact CB-CG 3.7Å; L53-L75 HydrophobicContact CD1-CD1 4.01Å; L53-L75 HydrophobicContact CG-CD1 4.46Å; V64-L75 HydrophobicContact CG1-CD2 4.08Å; V64-L75 HydrophobicContact CG2-CD2 3.99Å; L75-L81 HydrophobicContact CD1-CD1 4.07Å; L75-L81 HydrophobicContact CD1-CD2 4.41Å; L75-L81 HydrophobicContact CD2-CD2 3.63Å; L75-I92 HydrophobicContact CD1-CD1 4.3Å; L75-I92 HydrophobicContact CD1-CG1 4.36Å |
| 76 | L | 88 | Confident | 88.9 | Confident | 100 Ų | 100 | 67.9 Ų | 67.9 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | trans | -118.2 | 158.1 | 173.5 | -63.3 | 175.3 | 0 | 0 | 0 | 110.6 | G78 D79 | L76-G78 PolarHBondContact O-N 3.01Å; L76-D79 PolarHBondContact N-OD2 3.13Å; L76-D79 WeakPolarHBondContact O-CB 3.41Å; L76-D79 PolarHBondContact O-N 3.48Å; L76-D79 VanDerWaalsContact O-N 3.15Å | ||
| 77 | V | 86.7 | Confident | 88.6 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 126.1 | 173 | -177.5 | 0 | 0 | 0 | 0 | 109 | L3 I92 | L3-V77 HydrophobicContact CD2-CG2 3.63Å; V77-I92 CarbonylContact C-O 3.6Å; V77-I92 HydrophobicContact CG2-CG2 4.5Å |
| 78 | G | 87.6 | Confident | 88.5 | Confident | 33 Ų | 33 | 62 Ų | 62 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -8.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L76 I92 | L76-G78 PolarHBondContact O-N 3.01Å; G78-I92 PolarHBondContact N-O 2.96Å |
| 79 | D | 92.8 | Very high | 88.5 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | trans | -67.5 | 138.2 | 179.1 | -79.6 | -21.8 | 0 | 0 | 0 | 112.2 | V64 N65 L76 E91 I92 | V64-D79 HydrophobicContact CG1-CB 4.43Å; N65-D79 PolarHBondContact ND2-OD1 2.75Å; L76-D79 PolarHBondContact N-OD2 3.13Å; L76-D79 WeakPolarHBondContact O-CB 3.41Å; L76-D79 PolarHBondContact O-N 3.48Å; L76-D79 VanDerWaalsContact O-N 3.15Å; D79-E91 WeakPolarHBondContact O-CA 3.32Å; D79-I92 PolarHBondContact O-N 3.44Å; D79-I92 VanDerWaalsContact O-N 3.08Å | ||
| 80 | K | 93 | Very high | 88.7 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.7 | -179.1 | -68.3 | 179.8 | -177.8 | 179.4 | 0 | 111 | V64 N65 I89 Y90 | V64-K80 CarbonylContact C-O 3.6Å; V64-K80 WeakPolarHBondContact CA-O 3.48Å; N65-K80 PolarHBondContact N-O 3.41Å; N65-K80 PolarHBondContact OD1-N 3.47Å; K80-I89 HydrophobicContact CB-CG2 3.73Å; K80-I89 HydrophobicContact CD-CG2 4.19Å; K80-I89 HydrophobicContact CG-CG2 4.01Å; K80-Y90 CarbonylContact C-O 3.51Å; K80-Y90 VanDerWaalsContact CA-O 3.27Å; K80-Y90 WeakPolarHBondContact CA-O 3.36Å |
| 81 | L | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.9 | -179.1 | -47.7 | -180 | 0 | 0 | 0 | 110.9 | M5 I42 L53 F63 V64 L75 F83 Y90 I92 | M5-L81 HydrophobicContact SD-CD1 4.01Å; I42-L81 HydrophobicContact CD1-CD1 4.17Å; L53-L81 HydrophobicContact CD1-CD1 3.98Å; L53-L81 HydrophobicContact CD1-CD2 4.15Å; F63-L81 CarbonylContact O-C 3.48Å; F63-L81 WeakPolarHBondContact O-CA 3.3Å; V64-L81 HydrophobicContact CB-CD2 4.25Å; V64-L81 HydrophobicContact CG1-CD2 4.15Å; V64-L81 HydrophobicContact CG2-CD2 3.64Å; L75-L81 HydrophobicContact CD1-CD1 4.07Å; L75-L81 HydrophobicContact CD1-CD2 4.41Å; L75-L81 HydrophobicContact CD2-CD2 3.63Å; L81-F83 HydrophobicContact CB-CE2 4.13Å; L81-F83 HydrophobicContact CB-CZ 4.04Å; L81-F83 HydrophobicContact CD1-CZ 4.22Å; L81-Y90 PolarHBondContact N-O 3.2Å; L81-Y90 PolarHBondContact O-N 3.37Å; L81-I92 HydrophobicContact CD1-CD1 3.89Å; L81-I92 HydrophobicContact CD1-CG1 4.21Å |
| 82 | R | 92.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 54.7 Ų | 54.7 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.6 | 170.1 | 177.7 | 178.5 | 59.2 | -110.9 | 1.9 | 109.7 | F63 D66 C86 | F63-R82 HydrophobicContact CB-CB 4.28Å; F63-R82 PolarHBondContact N-O 3.03Å; F63-R82 PolarHBondContact O-N 2.73Å; D66-R82 IonicContact OD1-CZ 3.54Å; D66-R82 IonicContact OD1-NH1 2.73Å; D66-R82 PolarHBondContact OD1-NH1 3.21Å; D66-R82 IonicContact OD1-NH2 2.83Å; D66-R82 PolarHBondContact OD1-NH2 3.48Å; R82-C86 WeakPolarHBondContact CD-O 3.42Å; R82-C86 VanDerWaalsContact CG-O 3.27Å; R82-C86 WeakPolarHBondContact CG-O 3.24Å |
| 83 | F | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.3 | -177.6 | -55.8 | -75.8 | 0 | 0 | 0 | 110 | M5 I21 I30 V35 H39 A40 L53 T62 L81 C86 Y90 | M5-F83 HydrophobicContact CE-CE2 4.36Å; M5-F83 HydrophobicContact SD-CE2 4.14Å; M5-F83 HydrophobicContact SD-CZ 4.36Å; I21-F83 HydrophobicContact CD1-CE1 3.83Å; I21-F83 HydrophobicContact CD1-CE2 4.1Å; I21-F83 HydrophobicContact CD1-CZ 3.37Å; I21-F83 HydrophobicContact CG2-CD1 4.31Å; I21-F83 HydrophobicContact CG2-CD2 4.29Å; I21-F83 HydrophobicContact CG2-CE1 4.19Å; I21-F83 HydrophobicContact CG2-CE2 4.19Å; I21-F83 HydrophobicContact CG2-CG 4.34Å; I21-F83 HydrophobicContact CG2-CZ 4.14Å; I30-F83 HydrophobicContact CD1-CB 4.21Å; I30-F83 HydrophobicContact CD1-CD2 3.39Å; I30-F83 HydrophobicContact CD1-CE2 4.02Å; I30-F83 HydrophobicContact CD1-CG 4.01Å; V35-F83 HydrophobicContact CG2-CB 4.14Å; H39-F83 AromaticContact CD2-CD1 3.7Å; A40-F83 HydrophobicContact CB-CD1 4.15Å; A40-F83 HydrophobicContact CB-CE1 3.85Å; L53-F83 HydrophobicContact CD1-CE1 4.28Å; L53-F83 HydrophobicContact CD1-CZ 4.48Å; T62-F83 HydrophobicContact CG2-CD1 3.57Å; T62-F83 HydrophobicContact CG2-CE1 3.54Å; L81-F83 HydrophobicContact CB-CE2 4.13Å; L81-F83 HydrophobicContact CB-CZ 4.04Å; L81-F83 HydrophobicContact CD1-CZ 4.22Å; F83-C86 WeakPolarHBondContact O-CB 3.31Å; F83-C86 PolarHBondContact O-N 3.47Å; F83-Y90 AromaticContact CD2-CD2 3.88Å; F83-Y90 HydrophobicContact CD2-CD2 3.88Å; F83-Y90 AromaticContact CD2-CE2 3.93Å; F83-Y90 HydrophobicContact CD2-CE2 3.93Å; F83-Y90 AromaticContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CE2 4.3Å; F83-Y90 HydrophobicContact CE2-CG 4.3Å |
| 84 | G | 88.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -145.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H39 G61 C86 | H39-G84 PolarHBondContact CE1-N 3.3Å; H39-G84 PolarHBondContact NE2-N 3.28Å; H39-G84 VanDerWaalsContact NE2-N 3.18Å; G61-G84 WeakPolarHBondContact O-CA 3.38Å; G61-G84 PolarHBondContact O-N 3.28Å; G84-C86 PolarHBondContact O-N 3.13Å |
| 85 | C | 83.2 | Confident | 87.1 | Confident | 87 Ų | 87 | 47.9 Ų | 47.9 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 24.5 | 173.7 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | T34 | T34-C85 HydrophobicContact CG2-CB 4.05Å; T34-C85 PolarHBondContact OG1-N 3.2Å; T34-C85 VanDerWaalsContact OG1-N 3.08Å |
| 86 | C | 79 | Confident | 85.1 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | trans | -68 | 132.3 | 178.1 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | R82 F83 G84 T88 | R82-C86 WeakPolarHBondContact CD-O 3.42Å; R82-C86 VanDerWaalsContact CG-O 3.27Å; R82-C86 WeakPolarHBondContact CG-O 3.24Å; F83-C86 WeakPolarHBondContact O-CB 3.31Å; F83-C86 PolarHBondContact O-N 3.47Å; G84-C86 PolarHBondContact O-N 3.13Å; C86-T88 PolarHBondContact O-N 2.84Å | ||
| 87 | S | 81.8 | Confident | 82.7 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -73.6 | -13.7 | 177.4 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 88 | T | 88.8 | Confident | 80.1 | Confident | 30 Ų | 30 | 59 Ų | 59 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | trans | -76.6 | 125.1 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | A7 C86 Y90 | A7-T88 HydrophobicContact CB-CG2 3.83Å; C86-T88 PolarHBondContact O-N 2.84Å; T88-Y90 HydrophobicContact CG2-CD2 4.48Å; T88-Y90 HydrophobicContact CG2-CE1 4.37Å; T88-Y90 HydrophobicContact CG2-CE2 3.91Å | ||
| 89 | I | 90.6 | Very high | 77.4 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 46% | 0.456 | 36% | 0.36 | S | S | . | . | trans | -99.7 | 132.5 | 174.4 | -57.8 | 173.1 | 0 | 0 | 0 | 108.5 | K80 | K80-I89 HydrophobicContact CB-CG2 3.73Å; K80-I89 HydrophobicContact CD-CG2 4.19Å; K80-I89 HydrophobicContact CG-CG2 4.01Å | ||
| 90 | Y | 92.9 | Very high | 74.3 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 5% | 0.051 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.4 | 178.6 | -61.7 | -94.6 | 0 | 0 | 0 | 109.9 | M5 K6 A7 Y12 I30 K80 L81 F83 T88 | M5-Y90 HydrophobicContact CE-CD1 3.48Å; M5-Y90 VanDerWaalsContact CE-CD1 3.48Å; M5-Y90 HydrophobicContact CE-CE1 3.96Å; M5-Y90 HydrophobicContact CE-CG 4Å; M5-Y90 HydrophobicContact CG-CD1 4.09Å; M5-Y90 HydrophobicContact CG-CG 4.26Å; M5-Y90 HydrophobicContact SD-CD1 4.07Å; M5-Y90 HydrophobicContact SD-CG 4.06Å; K6-Y90 CarbonylContact O-C 3.5Å; K6-Y90 WeakPolarHBondContact O-CA 3.47Å; A7-Y90 HydrophobicContact CB-CD1 3.32Å; A7-Y90 HydrophobicContact CB-CE1 3.54Å; A7-Y90 HydrophobicContact CB-CG 3.99Å; Y12-Y90 HydrophobicContact CE2-CE1 4.12Å; I30-Y90 HydrophobicContact CD1-CE1 4.48Å; I30-Y90 HydrophobicContact CD1-CE2 3.9Å; K80-Y90 CarbonylContact C-O 3.51Å; K80-Y90 VanDerWaalsContact CA-O 3.27Å; K80-Y90 WeakPolarHBondContact CA-O 3.36Å; L81-Y90 PolarHBondContact N-O 3.2Å; L81-Y90 PolarHBondContact O-N 3.37Å; F83-Y90 AromaticContact CD2-CD2 3.88Å; F83-Y90 HydrophobicContact CD2-CD2 3.88Å; F83-Y90 AromaticContact CD2-CE2 3.93Å; F83-Y90 HydrophobicContact CD2-CE2 3.93Å; F83-Y90 AromaticContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CD2 3.89Å; F83-Y90 HydrophobicContact CE2-CE2 4.3Å; F83-Y90 HydrophobicContact CE2-CG 4.3Å; T88-Y90 HydrophobicContact CG2-CD2 4.48Å; T88-Y90 HydrophobicContact CG2-CE1 4.37Å; T88-Y90 HydrophobicContact CG2-CE2 3.91Å |
| 91 | E | 93.4 | Very high | 71.3 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 39% | 0.388 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.5 | -177.9 | -171.9 | -179.5 | 161.1 | 0 | 0 | 111.2 | M5 K6 D79 T93 | M5-E91 CarbonylContact C-O 3.6Å; M5-E91 WeakPolarHBondContact CA-O 3.36Å; K6-E91 PolarHBondContact N-O 2.9Å; K6-E91 PolarHBondContact O-N 3.49Å; D79-E91 WeakPolarHBondContact O-CA 3.32Å; E91-T93 HydrophobicContact CG-CG2 4.29Å; E91-T93 PolarHBondContact O-N 3.4Å |
| 92 | I | 91.5 | Very high | 68.1 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.005 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 119.6 | 174.5 | -59 | -63 | 0 | 0 | 0 | 109.5 | L3 M5 I14 L51 L75 V77 G78 D79 L81 | L3-I92 HydrophobicContact CD2-CG2 3.95Å; M5-I92 HydrophobicContact CB-CD1 4.28Å; M5-I92 HydrophobicContact CG-CD1 4.35Å; I14-I92 HydrophobicContact CD1-CD1 3.76Å; L51-I92 HydrophobicContact CD2-CD1 4.36Å; L51-I92 HydrophobicContact CD2-CG2 4.38Å; L75-I92 HydrophobicContact CD1-CD1 4.3Å; L75-I92 HydrophobicContact CD1-CG1 4.36Å; V77-I92 CarbonylContact C-O 3.6Å; V77-I92 HydrophobicContact CG2-CG2 4.5Å; G78-I92 PolarHBondContact N-O 2.96Å; D79-I92 PolarHBondContact O-N 3.44Å; D79-I92 VanDerWaalsContact O-N 3.08Å; L81-I92 HydrophobicContact CD1-CD1 3.89Å; L81-I92 HydrophobicContact CD1-CG1 4.21Å |
| 93 | T | 86.2 | Confident | 64.8 | Low | 30 Ų | 30 | 85.3 Ų | 85.3 | 18% | 0.184 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.7 | -177 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | T4 K6 E91 | T4-T93 PolarHBondContact N-O 3.02Å; T4-T93 PolarHBondContact O-N 3.34Å; T4-T93 PolarHBondContact O-OG1 3.03Å; T4-T93 PolarHBondContact OG1-O 3.22Å; T4-T93 PolarHBondContact OG1-OG1 3.43Å; K6-T93 HydrophobicContact CB-CG2 4.34Å; E91-T93 HydrophobicContact CG-CG2 4.29Å; E91-T93 PolarHBondContact O-N 3.4Å |
| 94 | S | 77.3 | Confident | 61.9 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | trans | -92.7 | 145.9 | 172.5 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | G96 | S94-G96 PolarHBondContact O-N 3.01Å; S94-G96 VanDerWaalsContact O-N 3.08Å | ||
| 95 | P | 57.1 | Low | 58.8 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -74 | 101.7 | 176.2 | 30.1 | -34.5 | 0 | 0 | 0 | 109.4 | F2 | F2-P95 WeakPolarHBondContact O-CD 3.47Å; F2-P95 WeakPolarHBondContact O-CG 3.36Å |
| 96 | G | 48.8 | Very low | 56.1 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | trans | 149.6 | 63 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | S94 | S94-G96 PolarHBondContact O-N 3.01Å; S94-G96 VanDerWaalsContact O-N 3.08Å | ||
| 97 | K | 36.8 | Very low | 53.5 | Low | 196 Ų | 196 | 104.5 Ų | 104.5 | 85% | 0.852 | 59% | 0.592 | S | S | * | * | trans | -155.4 | 78 | 149.5 | -75.1 | -163.7 | -177.5 | 175.5 | 0 | 109.5 | ||||
| 98 | N | 32.6 | Very low | 50.8 | Low | 166 Ų | 166 | 105.1 Ų | 105.1 | 89% | 0.888 | 59% | 0.593 | S | S | * | * | trans | -136.2 | 65.6 | 159.9 | -90.4 | -6.6 | 0 | 0 | 0 | 107.2 | ||||
| 99 | S | 31.3 | Very low | 48 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | trans | -78.7 | 117.5 | 156.7 | 47 | 0 | 0 | 0 | 0 | 107 | E101 | S99-E101 PolarHBondContact O-N 3.39Š| ||
| 100 | H | 27.5 | Very low | 45 | Very low | 180 Ų | 180 | 114 Ų | 114 | 83% | 0.833 | 64% | 0.635 | S | S | * | * | trans | -16 | 102.3 | 157.8 | -91.8 | -109.1 | 0 | 0 | 0 | 113.8 | ||||
| 101 | E | 30.3 | Very low | 41.8 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | trans | -110.9 | 99.3 | 157.2 | -81.4 | -171.4 | 175.6 | 0 | 0 | 108.2 | S99 | S99-E101 PolarHBondContact O-N 3.39Š| ||
| 102 | S | 25.7 | Very low | 38.6 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | -59.6 | 130.1 | 176 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | T104 | S102-T104 PolarHBondContact O-N 3.24Š| ||
| 103 | F | 24.3 | Very low | 35.5 | Very low | 213 Ų | 213 | 129 Ų | 129 | 93% | 0.934 | 74% | 0.736 | S | S | * | * | trans | -33.1 | 96.2 | 156.5 | -142.3 | -102.6 | 0 | 0 | 0 | 112.6 | ||||
| 104 | T | 31.3 | Very low | 32.8 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -136.1 | 110.5 | 156.4 | 59.8 | 0 | 0 | 0 | 0 | 104 | S102 | S102-T104 PolarHBondContact O-N 3.24Š| ||
| 105 | G | 23.9 | Very low | 30.4 | Very low | 58 Ų | 58 | 140.7 Ų | 140.7 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | 87.1 | 98.7 | 51.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 106 | T | 26.6 | Very low | 29 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 71.6 | 105.5 | 157.5 | 65 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 107 | Q | 24.6 | Very low | 27.8 | Very low | 175 Ų | 175 | 155.7 Ų | 155.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 167.1 | 124.4 | 95 | -85.3 | -158.6 | -13.3 | 0 | 0 | 110.5 | |||||
| 108 | P | 25.6 | Very low | 27.3 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -105.7 | 106.5 | 167.3 | 32.8 | -19.9 | 0 | 0 | 0 | 110 | ||||
| 109 | E | 28.9 | Very low | 27.1 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -148.6 | 140.6 | 165 | -82.4 | -160.6 | 164.5 | 0 | 0 | 113.1 | ||||
| 110 | N | 29 | Very low | 27 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 79.5 | 88.6 | 156 | -87.2 | -46.3 | 0 | 0 | 0 | 121.8 | ||||
| 111 | L | 24.7 | Very low | 27.2 | Very low | 169 Ų | 169 | 149 Ų | 149 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | 17.7 | 124.3 | 108.5 | -69.3 | 159 | 0 | 0 | 0 | 117.4 | |||||
| 112 | G | 27 | Very low | 27.4 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 168.9 | 90.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 113 | N | 26.1 | Very low | 27.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -49.1 | 126.7 | 171.8 | -65.8 | -44 | 0 | 0 | 0 | 113.9 | ||||
| 114 | Q | 29.7 | Very low | 27.9 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -142.1 | 114.9 | 151.1 | -75.4 | -155.9 | -12.6 | 0 | 0 | 112.5 | ||||
| 115 | E | 26.9 | Very low | 27.9 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 56.2 | 101.2 | 136 | -67.9 | -175.5 | 141.7 | 0 | 0 | 122.1 | ||||
| 116 | K | 26.6 | Very low | 28.3 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | 21.7 | 106.4 | 119.1 | -69.4 | -179.1 | 177.4 | 177.6 | 0 | 117.8 | |||||
| 117 | R | 24.9 | Very low | 28.4 | Very low | 249 Ų | 249 | 152.8 Ų | 152.8 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | -142.3 | 118 | 135.5 | -77.2 | -168.9 | 179.2 | -177.9 | 0.2 | 110.2 | ||||
| 118 | P | 26.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -107.9 | 135.4 | 169.9 | 35.5 | -24.7 | 0 | 0 | 0 | 111.7 | ||||
| 119 | A | 27.7 | Very low | 28.7 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | 165.1 | 129.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 120 | T | 28.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 146 Ų | 146 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | cis | -165 | 130.7 | 24.5 | -76 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 121 | I | 32.4 | Very low | 28.3 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 128.8 | 169.7 | -64.6 | 172.7 | 0 | 0 | 0 | 108.1 | ||||
| 122 | P | 33.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 142.6 | 176.7 | -17.3 | 31 | 0 | 0 | 0 | 113.1 | ||||
| 123 | P | 28.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -100.4 | 109.6 | -171.9 | 34.7 | -25.5 | 0 | 0 | 0 | 112.4 | ||
| 124 | W | 32 | Very low | 28.4 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -157 | 13.8 | 145.6 | 53.5 | -90.4 | 0 | 0 | 0 | 113.4 | K126 | W124-K126 PolarHBondContact O-N 3.49Š| ||
| 125 | V | 31 | Very low | 28.1 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -77.2 | 92 | 167.7 | 174.8 | 0 | 0 | 0 | 0 | 108 | V127 | V125-V127 HydrophobicContact CG1-CG2 3.55Å; V125-V127 PolarHBondContact O-N 3.1Å | ||
| 126 | K | 32.1 | Very low | 28.2 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -90.2 | 92 | 170.2 | -150.5 | 176.8 | -171.2 | -178.8 | 0 | 107.4 | W124 | W124-K126 PolarHBondContact O-N 3.49Š| ||
| 127 | V | 29.4 | Very low | 28.1 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 113.4 | 172.4 | 170.9 | 0 | 0 | 0 | 0 | 107.4 | V125 | V125-V127 HydrophobicContact CG1-CG2 3.55Å; V125-V127 PolarHBondContact O-N 3.1Å | ||
| 128 | C | 29.5 | Very low | 28.2 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -105.7 | 111.2 | 155.2 | -72.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 129 | G | 27.1 | Very low | 28.1 | Very low | 57 Ų | 57 | 135.7 Ų | 135.7 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | trans | -74 | -167.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 130 | D | 24.2 | Very low | 28 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | cis | -165.4 | 147.2 | -14 | -115.7 | -34.9 | 0 | 0 | 0 | 102.5 | ||||
| 131 | S | 25.6 | Very low | 27.9 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 39.2 | 107.5 | 146.1 | -52.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 132 | D | 28.8 | Very low | 27.7 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -146.5 | 114.1 | 142.6 | -105.9 | -24.2 | 0 | 0 | 0 | 111.8 | ||||
| 133 | S | 24.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -101.5 | 104.7 | 170.3 | -69.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 134 | S | 27 | Very low | 27.8 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -164.8 | 122.9 | 158.6 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 135 | Q | 23.1 | Very low | 27.8 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 52.9 | 114.1 | 139.6 | -63.4 | 179.1 | -1.6 | 0 | 0 | 118.7 | ||||
| 136 | I | 30 | Very low | 27.7 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | -156.3 | 118.2 | 121.8 | -91.2 | 142.4 | 0 | 0 | 0 | 108.6 | |||||
| 137 | N | 23.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -75.9 | 138.7 | 160.5 | -102.4 | -44.8 | 0 | 0 | 0 | 108.5 | ||||
| 138 | I | 25.8 | Very low | 27.3 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -171.2 | 143.7 | 134 | -91.9 | 149.3 | 0 | 0 | 0 | 108.7 | ||||
| 139 | P | 25.8 | Very low | 27.2 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | trans | -126.4 | 178.5 | -147.1 | 35.7 | -16 | 0 | 0 | 0 | 115 | ||||
| 140 | R | 25.3 | Very low | 27.1 | Very low | 216 Ų | 216 | 139.3 Ų | 139.3 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 88.9 | 134.6 | 134.4 | -107 | -171.8 | -131.6 | 162.4 | 4.2 | 122.1 | ||||
| 141 | I | 26.6 | Very low | 27.2 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 101.5 | 95.6 | 137.8 | -68.3 | 153.8 | 0 | 0 | 0 | 116.7 | ||||
| 142 | V | 28.4 | Very low | 26.9 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 70.8 | 159.4 | 86.7 | -115.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 143 | P | 35.5 | Very low | 26.6 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -126.6 | -159.9 | -122.8 | 41.7 | -19.1 | 0 | 0 | 0 | 112.8 | |||||
| 144 | S | 27.9 | Very low | 26.6 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 114.7 | 148 | 152.4 | -155 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 145 | D | 33 | Very low | 26.4 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 86.7 | 140.6 | 164.4 | -61.3 | -7.8 | 0 | 0 | 0 | 116.7 | ||||
| 146 | N | 29.8 | Very low | 26.8 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | 179.9 | 156.5 | -21.5 | -123.8 | -40.1 | 0 | 0 | 0 | 104.6 | ||||
| 147 | K | 28.7 | Very low | 26.5 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | 77.4 | 127.1 | 156.2 | -67.8 | 174.2 | 179.9 | 179.3 | 0 | 120.6 | ||||
| 148 | A | 22.6 | Very low | 26.8 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -62.7 | 152.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 149 | S | 27.7 | Very low | 27 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | 169.9 | 134.9 | 113.8 | 47.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 150 | N | 24.5 | Very low | 26.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -62.5 | 128.5 | 166.7 | -82.5 | -27.7 | 0 | 0 | 0 | 110.3 | ||||
| 151 | M | 26.7 | Very low | 27 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -142.8 | 136.1 | 154 | -82.1 | -83.4 | 68.6 | 0 | 0 | 110.6 | ||||
| 152 | C | 19.6 | Very low | 27 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -92.3 | 150.5 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 153 | S | 22.4 | Very low | 27 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | 66.2 | 118.2 | 158.2 | -61.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 154 | Q | 24.4 | Very low | 26.6 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -179.1 | 116.4 | 133.7 | -103.9 | 165.2 | -7.9 | 0 | 0 | 110.2 | ||||
| 155 | V | 22 | Very low | 26.5 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | 89.1 | 120.4 | 91.6 | 168.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 156 | H | 31.7 | Very low | 26.4 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 170.7 | 92.2 | 145.4 | -96.4 | -63.8 | 0 | 0 | 0 | 107.1 | ||||
| 157 | E | 24.5 | Very low | 26.3 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 49.6 | 114.1 | 74.2 | -78.1 | -163 | 162.2 | 0 | 0 | 116 | |||||
| 158 | N | 30.4 | Very low | 26.2 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | 175.3 | 127.1 | 115.6 | -86.8 | -28.9 | 0 | 0 | 0 | 115 | |||||
| 159 | N | 29.9 | Very low | 26.6 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 72.2 | 138.8 | 133.8 | -64.4 | -10.4 | 0 | 0 | 0 | 121.4 | ||||
| 160 | F | 24 | Very low | 26.7 | Very low | 165 Ų | 165 | 146 Ų | 146 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | cis | -176.4 | 160.9 | -6.3 | -142.2 | -118.3 | 0 | 0 | 0 | 108.2 | ||||
| 161 | E | 26.7 | Very low | 26.8 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 71.6 | 141.4 | 159.7 | -80.8 | 161.3 | -166.1 | 0 | 0 | 120.2 | ||||
| 162 | A | 27.3 | Very low | 26.9 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | cis | -172.4 | 144.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 163 | H | 27.6 | Very low | 27.2 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | trans | 74.4 | 128.4 | 137.5 | -84.1 | -71.7 | 0 | 0 | 0 | 126.6 | ||||
| 164 | L | 27.4 | Very low | 27.5 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 80.9 | 144.5 | 144.9 | -61.8 | 152.4 | 0 | 0 | 0 | 118.6 | ||||
| 165 | S | 25.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | 169.5 | 115.7 | -23.8 | 161.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 166 | S | 31.9 | Very low | 28.2 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -176.4 | 109.7 | 152.3 | -164.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 167 | K | 27.2 | Very low | 27.9 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 43.3 | 126.1 | 80.1 | -74.2 | -171.2 | 177.4 | -178.1 | 0 | 112 | |||||
| 168 | Q | 27.1 | Very low | 28.1 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | cis | -161.3 | 172.7 | 25.6 | -116.3 | -179.3 | -51 | 0 | 0 | 110.1 | ||||
| 169 | P | 30.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -102.8 | 162.6 | -170.2 | 39.5 | -31.6 | 0 | 0 | 0 | 114.1 | ||||
| 170 | E | 30.1 | Very low | 27.9 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -161.8 | 149.3 | 148.2 | -113.8 | 171.4 | -147.2 | 0 | 0 | 113 | ||||
| 171 | S | 26 | Very low | 28 | Very low | 103 Ų | 103 | 155.2 Ų | 155.2 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 153.4 | -165.1 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 172 | R | 28.1 | Very low | 28 | Very low | 246 Ų | 246 | 152.1 Ų | 152.1 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -173.3 | 98.9 | 137.6 | -106.2 | 167.7 | -178.2 | -176.9 | 1.4 | 110.7 | ||||
| 173 | S | 27.6 | Very low | 27.9 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -73.2 | 127.7 | 158.7 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 174 | N | 27.1 | Very low | 27.8 | Very low | 170 Ų | 170 | 158 Ų | 158 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -130.4 | 108.8 | 163.7 | -116.6 | 3.6 | 0 | 0 | 0 | 107.3 | ||||
| 175 | T | 30.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 159.7 Ų | 159.7 | 69% | 0.693 | 81% | 0.809 | S | S | * | * | trans | -123.5 | 132.7 | 178.1 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 176 | N | 30.8 | Very low | 27.7 | Very low | 156 Ų | 156 | 160.1 Ų | 160.1 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 66.1 | 100.5 | 145.5 | -56.6 | -13.6 | 0 | 0 | 0 | 119 | ||||
| 177 | D | 26 | Very low | 27.6 | Very low | 158 Ų | 158 | 164.6 Ų | 164.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -128.7 | 109.6 | 158.8 | -97.5 | -34.6 | 0 | 0 | 0 | 109 | ||||
| 178 | L | 29.1 | Very low | 27.4 | Very low | 168 Ų | 168 | 159.4 Ų | 159.4 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -154.7 | 81.9 | 158.4 | -109.3 | 134.9 | 0 | 0 | 0 | 111.4 | ||||
| 179 | K | 30.2 | Very low | 27.6 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 19 | 110.5 | 140.5 | -65.1 | 175.8 | 179.8 | 175.6 | 0 | 117.9 | ||||
| 180 | I | 25.4 | Very low | 27.5 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -110.7 | 132.5 | 158.7 | -69.9 | 174.3 | 0 | 0 | 0 | 108.1 | ||||
| 181 | Y | 25.4 | Very low | 27.3 | Very low | 216 Ų | 216 | 155 Ų | 155 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -100.1 | 159.6 | 168.7 | -99.9 | -94.5 | 0 | 0 | 0 | 111 | ||||
| 182 | P | 28.3 | Very low | 27.4 | Very low | 105 Ų | 105 | 157 Ų | 157 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | -113.4 | 164.2 | -141.9 | 40 | -32.8 | 0 | 0 | 0 | 117.9 | ||||
| 183 | L | 24.4 | Very low | 27.5 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -44.9 | 147.9 | 166.8 | -103.9 | 74.4 | 0 | 0 | 0 | 116.8 | ||||
| 184 | Y | 26.1 | Very low | 27.3 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -135.6 | 133.3 | 154.5 | -99.8 | -103.8 | 0 | 0 | 0 | 111.2 | ||||
| 185 | Y | 25.5 | Very low | 27.4 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | 69.1 | 108.5 | 154.2 | -83.2 | -111.3 | 0 | 0 | 0 | 121 | ||||
| 186 | V | 25.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | 94.4 | 107.7 | 73.9 | 164.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 187 | K | 28.3 | Very low | 27.2 | Very low | 206 Ų | 206 | 147.2 Ų | 147.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | 175.6 | 142.6 | 110.7 | -120 | 167.3 | -176.6 | 179.3 | 0 | 112.1 | |||||
| 188 | A | 24.3 | Very low | 27.6 | Very low | 78 Ų | 78 | 145 Ų | 145 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -84.6 | 164 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 189 | N | 30.5 | Very low | 27.4 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -174.8 | 95.8 | 136.4 | -86.1 | -10.9 | 0 | 0 | 0 | 106.8 | ||||
| 190 | T | 27.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | 69.3 | 105.9 | 85.6 | 56.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 191 | L | 26.6 | Very low | 27.9 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 77.2 | 109.1 | 123.8 | -64.4 | 163.7 | 0 | 0 | 0 | 119.2 | |||||
| 192 | D | 28.6 | Very low | 27.9 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 120.9 | 148.2 | 114 | -80 | -9.7 | 0 | 0 | 0 | 119.5 | |||||
| 193 | P | 30.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -122.5 | -170.3 | -148.6 | 37 | -17.4 | 0 | 0 | 0 | 113.1 | ||||
| 194 | C | 22.8 | Very low | 28.1 | Very low | 119 Ų | 119 | 132 Ų | 132 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 103 | 153 | 143.7 | -148.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 195 | S | 29.1 | Very low | 28.4 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 99.8 | 100.8 | 164.7 | -151.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 196 | T | 26.8 | Very low | 28.5 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | 99.5 | 129.4 | 51.6 | 63.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 197 | N | 29.2 | Very low | 28.7 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 85.2 | 164 | 150.6 | -59.4 | -25.2 | 0 | 0 | 0 | 118.8 | ||||
| 198 | P | 35 | Very low | 28.9 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | -140.9 | 165.6 | -86 | 35 | -13.1 | 0 | 0 | 0 | 116.4 | |||||
| 199 | A | 25.1 | Very low | 29.1 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 62 | 166.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 200 | P | 39.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | cis | -134.2 | 165.1 | -28 | 30.5 | -9.7 | 0 | 0 | 0 | 115.6 | ||||
| 201 | N | 25.5 | Very low | 30.1 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 40.3 | 113.5 | 142.9 | -61.9 | -27.3 | 0 | 0 | 0 | 121.8 | ||||
| 202 | L | 27.1 | Very low | 30.9 | Very low | 156 Ų | 156 | 126 Ų | 126 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | -168.3 | 121.6 | 124.2 | -139.7 | 58.1 | 0 | 0 | 0 | 112.8 | |||||
| 203 | T | 27.4 | Very low | 32 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | 54.2 | 119.3 | 139.6 | 61.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 204 | T | 27.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 56.3 | 98.8 | 134.2 | 64.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 205 | N | 33.3 | Very low | 35.4 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | trans | -161.8 | 103.7 | 139 | -94.9 | -19.1 | 0 | 0 | 0 | 108.5 | ||||
| 206 | D | 28 | Very low | 36.8 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -90.7 | 119.1 | 176.8 | -142.7 | -10 | 0 | 0 | 0 | 108.5 | ||||
| 207 | S | 29 | Very low | 38.7 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 57% | 0.573 | 71% | 0.714 | S | S | * | * | trans | 69.4 | 112.3 | 134.2 | -67.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 208 | T | 33.1 | Very low | 41 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | 95.7 | 101.3 | 123 | 58.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 209 | G | 28.8 | Very low | 43 | Very low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | 80.8 | 134.2 | 117.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 210 | N | 38.7 | Very low | 45.3 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | cis | -166.3 | 94.3 | 23.1 | -157.6 | 14.5 | 0 | 0 | 0 | 106.5 | F212 | N210-F212 PolarHBondContact O-N 3.16Š| ||
| 211 | D | 39.3 | Very low | 47.3 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | trans | -70 | 109.5 | 171.5 | -93.5 | -34.1 | 0 | 0 | 0 | 108.9 | S213 | D211-S213 PolarHBondContact O-N 3.25Š| ||
| 212 | F | 43.2 | Very low | 49.9 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 63% | 0.627 | 67% | 0.669 | S | S | * | * | trans | -58.8 | 112.2 | 168.4 | -88.9 | -90.6 | 0 | 0 | 0 | 109 | N210 S214 | N210-F212 PolarHBondContact O-N 3.16Å; F212-S214 PolarHBondContact O-N 3.09Å | ||
| 213 | S | 52 | Low | 52.4 | Low | 65 Ų | 65 | 122.6 Ų | 122.6 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | trans | -40.9 | 131.5 | -175.8 | 179 | 0 | 0 | 0 | 0 | 113.1 | D211 D215 Q216 | D211-S213 PolarHBondContact O-N 3.25Å; S213-D215 PolarHBondContact O-N 2.91Å; S213-D215 PolarHBondContact OG-N 3.42Å; S213-Q216 PolarHBondContact O-N 3.23Å | ||
| 214 | S | 61.8 | Low | 55 | Low | 79 Ų | 79 | 122.1 Ų | 122.1 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -47.7 | -31 | 175.4 | -165 | 0 | 0 | 0 | 0 | 112.6 | F212 Q216 K217 D218 | F212-S214 PolarHBondContact O-N 3.09Å; S214-Q216 VanDerWaalsContact C-N 3.31Å; S214-Q216 PolarHBondContact O-N 2.89Å; S214-K217 PolarHBondContact O-N 2.88Å; S214-K217 VanDerWaalsContact O-N 3.16Å; S214-D218 PolarHBondContact O-N 2.78Å |
| 215 | D | 63.6 | Low | 57.6 | Low | 117 Ų | 117 | 123 Ų | 123 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.5 | -32.7 | 178.7 | -73 | -20.9 | 0 | 0 | 0 | 113.6 | S213 K219 | S213-D215 PolarHBondContact O-N 2.91Å; S213-D215 PolarHBondContact OG-N 3.42Å; D215-K219 PolarHBondContact O-N 3.5Å |
| 216 | Q | 57.7 | Low | 59.8 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 56% | 0.556 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.3 | -37.9 | 175.3 | -75.4 | -165.5 | -8.9 | 0 | 0 | 111.3 | S213 S214 D218 K219 Y220 | S213-Q216 PolarHBondContact O-N 3.23Å; S214-Q216 VanDerWaalsContact C-N 3.31Å; S214-Q216 PolarHBondContact O-N 2.89Å; Q216-D218 VanDerWaalsContact C-N 3.34Å; Q216-K219 PolarHBondContact O-N 2.79Å; Q216-Y220 WeakPolarHBondContact O-CB 3.27Å; Q216-Y220 PolarHBondContact O-N 3.21Å |
| 217 | K | 67.1 | Low | 62.2 | Low | 134 Ų | 134 | 118.5 Ų | 118.5 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 173.9 | -70.1 | -177.2 | -179.6 | 173.4 | 0 | 110.6 | S214 K219 Y220 I221 | S214-K217 PolarHBondContact O-N 2.88Å; S214-K217 VanDerWaalsContact O-N 3.16Å; K217-K219 PolarHBondContact O-N 3.39Å; K217-Y220 PolarHBondContact O-N 2.88Å; K217-I221 WeakPolarHBondContact O-CB 3.5Å; K217-I221 WeakPolarHBondContact O-CD1 3.21Å; K217-I221 WeakPolarHBondContact O-CG1 3.5Å; K217-I221 PolarHBondContact O-N 3Å |
| 218 | D | 77.1 | Confident | 64.6 | Low | 83 Ų | 83 | 119.8 Ų | 119.8 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.2 | -35.3 | 177.7 | -73.9 | -31.8 | 0 | 0 | 0 | 112.8 | S214 Q216 K222 | S214-D218 PolarHBondContact O-N 2.78Å; Q216-D218 VanDerWaalsContact C-N 3.34Å; D218-K222 WeakPolarHBondContact O-CB 3.47Å; D218-K222 PolarHBondContact O-N 3.29Å |
| 219 | K | 77.5 | Confident | 66.8 | Low | 157 Ų | 157 | 119 Ų | 119 | 68% | 0.683 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 169.8 | -91.8 | -176.9 | 175.4 | 177.1 | 0 | 112.5 | D215 Q216 K217 K222 Q223 | D215-K219 PolarHBondContact O-N 3.5Å; Q216-K219 PolarHBondContact O-N 2.79Å; K217-K219 PolarHBondContact O-N 3.39Å; K219-K222 PolarHBondContact O-N 3.38Å; K219-Q223 PolarHBondContact O-N 3.15Å |
| 220 | Y | 74.4 | Confident | 69 | Low | 157 Ų | 157 | 123.6 Ų | 123.6 | 62% | 0.616 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.8 | -40.4 | 178.2 | -136.7 | -91.6 | 0 | 0 | 0 | 111.3 | Q216 K217 Q223 L224 | Q216-Y220 WeakPolarHBondContact O-CB 3.27Å; Q216-Y220 PolarHBondContact O-N 3.21Å; K217-Y220 PolarHBondContact O-N 2.88Å; Y220-Q223 PolarHBondContact O-N 3.35Å; Y220-L224 HydrophobicContact CD1-CD1 3.96Å; Y220-L224 HydrophobicContact CD1-CG 4.31Å; Y220-L224 HydrophobicContact CE1-CD1 4.48Å; Y220-L224 WeakPolarHBondContact O-CB 3.5Å; Y220-L224 WeakPolarHBondContact O-CG 3.46Å; Y220-L224 PolarHBondContact O-N 3.3Å |
| 221 | I | 80.2 | Confident | 70.7 | Confident | 92 Ų | 92 | 121.5 Ų | 121.5 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.8 | -40.1 | 174.9 | -68.7 | 165.3 | 0 | 0 | 0 | 110.6 | K217 L224 K225 | K217-I221 WeakPolarHBondContact O-CB 3.5Å; K217-I221 WeakPolarHBondContact O-CD1 3.21Å; K217-I221 WeakPolarHBondContact O-CG1 3.5Å; K217-I221 PolarHBondContact O-N 3Å; I221-L224 PolarHBondContact O-N 3.45Å; I221-K225 WeakPolarHBondContact O-CB 3.34Å; I221-K225 PolarHBondContact O-N 2.82Å |
| 222 | K | 81.3 | Confident | 72.6 | Confident | 158 Ų | 158 | 116.2 Ų | 116.2 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.1 | -45 | 172.8 | -100.6 | -176.8 | 175.5 | 177.9 | 0 | 112.3 | D218 K219 L224 K225 E226 | D218-K222 WeakPolarHBondContact O-CB 3.47Å; D218-K222 PolarHBondContact O-N 3.29Å; K219-K222 PolarHBondContact O-N 3.38Å; K222-L224 PolarHBondContact O-N 3.16Å; K222-K225 PolarHBondContact O-N 3.49Å; K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 PolarHBondContact O-N 3.06Å |
| 223 | Q | 79.9 | Confident | 74.2 | Confident | 122 Ų | 122 | 113.2 Ų | 113.2 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.7 | -41.1 | 176.2 | -84.1 | -176.3 | -22.6 | 0 | 0 | 112 | K219 Y220 E226 Q227 | K219-Q223 PolarHBondContact O-N 3.15Å; Y220-Q223 PolarHBondContact O-N 3.35Å; Q223-E226 PolarHBondContact O-N 3.06Å; Q223-Q227 WeakPolarHBondContact O-CB 3.19Å; Q223-Q227 VanDerWaalsContact O-CG 3.29Å; Q223-Q227 WeakPolarHBondContact O-CG 3.27Å; Q223-Q227 PolarHBondContact O-N 2.96Å |
| 224 | L | 81.6 | Confident | 75.3 | Confident | 96 Ų | 96 | 114.6 Ų | 114.6 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -41.4 | 174.9 | -75.4 | 168.9 | 0 | 0 | 0 | 111.8 | Y220 I221 K222 E226 Q227 I228 | Y220-L224 HydrophobicContact CD1-CD1 3.96Å; Y220-L224 HydrophobicContact CD1-CG 4.31Å; Y220-L224 HydrophobicContact CE1-CD1 4.48Å; Y220-L224 WeakPolarHBondContact O-CB 3.5Å; Y220-L224 WeakPolarHBondContact O-CG 3.46Å; Y220-L224 PolarHBondContact O-N 3.3Å; I221-L224 PolarHBondContact O-N 3.45Å; K222-L224 PolarHBondContact O-N 3.16Å; L224-E226 VanDerWaalsContact C-N 3.32Å; L224-E226 PolarHBondContact O-N 3.47Å; L224-Q227 PolarHBondContact O-N 3.46Å; L224-I228 WeakPolarHBondContact O-CB 3.41Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.48Å; L224-I228 PolarHBondContact O-N 3.31Å |
| 225 | K | 81.9 | Confident | 76.1 | Confident | 140 Ų | 140 | 117.4 Ų | 117.4 | 61% | 0.609 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.1 | -40 | 172.7 | -103.2 | -178.1 | 173.6 | 177.7 | 0 | 112.3 | I221 K222 I228 N229 | I221-K225 WeakPolarHBondContact O-CB 3.34Å; I221-K225 PolarHBondContact O-N 2.82Å; K222-K225 PolarHBondContact O-N 3.49Å; K225-I228 PolarHBondContact O-N 3.26Å; K225-N229 WeakPolarHBondContact O-CB 3.23Å; K225-N229 VanDerWaalsContact O-CG 3.23Å; K225-N229 PolarHBondContact O-N 3.02Å; K225-N229 PolarHBondContact O-ND2 3.36Å |
| 226 | E | 79.7 | Confident | 76.9 | Confident | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.5 | -37.5 | 178.5 | -167.6 | 164.9 | -169.4 | 0 | 0 | 112 | K222 Q223 L224 N229 R230 | K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 PolarHBondContact O-N 3.06Å; Q223-E226 PolarHBondContact O-N 3.06Å; L224-E226 VanDerWaalsContact C-N 3.32Å; L224-E226 PolarHBondContact O-N 3.47Å; E226-N229 PolarHBondContact O-N 3.39Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.1Å |
| 227 | Q | 77.5 | Confident | 78.1 | Confident | 101 Ų | 101 | 112.3 Ų | 112.3 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 172.4 | -70.7 | -69 | 0 | 0 | 0 | 112 | Q223 L224 N229 R230 L231 | Q223-Q227 WeakPolarHBondContact O-CB 3.19Å; Q223-Q227 VanDerWaalsContact O-CG 3.29Å; Q223-Q227 WeakPolarHBondContact O-CG 3.27Å; Q223-Q227 PolarHBondContact O-N 2.96Å; L224-Q227 PolarHBondContact O-N 3.46Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 3.27Å; Q227-R230 PolarHBondContact O-N 3.08Å; Q227-L231 WeakPolarHBondContact O-CB 3.42Å; Q227-L231 VanDerWaalsContact O-CG 3.29Å; Q227-L231 WeakPolarHBondContact O-CG 3.42Å; Q227-L231 PolarHBondContact O-N 3.48Å |
| 228 | I | 80.7 | Confident | 78.9 | Confident | 110 Ų | 110 | 109.5 Ų | 109.5 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 173.5 | -70.2 | 165.5 | 0 | 0 | 0 | 110.5 | L224 K225 R230 L231 A232 | L224-I228 WeakPolarHBondContact O-CB 3.41Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.48Å; L224-I228 PolarHBondContact O-N 3.31Å; K225-I228 PolarHBondContact O-N 3.26Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.12Å; I228-L231 PolarHBondContact O-N 3.45Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I228-A232 PolarHBondContact O-N 2.97Å; I228-A232 VanDerWaalsContact O-N 3.1Å |
| 229 | N | 78.8 | Confident | 79.3 | Confident | 119 Ų | 119 | 109 Ų | 109 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -34.3 | 176.2 | -72.9 | -19.3 | 0 | 0 | 0 | 112.6 | K225 E226 Q227 L231 | K225-N229 WeakPolarHBondContact O-CB 3.23Å; K225-N229 VanDerWaalsContact O-CG 3.23Å; K225-N229 PolarHBondContact O-N 3.02Å; K225-N229 PolarHBondContact O-ND2 3.36Å; E226-N229 PolarHBondContact O-N 3.39Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 3.27Å; N229-L231 VanDerWaalsContact C-N 3.33Å |
| 230 | R | 74.8 | Confident | 79.9 | Confident | 174 Ų | 174 | 108 Ų | 108 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.6 | -25.7 | 173.4 | -77 | -176.7 | 75 | -156.8 | 5.1 | 113.3 | E226 Q227 I228 P233 | E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.1Å; Q227-R230 PolarHBondContact O-N 3.08Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.12Å; R230-P233 VanDerWaalsContact O-CD 3.31Å; R230-P233 WeakPolarHBondContact O-CD 3.43Å |
| 231 | L | 74.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -85.3 | -17.4 | 178 | -72.5 | 164.6 | 0 | 0 | 0 | 113.2 | Q227 I228 N229 P233 L234 E235 | Q227-L231 WeakPolarHBondContact O-CB 3.42Å; Q227-L231 VanDerWaalsContact O-CG 3.29Å; Q227-L231 WeakPolarHBondContact O-CG 3.42Å; Q227-L231 PolarHBondContact O-N 3.48Å; I228-L231 PolarHBondContact O-N 3.45Å; I228-L231 VanDerWaalsContact O-N 3.13Å; N229-L231 VanDerWaalsContact C-N 3.33Å; L231-P233 VanDerWaalsContact C-CD 3.43Å; L231-L234 HydrophobicContact CD2-CD1 3.82Å; L231-L234 WeakPolarHBondContact O-CA 3.45Å; L231-L234 WeakPolarHBondContact O-CB 3.47Å; L231-L234 PolarHBondContact O-N 3.01Å; L231-E235 PolarHBondContact O-N 2.86Å |
| 232 | A | 79 | Confident | 80.7 | Confident | 50 Ų | 50 | 106.3 Ų | 106.3 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -54 | -38.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I228 L234 E235 A236 | I228-A232 PolarHBondContact O-N 2.97Å; I228-A232 VanDerWaalsContact O-N 3.1Å; A232-L234 VanDerWaalsContact C-N 3.3Å; A232-L234 PolarHBondContact O-N 3.4Å; A232-E235 PolarHBondContact O-N 3.48Å; A232-A236 PolarHBondContact O-N 3.47Å |
| 233 | P | 78.1 | Confident | 81.1 | Confident | 79 Ų | 79 | 104.3 Ų | 104.3 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 172.9 | -19.4 | 32.3 | 0 | 0 | 0 | 113.1 | R230 L231 A236 I237 | R230-P233 VanDerWaalsContact O-CD 3.31Å; R230-P233 WeakPolarHBondContact O-CD 3.43Å; L231-P233 VanDerWaalsContact C-CD 3.43Å; P233-A236 PolarHBondContact O-N 2.89Å; P233-I237 WeakPolarHBondContact O-CG1 3.44Å; P233-I237 PolarHBondContact O-N 3.21Å; P233-I237 VanDerWaalsContact O-N 3.11Å |
| 234 | L | 73.9 | Confident | 81.6 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.1 | -34 | 176.8 | -72.6 | 163.2 | 0 | 0 | 0 | 111 | L231 A232 A236 I237 T238 | L231-L234 HydrophobicContact CD2-CD1 3.82Å; L231-L234 WeakPolarHBondContact O-CA 3.45Å; L231-L234 WeakPolarHBondContact O-CB 3.47Å; L231-L234 PolarHBondContact O-N 3.01Å; A232-L234 VanDerWaalsContact C-N 3.3Å; A232-L234 PolarHBondContact O-N 3.4Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-I237 HydrophobicContact CD2-CD1 4.36Å; L234-I237 PolarHBondContact O-N 2.93Å; L234-T238 WeakPolarHBondContact O-CB 3.25Å; L234-T238 PolarHBondContact O-N 3.03Å; L234-T238 PolarHBondContact O-OG1 2.83Å |
| 235 | E | 78.7 | Confident | 81.8 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -38.9 | 172 | -163.3 | 175.7 | -165.2 | 0 | 0 | 111.7 | L231 A232 I237 T238 T239 | L231-E235 PolarHBondContact O-N 2.86Å; A232-E235 PolarHBondContact O-N 3.48Å; E235-I237 PolarHBondContact O-N 2.85Å; E235-T238 PolarHBondContact O-N 3.37Å; E235-T239 WeakPolarHBondContact O-CG2 3.3Å; E235-T239 PolarHBondContact O-N 3.41Å; E235-T239 PolarHBondContact O-OG1 3.49Å |
| 236 | A | 80.4 | Confident | 82.2 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A232 P233 L234 T239 Q240 | A232-A236 PolarHBondContact O-N 3.47Å; P233-A236 PolarHBondContact O-N 2.89Å; L234-A236 VanDerWaalsContact C-N 3.34Å; A236-T239 WeakPolarHBondContact CA-OG1 3.37Å; A236-T239 PolarHBondContact O-OG1 2.94Å; A236-Q240 PolarHBondContact O-N 3.15Å |
| 237 | I | 83.6 | Confident | 82.7 | Confident | 78 Ų | 78 | 102 Ų | 102 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -39.3 | 174.8 | -66.8 | 165.2 | 0 | 0 | 0 | 110.7 | P233 L234 E235 Q240 K241 | P233-I237 WeakPolarHBondContact O-CG1 3.44Å; P233-I237 PolarHBondContact O-N 3.21Å; P233-I237 VanDerWaalsContact O-N 3.11Å; L234-I237 HydrophobicContact CD2-CD1 4.36Å; L234-I237 PolarHBondContact O-N 2.93Å; E235-I237 PolarHBondContact O-N 2.85Å; I237-Q240 PolarHBondContact O-N 3.07Å; I237-K241 HydrophobicContact CG2-CD 4.41Å; I237-K241 WeakPolarHBondContact O-CG 3.42Å; I237-K241 PolarHBondContact O-N 3.29Å |
| 238 | T | 83.2 | Confident | 83.3 | Confident | 75 Ų | 75 | 101 Ų | 101 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | -179.5 | -43.8 | 0 | 0 | 0 | 0 | 110.6 | L234 E235 Q240 K241 D242 | L234-T238 WeakPolarHBondContact O-CB 3.25Å; L234-T238 PolarHBondContact O-N 3.03Å; L234-T238 PolarHBondContact O-OG1 2.83Å; E235-T238 PolarHBondContact O-N 3.37Å; T238-Q240 PolarHBondContact O-N 3.34Å; T238-K241 WeakPolarHBondContact O-CB 3.27Å; T238-K241 PolarHBondContact O-N 3.48Å; T238-K241 VanDerWaalsContact O-N 3.16Å; T238-D242 PolarHBondContact O-N 2.95Å |
| 239 | T | 86.7 | Confident | 83.7 | Confident | 73 Ų | 73 | 101.2 Ų | 101.2 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 173.4 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | E235 A236 K241 D242 I243 | E235-T239 WeakPolarHBondContact O-CG2 3.3Å; E235-T239 PolarHBondContact O-N 3.41Å; E235-T239 PolarHBondContact O-OG1 3.49Å; A236-T239 WeakPolarHBondContact CA-OG1 3.37Å; A236-T239 PolarHBondContact O-OG1 2.94Å; T239-K241 VanDerWaalsContact C-N 3.35Å; T239-K241 PolarHBondContact O-N 3.28Å; T239-D242 PolarHBondContact O-N 3.44Å; T239-I243 WeakPolarHBondContact O-CD1 3.5Å; T239-I243 VanDerWaalsContact O-CG1 3.24Å; T239-I243 WeakPolarHBondContact O-CG1 3.45Å; T239-I243 PolarHBondContact O-N 2.71Å |
| 240 | Q | 88.1 | Confident | 84 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 171 | -88.4 | -179.1 | -36.6 | 0 | 0 | 112.4 | A236 I237 T238 I243 L244 | A236-Q240 PolarHBondContact O-N 3.15Å; I237-Q240 PolarHBondContact O-N 3.07Å; T238-Q240 PolarHBondContact O-N 3.34Å; Q240-I243 PolarHBondContact O-N 2.88Å; Q240-L244 WeakPolarHBondContact O-CB 3.26Å; Q240-L244 PolarHBondContact O-N 3.48Å |
| 241 | K | 83.7 | Confident | 84.5 | Confident | 128 Ų | 128 | 96 Ų | 96 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 175.4 | -74.3 | 178.9 | 178.2 | -177.5 | 0 | 111.7 | I237 T238 T239 I243 L244 I245 | I237-K241 HydrophobicContact CG2-CD 4.41Å; I237-K241 WeakPolarHBondContact O-CG 3.42Å; I237-K241 PolarHBondContact O-N 3.29Å; T238-K241 WeakPolarHBondContact O-CB 3.27Å; T238-K241 PolarHBondContact O-N 3.48Å; T238-K241 VanDerWaalsContact O-N 3.16Å; T239-K241 VanDerWaalsContact C-N 3.35Å; T239-K241 PolarHBondContact O-N 3.28Å; K241-I243 VanDerWaalsContact C-N 3.34Å; K241-I243 PolarHBondContact O-N 3.16Å; K241-L244 PolarHBondContact O-N 2.76Å; K241-I245 WeakPolarHBondContact O-CB 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.24Å; K241-I245 WeakPolarHBondContact O-CG1 3.08Å; K241-I245 PolarHBondContact O-N 3.24Å |
| 242 | D | 88.5 | Confident | 84.8 | Confident | 86 Ų | 86 | 96 Ų | 96 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 176.4 | -73 | -24.1 | 0 | 0 | 0 | 112.5 | T238 T239 K246 | T238-D242 PolarHBondContact O-N 2.95Å; T239-D242 PolarHBondContact O-N 3.44Å; D242-K246 WeakPolarHBondContact O-CB 3.37Å; D242-K246 WeakPolarHBondContact O-CG 3.45Å; D242-K246 PolarHBondContact O-N 3.29Å |
| 243 | I | 89.6 | Confident | 84.9 | Confident | 117 Ų | 117 | 96.8 Ų | 96.8 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 173.6 | -67.9 | 164.3 | 0 | 0 | 0 | 110.5 | T239 Q240 K241 K246 H247 | T239-I243 WeakPolarHBondContact O-CD1 3.5Å; T239-I243 VanDerWaalsContact O-CG1 3.24Å; T239-I243 WeakPolarHBondContact O-CG1 3.45Å; T239-I243 PolarHBondContact O-N 2.71Å; Q240-I243 PolarHBondContact O-N 2.88Å; K241-I243 VanDerWaalsContact C-N 3.34Å; K241-I243 PolarHBondContact O-N 3.16Å; I243-K246 PolarHBondContact O-N 2.92Å; I243-H247 WeakPolarHBondContact O-CB 3.4Å; I243-H247 PolarHBondContact O-N 3.13Å |
| 244 | L | 90.9 | Very high | 84.8 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 177.3 | -175.2 | 66.3 | 0 | 0 | 0 | 111.6 | Q240 K241 H247 L248 | Q240-L244 WeakPolarHBondContact O-CB 3.26Å; Q240-L244 PolarHBondContact O-N 3.48Å; K241-L244 PolarHBondContact O-N 2.76Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.35Å; L244-L248 HydrophobicContact CG-CD1 4.18Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.47Å |
| 245 | I | 86.7 | Confident | 84.8 | Confident | 84 Ų | 84 | 98.2 Ų | 98.2 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.1 | -69.7 | 165.5 | 0 | 0 | 0 | 110.1 | K241 H247 L248 Q249 | K241-I245 WeakPolarHBondContact O-CB 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.24Å; K241-I245 WeakPolarHBondContact O-CG1 3.08Å; K241-I245 PolarHBondContact O-N 3.24Å; I245-H247 VanDerWaalsContact C-N 3.31Å; I245-H247 PolarHBondContact O-N 2.67Å; I245-L248 PolarHBondContact O-N 3.49Å; I245-Q249 HydrophobicContact CG2-CG 4.33Å; I245-Q249 WeakPolarHBondContact O-CB 3.41Å; I245-Q249 VanDerWaalsContact O-CG 3.26Å; I245-Q249 WeakPolarHBondContact O-CG 3.39Å; I245-Q249 PolarHBondContact O-N 3.27Å |
| 246 | K | 89.2 | Confident | 84.5 | Confident | 148 Ų | 148 | 95 Ų | 95 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.1 | -39.4 | 174.1 | -79.2 | -179.9 | 179.1 | 175.5 | 0 | 112.3 | D242 I243 N250 | D242-K246 WeakPolarHBondContact O-CB 3.37Å; D242-K246 WeakPolarHBondContact O-CG 3.45Å; D242-K246 PolarHBondContact O-N 3.29Å; I243-K246 PolarHBondContact O-N 2.92Å; K246-N250 WeakPolarHBondContact O-CB 3.31Å; K246-N250 PolarHBondContact O-N 2.8Å |
| 247 | H | 91 | Very high | 84.1 | Confident | 104 Ų | 104 | 99.1 Ų | 99.1 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 177.1 | -171.5 | 71.3 | 0 | 0 | 0 | 111.5 | I243 L244 I245 N250 Q251 | I243-H247 WeakPolarHBondContact O-CB 3.4Å; I243-H247 PolarHBondContact O-N 3.13Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.35Å; I245-H247 VanDerWaalsContact C-N 3.31Å; I245-H247 PolarHBondContact O-N 2.67Å; H247-N250 PolarHBondContact O-N 3.4Å; H247-Q251 PolarHBondContact NE2-NE2 3.19Å; H247-Q251 VanDerWaalsContact NE2-NE2 3.2Å; H247-Q251 WeakPolarHBondContact O-CG 3.34Å; H247-Q251 PolarHBondContact O-N 3.4Å |
| 248 | L | 89.2 | Confident | 83.3 | Confident | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.2 | -69.8 | 170.3 | 0 | 0 | 0 | 111.9 | L244 I245 N250 Q251 I252 | L244-L248 HydrophobicContact CG-CD1 4.18Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.47Å; I245-L248 PolarHBondContact O-N 3.49Å; L248-N250 VanDerWaalsContact C-N 3.28Å; L248-N250 PolarHBondContact O-N 2.67Å; L248-Q251 PolarHBondContact O-N 2.93Å; L248-I252 VanDerWaalsContact O-CG1 3.27Å; L248-I252 WeakPolarHBondContact O-CG1 3.22Å; L248-I252 PolarHBondContact O-N 3.33Å |
| 249 | Q | 88.4 | Confident | 81.9 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 174.4 | -75.7 | 174.4 | -13.6 | 0 | 0 | 112.4 | I245 S253 | I245-Q249 HydrophobicContact CG2-CG 4.33Å; I245-Q249 WeakPolarHBondContact O-CB 3.41Å; I245-Q249 VanDerWaalsContact O-CG 3.26Å; I245-Q249 WeakPolarHBondContact O-CG 3.39Å; I245-Q249 PolarHBondContact O-N 3.27Å; Q249-S253 WeakPolarHBondContact O-CB 3.31Å; Q249-S253 PolarHBondContact O-N 3.04Å; Q249-S253 PolarHBondContact O-OG 3.06Å |
| 250 | N | 86 | Confident | 80.1 | Confident | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 177.8 | -153.6 | 6.9 | 0 | 0 | 0 | 111.6 | K246 H247 L248 S253 Q254 | K246-N250 WeakPolarHBondContact O-CB 3.31Å; K246-N250 PolarHBondContact O-N 2.8Å; H247-N250 PolarHBondContact O-N 3.4Å; L248-N250 VanDerWaalsContact C-N 3.28Å; L248-N250 PolarHBondContact O-N 2.67Å; N250-S253 PolarHBondContact O-N 3.36Å; N250-Q254 PolarHBondContact O-N 2.98Å |
| 251 | Q | 85.9 | Confident | 78.2 | Confident | 88 Ų | 88 | 104.9 Ų | 104.9 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 171.7 | -74.7 | -177.1 | -28.3 | 0 | 0 | 111.6 | H247 L248 S253 Q254 I255 | H247-Q251 PolarHBondContact NE2-NE2 3.19Å; H247-Q251 VanDerWaalsContact NE2-NE2 3.2Å; H247-Q251 WeakPolarHBondContact O-CG 3.34Å; H247-Q251 PolarHBondContact O-N 3.4Å; L248-Q251 PolarHBondContact O-N 2.93Å; Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 2.98Å; Q251-Q254 PolarHBondContact O-N 3.44Å; Q251-I255 VanDerWaalsContact O-CG1 3.3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.32Å; Q251-I255 PolarHBondContact O-N 2.9Å |
| 252 | I | 79.6 | Confident | 76.2 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 175 | -68.8 | 164.8 | 0 | 0 | 0 | 110.9 | L248 I255 N256 | L248-I252 VanDerWaalsContact O-CG1 3.27Å; L248-I252 WeakPolarHBondContact O-CG1 3.22Å; L248-I252 PolarHBondContact O-N 3.33Å; I252-I255 PolarHBondContact O-N 3.13Å; I252-N256 WeakPolarHBondContact O-CB 3.45Å; I252-N256 VanDerWaalsContact O-CG 3.31Å; I252-N256 PolarHBondContact O-N 2.95Å; I252-N256 PolarHBondContact O-ND2 2.85Å |
| 253 | S | 81.7 | Confident | 73.6 | Confident | 66 Ų | 66 | 109.6 Ų | 109.6 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.4 | -67 | 0 | 0 | 0 | 0 | 112.6 | Q249 N250 Q251 N256 Q257 | Q249-S253 WeakPolarHBondContact O-CB 3.31Å; Q249-S253 PolarHBondContact O-N 3.04Å; Q249-S253 PolarHBondContact O-OG 3.06Å; N250-S253 PolarHBondContact O-N 3.36Å; Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 2.98Å; S253-N256 PolarHBondContact O-N 3.16Å; S253-Q257 PolarHBondContact O-N 2.79Å |
| 254 | Q | 75.9 | Confident | 70.9 | Confident | 107 Ų | 107 | 111.2 Ų | 111.2 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 174.5 | -75.1 | 179.5 | 14.8 | 0 | 0 | 111.8 | N250 Q251 N256 Q257 I258 | N250-Q254 PolarHBondContact O-N 2.98Å; Q251-Q254 PolarHBondContact O-N 3.44Å; Q254-N256 VanDerWaalsContact C-N 3.3Å; Q254-N256 PolarHBondContact O-N 3.44Å; Q254-Q257 PolarHBondContact O-N 3.23Å; Q254-I258 WeakPolarHBondContact O-CG1 3.35Å; Q254-I258 PolarHBondContact O-N 2.85Å |
| 255 | I | 73.9 | Confident | 68.1 | Low | 95 Ų | 95 | 111.7 Ų | 111.7 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.3 | -42.2 | 174.7 | -69.7 | 164.7 | 0 | 0 | 0 | 110.5 | Q251 I252 Q257 I258 N259 | Q251-I255 VanDerWaalsContact O-CG1 3.3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.32Å; Q251-I255 PolarHBondContact O-N 2.9Å; I252-I255 PolarHBondContact O-N 3.13Å; I255-Q257 PolarHBondContact O-N 3.19Å; I255-I258 PolarHBondContact O-N 3.14Å; I255-N259 WeakPolarHBondContact O-CB 3.41Å; I255-N259 PolarHBondContact O-N 3.45Å |
| 256 | N | 72.2 | Confident | 65.3 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.2 | -32.4 | 176.7 | -77.8 | -25.9 | 0 | 0 | 0 | 113.1 | I252 S253 Q254 R260 | I252-N256 WeakPolarHBondContact O-CB 3.45Å; I252-N256 VanDerWaalsContact O-CG 3.31Å; I252-N256 PolarHBondContact O-N 2.95Å; I252-N256 PolarHBondContact O-ND2 2.85Å; S253-N256 PolarHBondContact O-N 3.16Å; Q254-N256 VanDerWaalsContact C-N 3.3Å; Q254-N256 PolarHBondContact O-N 3.44Å; N256-R260 WeakPolarHBondContact O-CB 3.28Å; N256-R260 WeakPolarHBondContact O-CG 3.33Å; N256-R260 PolarHBondContact O-N 3.31Å |
| 257 | Q | 72.3 | Confident | 62.5 | Low | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.2 | -41.7 | 170.8 | -96.4 | -176.1 | -8 | 0 | 0 | 111.8 | S253 Q254 I255 R260 L261 | S253-Q257 PolarHBondContact O-N 2.79Å; Q254-Q257 PolarHBondContact O-N 3.23Å; I255-Q257 PolarHBondContact O-N 3.19Å; Q257-R260 PolarHBondContact O-N 2.87Å; Q257-L261 WeakPolarHBondContact O-CG 3.44Å; Q257-L261 PolarHBondContact O-N 3.11Å |
| 258 | I | 66.5 | Low | 59.3 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.5 | -43.9 | 175.6 | -67.2 | 166.3 | 0 | 0 | 0 | 110.2 | Q254 I255 R260 L261 F262 | Q254-I258 WeakPolarHBondContact O-CG1 3.35Å; Q254-I258 PolarHBondContact O-N 2.85Å; I255-I258 PolarHBondContact O-N 3.14Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-L261 PolarHBondContact O-N 3.47Å; I258-L261 VanDerWaalsContact O-N 3.15Å; I258-F262 HydrophobicContact CG2-CD2 4.12Å; I258-F262 HydrophobicContact CG2-CE2 4.39Å; I258-F262 PolarHBondContact O-N 2.95Å |
| 259 | N | 54.7 | Low | 56.2 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 43% | 0.428 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65 | -36.9 | 176.5 | -81.7 | -15.5 | 0 | 0 | 0 | 112.4 | I255 L261 F262 H263 | I255-N259 WeakPolarHBondContact O-CB 3.41Å; I255-N259 PolarHBondContact O-N 3.45Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-F262 PolarHBondContact O-N 2.84Å; N259-H263 PolarHBondContact O-CD2 3.15Å; N259-H263 PolarHBondContact O-N 3.3Å |
| 260 | R | 48 | Very low | 53.3 | Low | 173 Ų | 173 | 115.2 Ų | 115.2 | 65% | 0.653 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -35.1 | 172.4 | -77.6 | -169.2 | -115.6 | -135.7 | 2.1 | 112.4 | N256 Q257 I258 F262 H263 H264 | N256-R260 WeakPolarHBondContact O-CB 3.28Å; N256-R260 WeakPolarHBondContact O-CG 3.33Å; N256-R260 PolarHBondContact O-N 3.31Å; Q257-R260 PolarHBondContact O-N 2.87Å; I258-R260 PolarHBondContact O-N 2.96Å; R260-F262 VanDerWaalsContact C-N 3.31Å; R260-F262 PolarHBondContact O-N 3.46Å; R260-H263 PolarHBondContact O-N 3.34Å; R260-H264 PolarHBondContact O-CD2 3.2Å; R260-H264 VanDerWaalsContact O-CD2 3.23Å |
| 261 | L | 48.2 | Very low | 50.2 | Low | 134 Ų | 134 | 117.7 Ų | 117.7 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -26 | 174.3 | -73.1 | 170.2 | 0 | 0 | 0 | 113 | Q257 I258 N259 | Q257-L261 WeakPolarHBondContact O-CG 3.44Å; Q257-L261 PolarHBondContact O-N 3.11Å; I258-L261 PolarHBondContact O-N 3.47Å; I258-L261 VanDerWaalsContact O-N 3.15Å; N259-L261 VanDerWaalsContact C-N 3.34Å |
| 262 | F | 41.6 | Very low | 47.3 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 70% | 0.697 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.9 | -11.8 | 173.4 | -94.7 | -84.3 | 0 | 0 | 0 | 114.7 | I258 N259 R260 | I258-F262 HydrophobicContact CG2-CD2 4.12Å; I258-F262 HydrophobicContact CG2-CE2 4.39Å; I258-F262 PolarHBondContact O-N 2.95Å; N259-F262 PolarHBondContact O-N 2.84Å; R260-F262 VanDerWaalsContact C-N 3.31Å; R260-F262 PolarHBondContact O-N 3.46Å |
| 263 | H | 33.9 | Very low | 44.7 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 15.8 | 176.7 | -71.8 | -57.4 | 0 | 0 | 0 | 114.6 | N259 R260 | N259-H263 PolarHBondContact O-CD2 3.15Å; N259-H263 PolarHBondContact O-N 3.3Å; R260-H263 PolarHBondContact O-N 3.34Å |
| 264 | H | 33.4 | Very low | 42 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -119 | 53.3 | 173.2 | -62.5 | -36.7 | 0 | 0 | 0 | 112.2 | R260 | R260-H264 PolarHBondContact O-CD2 3.2Å; R260-H264 VanDerWaalsContact O-CD2 3.23Å |
| 265 | S | 31.7 | Very low | 39.6 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -155 | 58.3 | 165.5 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 266 | G | 27.4 | Very low | 37.3 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | trans | 176.8 | 88.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 267 | N | 30.7 | Very low | 35 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 94% | 0.936 | 73% | 0.731 | S | S | * | * | trans | -169.5 | 101.2 | 149.7 | -90.2 | -16.8 | 0 | 0 | 0 | 108.9 | ||||
| 268 | C | 23.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -83.4 | 129.4 | 166 | -78.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 269 | T | 25.6 | Very low | 30.7 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 31.9 | 131 | 143.7 | 51.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 270 | P | 26.4 | Very low | 29.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | -143.3 | 135.8 | 95.4 | 34.1 | -17.4 | 0 | 0 | 0 | 116 | |||||
| 271 | I | 21.2 | Very low | 28.3 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 48.5 | 113.2 | 132.1 | -54.8 | 169.5 | 0 | 0 | 0 | 118.2 | ||||
| 272 | L | 25.4 | Very low | 27.2 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | -163.7 | 115 | 128.2 | -91.7 | -178.4 | 0 | 0 | 0 | 109.7 | |||||
| 273 | T | 24.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | -92.9 | 141.2 | 171.4 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 274 | P | 26.2 | Very low | 26 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -146.8 | 127.8 | 107.2 | 33.1 | -14.9 | 0 | 0 | 0 | 113 | |||||
| 275 | R | 23.8 | Very low | 25.6 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | 77.4 | 98.1 | 95.6 | -158.8 | -179.5 | -140.1 | 148.4 | 4.8 | 115.7 | |||||
| 276 | N | 26.2 | Very low | 25.3 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -178 | 97.1 | 137.9 | -94.5 | -15.9 | 0 | 0 | 0 | 107.4 | ||||
| 277 | T | 24 | Very low | 25.1 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | 54.7 | 99.3 | 100.8 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 278 | S | 25.1 | Very low | 24.8 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | 172 | 125 | 116.5 | 42.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 279 | L | 24.4 | Very low | 24.8 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | trans | 64.6 | 138.6 | 134.6 | -57.9 | 166.5 | 0 | 0 | 0 | 118.9 | ||||
| 280 | I | 25.4 | Very low | 24.8 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 60% | 0.6 | 74% | 0.739 | S | S | * | * | cis | 176.6 | 141.1 | -14.7 | -120.4 | -177.2 | 0 | 0 | 0 | 103.2 | ||||
| 281 | E | 25.1 | Very low | 24.6 | Very low | 152 Ų | 152 | 141 Ų | 141 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | trans | 61.7 | 151.3 | 149.5 | -69.4 | 174.1 | -168 | 0 | 0 | 119.8 | ||||
| 282 | N | 26.8 | Very low | 24.8 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | cis | -163.9 | 133.4 | 0.1 | -103.1 | -27 | 0 | 0 | 0 | 107.8 | ||||
| 283 | H | 26.1 | Very low | 24.7 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | 44.6 | 130.4 | 127.9 | -74.1 | -51.1 | 0 | 0 | 0 | 124.1 | |||||
| 284 | T | 24.2 | Very low | 25 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | 75.6 | 145.3 | 127.8 | 62.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 285 | Q | 23.5 | Very low | 24.8 | Very low | 154 Ų | 154 | 140 Ų | 140 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | cis | -175 | 149.1 | 4.8 | -125 | 172.8 | -37 | 0 | 0 | 108.5 | ||||
| 286 | T | 25.1 | Very low | 24.8 | Very low | 92 Ų | 92 | 134 Ų | 134 | 56% | 0.564 | 73% | 0.728 | S | S | * | * | trans | 56.3 | 120 | 134.4 | 60.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 287 | D | 23.9 | Very low | 24.8 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | 90.4 | 147.3 | 100.9 | -68.2 | -19.5 | 0 | 0 | 0 | 109.9 | |||||
| 288 | T | 24.8 | Very low | 24.9 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | cis | -166.7 | 134.5 | 27.3 | -16.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 289 | V | 23.4 | Very low | 24.8 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | 33.6 | 120.4 | 129.3 | -172 | 0 | 0 | 0 | 0 | 119.3 | Y291 | V289-Y291 HydrophobicContact CG1-CD2 4.26Å; V289-Y291 HydrophobicContact CG1-CE2 4.42Å | |||
| 290 | Q | 25.7 | Very low | 24.8 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | trans | -158 | 121.5 | 130 | -119.4 | 169.3 | -11 | 0 | 0 | 114.7 | ||||
| 291 | Y | 20.6 | Very low | 24.9 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 74% | 0.737 | 74% | 0.744 | S | S | * | * | trans | -28.9 | 141.1 | 163.3 | -78.9 | -104.5 | 0 | 0 | 0 | 117.3 | V289 | V289-Y291 HydrophobicContact CG1-CD2 4.26Å; V289-Y291 HydrophobicContact CG1-CE2 4.42Å | ||
| 292 | V | 27 | Very low | 24.8 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | -153.2 | 121.9 | 120.9 | 177 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 293 | N | 23.4 | Very low | 24.6 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -67.7 | 132.8 | 168.6 | -82.6 | -42.8 | 0 | 0 | 0 | 111.4 | ||||
| 294 | L | 29.6 | Very low | 24.6 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -133 | 103.1 | 155 | -83.6 | 164.1 | 0 | 0 | 0 | 108.1 | ||||
| 295 | S | 23.7 | Very low | 24.5 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -85.3 | 147 | 175.7 | 105.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 296 | S | 22.4 | Very low | 24.8 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 103 | 141.5 | -46.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 297 | N | 27.6 | Very low | 24.7 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -146.9 | 138.6 | 138.6 | -115.2 | -13 | 0 | 0 | 0 | 112.9 | ||||
| 298 | Q | 24.4 | Very low | 25 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 142.5 | -167.8 | -65.7 | 160.8 | -27.6 | 0 | 0 | 111.9 | ||||
| 299 | I | 23.1 | Very low | 25.1 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -125.5 | 114.1 | 160.8 | -59.4 | 171.6 | 0 | 0 | 0 | 106.2 | ||||
| 300 | P | 25.7 | Very low | 25.1 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | trans | -140 | 144.7 | 144.7 | 14.9 | 8 | 0 | 0 | 0 | 113.8 | ||||
| 301 | H | 25.9 | Very low | 25.3 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 73.4 | 149.7 | 159.8 | -65 | -63.7 | 0 | 0 | 0 | 118.2 | ||||
| 302 | H | 23.3 | Very low | 25.5 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | cis | 177.7 | 139.6 | -21.2 | -159.2 | -12.2 | 0 | 0 | 0 | 103.9 | ||||
| 303 | I | 22.3 | Very low | 25.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | trans | 63.2 | 121.2 | 156.4 | -67.1 | 145 | 0 | 0 | 0 | 119 | ||||
| 304 | Q | 27.1 | Very low | 25.7 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | -179.5 | 106.7 | 116.5 | -140.9 | 117.8 | 34.2 | 0 | 0 | 107.2 | |||||
| 305 | Q | 23.1 | Very low | 25.6 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | 43.3 | 139.8 | 92.1 | -75.2 | -167.6 | 8.2 | 0 | 0 | 117.3 | |||||
| 306 | N | 28.1 | Very low | 25.9 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | 90 | 112.7 | -179.3 | -59.3 | -16.9 | 0 | 0 | 0 | 113.7 | ||||
| 307 | G | 24 | Very low | 26 | Very low | 76 Ų | 76 | 154.6 Ų | 154.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | cis | 99.8 | 69.2 | 31 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 308 | Q | 30.3 | Very low | 25.9 | Very low | 197 Ų | 197 | 150.5 Ų | 150.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -133.3 | 125 | 166.2 | -78.4 | -172.3 | -21 | 0 | 0 | 110.1 | ||||
| 309 | Q | 25.6 | Very low | 26.3 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 155.8 | -179 | -64.6 | 173.9 | -12.7 | 0 | 0 | 111.2 | ||||
| 310 | N | 24.9 | Very low | 26.4 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 52.1 | 110.3 | 145.2 | -68.4 | -22.2 | 0 | 0 | 0 | 118.5 | ||||
| 311 | V | 28.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | -165.9 | 128.8 | 106.6 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 312 | P | 25.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -88.9 | 114.9 | 175.1 | 30.8 | -24.1 | 0 | 0 | 0 | 111.2 | ||||
| 313 | V | 30.5 | Very low | 26.9 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -98.6 | 104.4 | 170 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | I315 | V313-I315 HydrophobicContact CG1-CD1 4.22Å; V313-I315 HydrophobicContact CG1-CG1 4.08Å | ||
| 314 | R | 24 | Very low | 27 | Very low | 243 Ų | 243 | 150 Ų | 150 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -84.7 | 107.7 | 170.5 | 173.5 | -175.1 | -103 | -172.4 | -5.4 | 108.2 | ||||
| 315 | I | 28.5 | Very low | 27 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 80% | 0.795 | 82% | 0.821 | S | S | * | * | trans | -125.7 | 136.9 | 160.3 | -60.5 | 179.7 | 0 | 0 | 0 | 109 | V313 | V313-I315 HydrophobicContact CG1-CD1 4.22Å; V313-I315 HydrophobicContact CG1-CG1 4.08Å | ||
| 316 | R | 28.2 | Very low | 27.2 | Very low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -85.6 | 147.4 | -158.9 | -149.4 | 176.4 | -164.1 | 168.9 | 1.7 | 111.4 | ||||
| 317 | P | 25.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -87.3 | 149.5 | 173.7 | 33.6 | -32 | 0 | 0 | 0 | 112.2 | ||||
| 318 | G | 26.3 | Very low | 27.4 | Very low | 73 Ų | 73 | 150.1 Ų | 150.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 137.9 | 92.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 319 | S | 30.9 | Very low | 27.2 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -157.6 | 101.2 | 148 | -26.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | T | 25.2 | Very low | 27.5 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | -92.7 | 174.6 | 154.7 | 48 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 321 | P | 31.9 | Very low | 27.7 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | cis | -129.1 | 158.1 | -41.3 | 34.5 | -18.1 | 0 | 0 | 0 | 111.1 | ||||
| 322 | S | 28.1 | Very low | 27.6 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -146.9 | 128.9 | 161.7 | -86.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 323 | Q | 26.1 | Very low | 27.8 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -72.2 | 123.8 | -176.9 | -60.5 | -179.1 | -6.8 | 0 | 0 | 109.9 | ||||
| 324 | M | 24.6 | Very low | 27.6 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -97.9 | 106.1 | 160.7 | -82.2 | -178.9 | 103 | 0 | 0 | 108.2 | ||||
| 325 | K | 26.5 | Very low | 28.1 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -99.7 | 100.4 | 177.4 | -163.5 | 177.7 | -172.7 | -179.3 | 0 | 106.6 | ||||
| 326 | L | 27.7 | Very low | 28.1 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -87.6 | 112.7 | 166.4 | -100.3 | 85 | 0 | 0 | 0 | 107.9 | ||||
| 327 | S | 25.8 | Very low | 28.1 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | trans | -114.4 | 109.8 | 171.8 | -178.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 328 | T | 31.4 | Very low | 28.5 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -92 | 114.5 | 174 | -14.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 329 | N | 26.2 | Very low | 28.7 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 72% | 0.717 | 82% | 0.821 | S | S | * | * | trans | -76.9 | 128.5 | 170.8 | -67 | -29.4 | 0 | 0 | 0 | 108.5 | ||||
| 330 | D | 30.1 | Very low | 28.9 | Very low | 162 Ų | 162 | 154 Ų | 154 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -153.2 | 101.7 | 150.6 | -92.7 | -34.3 | 0 | 0 | 0 | 109.4 | ||||
| 331 | T | 29.3 | Very low | 29.2 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 117.5 | 172.5 | 30 | 0 | 0 | 0 | 0 | 109.8 | ||
| 332 | M | 28.1 | Very low | 29.3 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 93% | 0.931 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.4 | 170.7 | -86.8 | -83.3 | 158.8 | 0 | 0 | 111.9 | ||
| 333 | L | 28.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 157 Ų | 157 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 149.7 | 170.2 | -84.9 | 153.1 | 0 | 0 | 0 | 111.5 | ||
| 334 | T | 26.5 | Very low | 30.1 | Very low | 117 Ų | 117 | 157.2 Ų | 157.2 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | trans | -42.6 | 132.2 | 166.8 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 335 | N | 34.9 | Very low | 30.9 | Very low | 172 Ų | 172 | 156 Ų | 156 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -153.9 | 146 | 148.8 | -96.8 | -29.2 | 0 | 0 | 0 | 112.4 | ||||
| 336 | Q | 27.9 | Very low | 32 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -86.9 | 159.8 | -159.9 | -120.5 | 167.7 | -78.1 | 0 | 0 | 114.1 | ||||
| 337 | D | 28.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | trans | 69.3 | 102.9 | 146.9 | -60.3 | -35.1 | 0 | 0 | 0 | 119.7 | ||||
| 338 | H | 34.8 | Very low | 34.9 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | -168.8 | 127.6 | 111 | -92.4 | -52.1 | 0 | 0 | 0 | 111.9 | |||||
| 339 | K | 28.9 | Very low | 36.5 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 123.4 | 171.5 | -74.9 | 170.5 | 171.4 | 173.9 | 0 | 111.2 | ||||
| 340 | I | 36.6 | Very low | 38.3 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 120.3 | 144.3 | -60.5 | -176.4 | 0 | 0 | 0 | 108 | ||||
| 341 | N | 30.1 | Very low | 40.4 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -68.3 | 133.2 | 170.7 | -91 | -16.9 | 0 | 0 | 0 | 110.7 | ||||
| 342 | N | 35.4 | Very low | 42.6 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | 160.8 | 129.7 | 121.3 | -82 | -19.8 | 0 | 0 | 0 | 111.5 | |||||
| 343 | D | 35.7 | Very low | 45 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | 70.1 | 83.3 | 151.6 | -56.1 | -19.5 | 0 | 0 | 0 | 120.9 | L345 | D343-L345 PolarHBondContact O-N 3.31Š| ||
| 344 | H | 33.4 | Very low | 47.3 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.875 | 70% | 0.703 | S | S | * | * | trans | -14.6 | 104.5 | 137.7 | -108.9 | -64.7 | 0 | 0 | 0 | 117 | ||||
| 345 | L | 42.3 | Very low | 49.8 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -148.3 | 79.9 | 145 | -156.5 | 72 | 0 | 0 | 0 | 111.1 | D343 D347 | D343-L345 PolarHBondContact O-N 3.31Å; L345-D347 PolarHBondContact O-N 3.5Å | ||
| 346 | T | 49.3 | Very low | 51.9 | Low | 56 Ų | 56 | 140.3 Ų | 140.3 | 34% | 0.344 | 68% | 0.682 | S | S | . | * | trans | 30.4 | 82.2 | 153.9 | 56.8 | 0 | 0 | 0 | 0 | 118.5 | E348 Q349 | T346-E348 PolarHBondContact O-N 2.91Å; T346-E348 VanDerWaalsContact O-N 3.08Å; T346-Q349 PolarHBondContact O-N 3.39Å | ||
| 347 | D | 51.9 | Low | 54.5 | Low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -52.3 | -23.5 | 162.7 | -112.2 | -17.3 | 0 | 0 | 0 | 113.2 | L345 Q349 L350 L351 | L345-D347 PolarHBondContact O-N 3.5Å; D347-Q349 VanDerWaalsContact C-N 3.25Å; D347-Q349 PolarHBondContact O-N 3.32Å; D347-L350 PolarHBondContact O-N 3.3Å; D347-L351 PolarHBondContact O-N 3.19Å; D347-L351 VanDerWaalsContact O-N 3.12Å |
| 348 | E | 62.7 | Low | 57 | Low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -60.2 | -32 | 174.8 | -166.2 | 169.1 | -168 | 0 | 0 | 112.9 | T346 E352 | T346-E348 PolarHBondContact O-N 2.91Å; T346-E348 VanDerWaalsContact O-N 3.08Å; E348-E352 VanDerWaalsContact O-CB 3.31Å; E348-E352 WeakPolarHBondContact O-CB 3.49Å; E348-E352 PolarHBondContact O-N 3.14Å; E348-E352 VanDerWaalsContact O-N 3.15Å |
| 349 | Q | 64.1 | Low | 59.6 | Low | 135 Ų | 135 | 138.4 Ų | 138.4 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.5 | -34.6 | 178 | -66.6 | -171 | -0.4 | 0 | 0 | 112.7 | T346 D347 K353 | T346-Q349 PolarHBondContact O-N 3.39Å; D347-Q349 VanDerWaalsContact C-N 3.25Å; D347-Q349 PolarHBondContact O-N 3.32Å; Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 3.28Å |
| 350 | L | 65 | Low | 62.2 | Low | 107 Ų | 107 | 134.3 Ų | 134.3 | 56% | 0.56 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.6 | -40.3 | 177.9 | -80.2 | 169.1 | 0 | 0 | 0 | 111.5 | D347 E352 K353 T354 | D347-L350 PolarHBondContact O-N 3.3Å; L350-E352 VanDerWaalsContact C-N 3.32Å; L350-E352 PolarHBondContact O-N 2.81Å; L350-K353 PolarHBondContact O-N 2.78Å; L350-T354 PolarHBondContact O-N 2.79Å; L350-T354 PolarHBondContact O-OG1 3.33Å |
| 351 | L | 74.6 | Confident | 64.5 | Low | 131 Ų | 131 | 131.4 Ų | 131.4 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.1 | -40.8 | 175.3 | -165.1 | 68 | 0 | 0 | 0 | 111 | D347 T354 R355 | D347-L351 PolarHBondContact O-N 3.19Å; D347-L351 VanDerWaalsContact O-N 3.12Å; L351-T354 PolarHBondContact O-N 2.99Å; L351-R355 WeakPolarHBondContact O-CB 3.4Å; L351-R355 PolarHBondContact O-N 3.37Å |
| 352 | E | 75.5 | Confident | 67.2 | Low | 76 Ų | 76 | 128 Ų | 128 | 36% | 0.355 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.2 | -33.8 | 179.2 | -161.1 | 58.9 | -163.2 | 0 | 0 | 112.8 | E348 L350 R355 R356 | E348-E352 VanDerWaalsContact O-CB 3.31Å; E348-E352 WeakPolarHBondContact O-CB 3.49Å; E348-E352 PolarHBondContact O-N 3.14Å; E348-E352 VanDerWaalsContact O-N 3.15Å; L350-E352 VanDerWaalsContact C-N 3.32Å; L350-E352 PolarHBondContact O-N 2.81Å; E352-R355 WeakPolarHBondContact O-CB 3.47Å; E352-R355 PolarHBondContact O-N 3.44Å; E352-R356 WeakPolarHBondContact O-CG 3.28Å; E352-R356 PolarHBondContact O-N 2.94Å |
| 353 | K | 77.1 | Confident | 69.7 | Low | 119 Ų | 119 | 123 Ų | 123 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.8 | -47.8 | 171.1 | -170.3 | -177 | 178.4 | -170.8 | 0 | 111.2 | Q349 L350 R355 R356 E357 | Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 3.28Å; L350-K353 PolarHBondContact O-N 2.78Å; K353-R355 VanDerWaalsContact C-N 3.26Å; K353-R355 PolarHBondContact O-N 3.48Å; K353-R356 PolarHBondContact O-N 2.88Å; K353-E357 VanDerWaalsContact CE-OE1 3.27Å; K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.11Å |
| 354 | T | 77 | Confident | 72.1 | Confident | 79 Ų | 79 | 120.6 Ų | 120.6 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.2 | -37.1 | 177.8 | -51 | 0 | 0 | 0 | 0 | 111.5 | L350 L351 R358 | L350-T354 PolarHBondContact O-N 2.79Å; L350-T354 PolarHBondContact O-OG1 3.33Å; L351-T354 PolarHBondContact O-N 2.99Å; T354-R358 PolarHBondContact O-N 3Å |
| 355 | R | 80.2 | Confident | 74.7 | Confident | 171 Ų | 171 | 115.6 Ų | 115.6 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64 | -44.7 | 175.8 | -166.7 | -178.1 | -172.9 | 123.7 | 1.5 | 112.2 | L351 E352 K353 R358 Q359 | L351-R355 WeakPolarHBondContact O-CB 3.4Å; L351-R355 PolarHBondContact O-N 3.37Å; E352-R355 WeakPolarHBondContact O-CB 3.47Å; E352-R355 PolarHBondContact O-N 3.44Å; K353-R355 VanDerWaalsContact C-N 3.26Å; K353-R355 PolarHBondContact O-N 3.48Å; R355-R358 PolarHBondContact O-N 3.15Å; R355-Q359 PolarHBondContact O-N 2.87Å; R355-Q359 VanDerWaalsContact O-N 3.15Å |
| 356 | R | 79 | Confident | 76.7 | Confident | 146 Ų | 146 | 112 Ų | 112 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -43 | 176.4 | -71.8 | -176.7 | -163.8 | 124 | 5.8 | 112.2 | E352 K353 R358 Q359 I360 | E352-R356 WeakPolarHBondContact O-CG 3.28Å; E352-R356 PolarHBondContact O-N 2.94Å; K353-R356 PolarHBondContact O-N 2.88Å; R356-R358 PolarHBondContact O-N 3.19Å; R356-Q359 WeakPolarHBondContact O-CB 3.38Å; R356-Q359 PolarHBondContact O-N 3.39Å; R356-Q359 VanDerWaalsContact O-N 3.11Å; R356-I360 WeakPolarHBondContact O-CG1 3.46Å; R356-I360 PolarHBondContact O-N 3.12Å |
| 357 | E | 82.4 | Confident | 78.6 | Confident | 95 Ų | 95 | 113.6 Ų | 113.6 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -43.3 | 177.5 | -74 | 174.7 | -174.2 | 0 | 0 | 111.7 | K353 Q359 I360 L361 | K353-E357 VanDerWaalsContact CE-OE1 3.27Å; K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.11Å; E357-Q359 VanDerWaalsContact C-N 3.27Å; E357-Q359 PolarHBondContact O-N 2.95Å; E357-I360 PolarHBondContact O-N 3.14Å; E357-L361 WeakPolarHBondContact O-CG 3.47Å; E357-L361 PolarHBondContact O-N 3.16Å |
| 358 | R | 81.9 | Confident | 80.4 | Confident | 200 Ų | 200 | 111.8 Ų | 111.8 | 76% | 0.755 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.3 | -37.8 | 173 | -111.2 | -176 | -178.7 | -157.3 | 1.2 | 112.9 | T354 R355 R356 S362 | T354-R358 PolarHBondContact O-N 3Å; R355-R358 PolarHBondContact O-N 3.15Å; R356-R358 PolarHBondContact O-N 3.19Å; R358-S362 VanDerWaalsContact O-CB 3.3Å; R358-S362 WeakPolarHBondContact O-CB 3.43Å; R358-S362 PolarHBondContact O-N 2.86Å |
| 359 | Q | 88.3 | Confident | 81.7 | Confident | 141 Ų | 141 | 110.3 Ų | 110.3 | 66% | 0.659 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.5 | -39.7 | -179.8 | -158.3 | 169.6 | 7.4 | 0 | 0 | 111.8 | R355 R356 E357 S362 G363 | R355-Q359 PolarHBondContact O-N 2.87Å; R355-Q359 VanDerWaalsContact O-N 3.15Å; R356-Q359 WeakPolarHBondContact O-CB 3.38Å; R356-Q359 PolarHBondContact O-N 3.39Å; R356-Q359 VanDerWaalsContact O-N 3.11Å; E357-Q359 VanDerWaalsContact C-N 3.27Å; E357-Q359 PolarHBondContact O-N 2.95Å; Q359-S362 PolarHBondContact O-N 3.37Å; Q359-G363 PolarHBondContact O-N 2.77Å |
| 360 | I | 83 | Confident | 82.9 | Confident | 122 Ų | 122 | 110.2 Ų | 110.2 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -47.5 | 174.4 | -65.2 | 165 | 0 | 0 | 0 | 110.5 | R356 E357 S362 G363 L364 | R356-I360 WeakPolarHBondContact O-CG1 3.46Å; R356-I360 PolarHBondContact O-N 3.12Å; E357-I360 PolarHBondContact O-N 3.14Å; I360-S362 VanDerWaalsContact C-N 3.34Å; I360-S362 PolarHBondContact O-N 3.48Å; I360-G363 WeakPolarHBondContact O-CA 3.48Å; I360-G363 PolarHBondContact O-N 3.25Å; I360-G363 VanDerWaalsContact O-N 3.11Å; I360-L364 PolarHBondContact O-N 3.39Å |
| 361 | L | 84.9 | Confident | 84 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | 177.9 | -72.3 | 171 | 0 | 0 | 0 | 111.9 | E357 G363 L364 V365 | E357-L361 WeakPolarHBondContact O-CG 3.47Å; E357-L361 PolarHBondContact O-N 3.16Å; L361-G363 VanDerWaalsContact C-N 3.31Å; L361-G363 PolarHBondContact O-N 2.95Å; L361-L364 PolarHBondContact O-N 3.27Å; L361-V365 VanDerWaalsContact O-CG2 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.44Å |
| 362 | S | 87.3 | Confident | 84.7 | Confident | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | R358 Q359 I360 T366 | R358-S362 VanDerWaalsContact O-CB 3.3Å; R358-S362 WeakPolarHBondContact O-CB 3.43Å; R358-S362 PolarHBondContact O-N 2.86Å; Q359-S362 PolarHBondContact O-N 3.37Å; I360-S362 VanDerWaalsContact C-N 3.34Å; I360-S362 PolarHBondContact O-N 3.48Å; S362-T366 PolarHBondContact O-N 2.81Å; S362-T366 VanDerWaalsContact O-N 3.15Å; S362-T366 PolarHBondContact O-OG1 3.47Å |
| 363 | G | 87.4 | Confident | 85.4 | Confident | 35 Ų | 35 | 106.9 Ų | 106.9 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q359 I360 L361 T366 Q367 | Q359-G363 PolarHBondContact O-N 2.77Å; I360-G363 WeakPolarHBondContact O-CA 3.48Å; I360-G363 PolarHBondContact O-N 3.25Å; I360-G363 VanDerWaalsContact O-N 3.11Å; L361-G363 VanDerWaalsContact C-N 3.31Å; L361-G363 PolarHBondContact O-N 2.95Å; G363-T366 WeakPolarHBondContact CA-OG1 3.14Å; G363-T366 PolarHBondContact O-N 2.87Å; G363-T366 PolarHBondContact O-OG1 3.31Å; G363-Q367 WeakPolarHBondContact O-CB 3.39Å; G363-Q367 PolarHBondContact O-N 3.49Å |
| 364 | L | 86 | Confident | 86.1 | Confident | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.9 | -168.9 | 70.6 | 0 | 0 | 0 | 111.8 | I360 L361 T366 Q367 L368 | I360-L364 PolarHBondContact O-N 3.39Å; L361-L364 PolarHBondContact O-N 3.27Å; L364-T366 VanDerWaalsContact C-N 3.35Å; L364-T366 PolarHBondContact O-N 2.95Å; L364-Q367 PolarHBondContact O-N 3.44Å; L364-L368 HydrophobicContact CG-CD1 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.39Å; L364-L368 WeakPolarHBondContact O-CG 2.9Å; L364-L368 PolarHBondContact O-N 2.89Å |
| 365 | V | 89.4 | Confident | 86.7 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | L361 L368 Q369 | L361-V365 VanDerWaalsContact O-CG2 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.35Å; L361-V365 PolarHBondContact O-N 3.44Å; V365-L368 PolarHBondContact O-N 2.93Å; V365-Q369 WeakPolarHBondContact O-CB 3.13Å; V365-Q369 PolarHBondContact O-N 3.33Å |
| 366 | T | 84.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 176.8 | 39.3 | 0 | 0 | 0 | 0 | 112.4 | S362 G363 L364 K370 | S362-T366 PolarHBondContact O-N 2.81Å; S362-T366 VanDerWaalsContact O-N 3.15Å; S362-T366 PolarHBondContact O-OG1 3.47Å; G363-T366 WeakPolarHBondContact CA-OG1 3.14Å; G363-T366 PolarHBondContact O-N 2.87Å; G363-T366 PolarHBondContact O-OG1 3.31Å; L364-T366 VanDerWaalsContact C-N 3.35Å; L364-T366 PolarHBondContact O-N 2.95Å; T366-K370 WeakPolarHBondContact O-CB 3.35Å; T366-K370 PolarHBondContact O-N 3.15Å; T366-K370 VanDerWaalsContact O-N 3.08Å |
| 367 | Q | 89.1 | Confident | 87.8 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 173.3 | -174.8 | 57.1 | 49 | 0 | 0 | 111.6 | G363 L364 Q369 K370 D371 | G363-Q367 WeakPolarHBondContact O-CB 3.39Å; G363-Q367 PolarHBondContact O-N 3.49Å; L364-Q367 PolarHBondContact O-N 3.44Å; Q367-Q369 PolarHBondContact O-N 2.81Å; Q367-K370 WeakPolarHBondContact O-CB 2.87Å; Q367-K370 PolarHBondContact O-N 3.15Å; Q367-D371 PolarHBondContact NE2-OD1 3.07Å; Q367-D371 VanDerWaalsContact NE2-OD1 3.11Å; Q367-D371 PolarHBondContact NE2-OD2 2.88Å; Q367-D371 PolarHBondContact O-N 3.45Å |
| 368 | L | 90.1 | Very high | 88.2 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.3 | -74.4 | 171.9 | 0 | 0 | 0 | 112.6 | L364 V365 K370 D371 L372 | L364-L368 HydrophobicContact CG-CD1 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.39Å; L364-L368 WeakPolarHBondContact O-CG 2.9Å; L364-L368 PolarHBondContact O-N 2.89Å; V365-L368 PolarHBondContact O-N 2.93Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.21Å; L368-D371 PolarHBondContact O-N 2.81Å; L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 2.8Å |
| 369 | Q | 89.4 | Confident | 88.6 | Confident | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -39.5 | 173.5 | -94.7 | 175.6 | -32.7 | 0 | 0 | 112.4 | V365 Q367 S373 | V365-Q369 WeakPolarHBondContact O-CB 3.13Å; V365-Q369 PolarHBondContact O-N 3.33Å; Q367-Q369 PolarHBondContact O-N 2.81Å; Q369-S373 WeakPolarHBondContact O-CB 3.39Å; Q369-S373 PolarHBondContact O-N 2.83Å |
| 370 | K | 88.9 | Confident | 88.7 | Confident | 132 Ų | 132 | 95.2 Ų | 95.2 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -41.6 | 176 | -171.6 | -179.9 | 180 | -177.9 | 0 | 111.6 | T366 Q367 L368 S373 N374 | T366-K370 WeakPolarHBondContact O-CB 3.35Å; T366-K370 PolarHBondContact O-N 3.15Å; T366-K370 VanDerWaalsContact O-N 3.08Å; Q367-K370 WeakPolarHBondContact O-CB 2.87Å; Q367-K370 PolarHBondContact O-N 3.15Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 3.21Å; K370-S373 PolarHBondContact O-N 2.97Å; K370-N374 PolarHBondContact O-N 3.04Å |
| 371 | D | 88.8 | Confident | 89 | Confident | 66 Ų | 66 | 96.9 Ų | 96.9 | 35% | 0.353 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 178.8 | -69.4 | -21.5 | 0 | 0 | 0 | 112 | Q367 L368 N374 K375 | Q367-D371 PolarHBondContact NE2-OD1 3.07Å; Q367-D371 VanDerWaalsContact NE2-OD1 3.11Å; Q367-D371 PolarHBondContact NE2-OD2 2.88Å; Q367-D371 PolarHBondContact O-N 3.45Å; L368-D371 PolarHBondContact O-N 2.81Å; D371-N374 PolarHBondContact O-N 3.39Å; D371-K375 WeakPolarHBondContact O-CB 3.13Å; D371-K375 WeakPolarHBondContact O-CG 3.41Å; D371-K375 PolarHBondContact O-N 3.48Å |
| 372 | L | 89.5 | Confident | 89.3 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.6 | -48.2 | 170.1 | -96.3 | 156.3 | 0 | 0 | 0 | 111.6 | L368 N374 K375 D376 | L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 2.8Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.35Å; L372-K375 PolarHBondContact O-N 2.75Å; L372-D376 PolarHBondContact O-N 2.76Å |
| 373 | S | 89.8 | Confident | 89.5 | Confident | 67 Ų | 67 | 96.7 Ų | 96.7 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 177 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | Q369 K370 D376 V377 | Q369-S373 WeakPolarHBondContact O-CB 3.39Å; Q369-S373 PolarHBondContact O-N 2.83Å; K370-S373 PolarHBondContact O-N 2.97Å; S373-D376 PolarHBondContact O-N 2.85Å; S373-V377 WeakPolarHBondContact O-CG2 3.47Å; S373-V377 PolarHBondContact O-N 3.42Å |
| 374 | N | 90.9 | Very high | 89.6 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -42 | 175.3 | -85.7 | -19.8 | 0 | 0 | 0 | 112.3 | K370 D371 L372 V377 Q378 | K370-N374 PolarHBondContact O-N 3.04Å; D371-N374 PolarHBondContact O-N 3.39Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.35Å; N374-V377 PolarHBondContact O-N 3.44Å; N374-Q378 WeakPolarHBondContact O-CB 3.47Å; N374-Q378 PolarHBondContact O-N 3.46Å |
| 375 | K | 89.9 | Confident | 89.9 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 175.2 | -76.7 | -170.2 | 179.2 | -176.1 | 0 | 111.7 | D371 L372 V377 Q378 M379 | D371-K375 WeakPolarHBondContact O-CB 3.13Å; D371-K375 WeakPolarHBondContact O-CG 3.41Å; D371-K375 PolarHBondContact O-N 3.48Å; L372-K375 PolarHBondContact O-N 2.75Å; K375-V377 PolarHBondContact O-N 3.03Å; K375-Q378 PolarHBondContact O-N 2.93Å; K375-M379 VanDerWaalsContact O-CB 3.31Å; K375-M379 WeakPolarHBondContact O-CB 3.14Å; K375-M379 PolarHBondContact O-N 3.45Å |
| 376 | D | 92.5 | Very high | 89.9 | Confident | 80 Ų | 80 | 103.9 Ų | 103.9 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 174.2 | -81.4 | -33 | 0 | 0 | 0 | 112.3 | L372 S373 Q378 M379 N380 | L372-D376 PolarHBondContact O-N 2.76Å; S373-D376 PolarHBondContact O-N 2.85Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 3.18Å; D376-M379 PolarHBondContact O-N 3.08Å; D376-N380 WeakPolarHBondContact O-CB 3.48Å; D376-N380 PolarHBondContact O-N 2.72Å; D376-N380 PolarHBondContact O-ND2 3.1Å |
| 377 | V | 89.8 | Confident | 90.1 | Very high | 67 Ų | 67 | 103.5 Ų | 103.5 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | S373 N374 K375 R381 | S373-V377 WeakPolarHBondContact O-CG2 3.47Å; S373-V377 PolarHBondContact O-N 3.42Å; N374-V377 PolarHBondContact O-N 3.44Å; K375-V377 PolarHBondContact O-N 3.03Å; V377-R381 PolarHBondContact O-N 3.42Å; V377-R381 VanDerWaalsContact O-N 3.08Å |
| 378 | Q | 89.9 | Confident | 90.1 | Very high | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 179.5 | -159.2 | 174.3 | 53.1 | 0 | 0 | 111.6 | N374 K375 D376 R381 L382 | N374-Q378 WeakPolarHBondContact O-CB 3.47Å; N374-Q378 PolarHBondContact O-N 3.46Å; K375-Q378 PolarHBondContact O-N 2.93Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 3.18Å; Q378-R381 WeakPolarHBondContact O-CB 3.44Å; Q378-R381 PolarHBondContact O-N 3.01Å; Q378-L382 PolarHBondContact O-N 3.32Å |
| 379 | M | 90.7 | Very high | 90 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 47% | 0.473 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 177.6 | -156.4 | -116.2 | -58.1 | 0 | 0 | 111.6 | K375 D376 R381 L382 N383 | K375-M379 VanDerWaalsContact O-CB 3.31Å; K375-M379 WeakPolarHBondContact O-CB 3.14Å; K375-M379 PolarHBondContact O-N 3.45Å; D376-M379 PolarHBondContact O-N 3.08Å; M379-R381 VanDerWaalsContact C-N 3.33Å; M379-R381 PolarHBondContact O-N 3.46Å; M379-L382 PolarHBondContact O-N 3.1Å; M379-N383 WeakPolarHBondContact O-CB 3.34Å; M379-N383 PolarHBondContact O-N 3.32Å; M379-N383 PolarHBondContact O-ND2 2.94Å |
| 380 | N | 90.1 | Very high | 90.1 | Very high | 104 Ų | 104 | 106.7 Ų | 106.7 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -35.8 | 172.4 | -78.3 | -46.9 | 0 | 0 | 0 | 113 | D376 K384 | D376-N380 WeakPolarHBondContact O-CB 3.48Å; D376-N380 PolarHBondContact O-N 2.72Å; D376-N380 PolarHBondContact O-ND2 3.1Å; N380-K384 PolarHBondContact O-N 2.88Å; N380-K384 VanDerWaalsContact O-N 3.12Å |
| 381 | R | 90.1 | Very high | 90.2 | Very high | 157 Ų | 157 | 105.5 Ų | 105.5 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -48.6 | 175.9 | -133.8 | -179.8 | -76.5 | 165.1 | -6 | 110.9 | V377 Q378 M379 N383 K384 E385 | V377-R381 PolarHBondContact O-N 3.42Å; V377-R381 VanDerWaalsContact O-N 3.08Å; Q378-R381 WeakPolarHBondContact O-CB 3.44Å; Q378-R381 PolarHBondContact O-N 3.01Å; M379-R381 VanDerWaalsContact C-N 3.33Å; M379-R381 PolarHBondContact O-N 3.46Å; R381-N383 PolarHBondContact O-N 3.26Å; R381-K384 WeakPolarHBondContact O-CB 3.33Å; R381-K384 PolarHBondContact O-N 3.43Å; R381-K384 VanDerWaalsContact O-N 3.14Å; R381-E385 PolarHBondContact O-N 2.91Å; R381-E385 VanDerWaalsContact O-N 3.08Å |
| 382 | L | 90.4 | Very high | 90.2 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.3 | -72.8 | 169.2 | 0 | 0 | 0 | 112.5 | Q378 M379 K384 E385 L386 | Q378-L382 PolarHBondContact O-N 3.32Å; M379-L382 PolarHBondContact O-N 3.1Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.11Å; L382-E385 PolarHBondContact O-N 3.37Å; L382-L386 PolarHBondContact O-N 2.83Å |
| 383 | N | 91.4 | Very high | 90.2 | Very high | 80 Ų | 80 | 107.3 Ų | 107.3 | 43% | 0.428 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 175 | -84.5 | -27.6 | 0 | 0 | 0 | 112.4 | M379 R381 L386 S387 | M379-N383 WeakPolarHBondContact O-CB 3.34Å; M379-N383 PolarHBondContact O-N 3.32Å; M379-N383 PolarHBondContact O-ND2 2.94Å; R381-N383 PolarHBondContact O-N 3.26Å; N383-L386 PolarHBondContact O-N 3.19Å; N383-S387 PolarHBondContact O-N 2.91Å |
| 384 | K | 91.2 | Very high | 90.2 | Very high | 152 Ų | 152 | 107.8 Ų | 107.8 | 66% | 0.661 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.8 | -40.9 | 177 | -156.6 | 177.3 | -174.9 | -178.8 | 0 | 111.8 | N380 R381 L382 S387 Q388 | N380-K384 PolarHBondContact O-N 2.88Å; N380-K384 VanDerWaalsContact O-N 3.12Å; R381-K384 WeakPolarHBondContact O-CB 3.33Å; R381-K384 PolarHBondContact O-N 3.43Å; R381-K384 VanDerWaalsContact O-N 3.14Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.11Å; K384-S387 PolarHBondContact O-N 3.42Å; K384-Q388 PolarHBondContact O-N 2.86Å |
| 385 | E | 91.6 | Very high | 90.2 | Very high | 102 Ų | 102 | 109.5 Ų | 109.5 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 174.2 | -70.9 | 171.5 | -169.4 | 0 | 0 | 111.5 | R381 L382 S387 Q388 M389 | R381-E385 PolarHBondContact O-N 2.91Å; R381-E385 VanDerWaalsContact O-N 3.08Å; L382-E385 PolarHBondContact O-N 3.37Å; E385-S387 PolarHBondContact O-N 2.73Å; E385-Q388 PolarHBondContact O-N 2.89Å; E385-M389 WeakPolarHBondContact O-CG 3.47Å; E385-M389 PolarHBondContact O-N 2.92Å |
| 386 | L | 88.6 | Confident | 90.1 | Very high | 115 Ų | 115 | 109.3 Ų | 109.3 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 173.6 | -85 | 172.5 | 0 | 0 | 0 | 112.5 | L382 N383 Q388 M389 K390 | L382-L386 PolarHBondContact O-N 2.83Å; N383-L386 PolarHBondContact O-N 3.19Å; L386-Q388 VanDerWaalsContact C-N 3.34Å; L386-Q388 PolarHBondContact O-N 3.11Å; L386-M389 PolarHBondContact O-N 3.35Å; L386-K390 WeakPolarHBondContact O-CB 3.17Å; L386-K390 PolarHBondContact O-N 3.49Å |
| 387 | S | 88.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 109.6 Ų | 109.6 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.6 | -98.8 | 0 | 0 | 0 | 0 | 112.7 | N383 K384 E385 K390 N391 | N383-S387 PolarHBondContact O-N 2.91Å; K384-S387 PolarHBondContact O-N 3.42Å; E385-S387 PolarHBondContact O-N 2.73Å; S387-K390 PolarHBondContact O-N 3.48Å; S387-N391 PolarHBondContact O-N 2.93Å; S387-N391 VanDerWaalsContact O-N 3.13Å |
| 388 | Q | 90.4 | Very high | 90 | Very high | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 175.5 | -76.5 | 179.3 | -18.4 | 0 | 0 | 111.9 | K384 E385 L386 K390 N391 Q392 | K384-Q388 PolarHBondContact O-N 2.86Å; E385-Q388 PolarHBondContact O-N 2.89Å; L386-Q388 VanDerWaalsContact C-N 3.34Å; L386-Q388 PolarHBondContact O-N 3.11Å; Q388-K390 VanDerWaalsContact C-N 3.28Å; Q388-K390 PolarHBondContact O-N 2.89Å; Q388-N391 PolarHBondContact O-N 2.91Å; Q388-Q392 WeakPolarHBondContact O-CG 3.31Å; Q388-Q392 PolarHBondContact O-N 3.35Å |
| 389 | M | 87.9 | Confident | 89.7 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -39 | 176.2 | -73.1 | -60.4 | -62 | 0 | 0 | 111.9 | E385 L386 Q392 L393 | E385-M389 WeakPolarHBondContact O-CG 3.47Å; E385-M389 PolarHBondContact O-N 2.92Å; L386-M389 PolarHBondContact O-N 3.35Å; M389-Q392 PolarHBondContact O-N 3.47Å; M389-L393 PolarHBondContact O-N 3.24Å |
| 390 | K | 91.3 | Very high | 89.4 | Confident | 150 Ų | 150 | 107.3 Ų | 107.3 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 176.5 | -167.6 | 174 | -177.8 | 177.8 | 0 | 112.3 | L386 S387 Q388 L393 T394 | L386-K390 WeakPolarHBondContact O-CB 3.17Å; L386-K390 PolarHBondContact O-N 3.49Å; S387-K390 PolarHBondContact O-N 3.48Å; Q388-K390 VanDerWaalsContact C-N 3.28Å; Q388-K390 PolarHBondContact O-N 2.89Å; K390-L393 WeakPolarHBondContact O-CB 3.39Å; K390-L393 PolarHBondContact O-N 3.37Å; K390-T394 PolarHBondContact O-N 2.91Å; K390-T394 VanDerWaalsContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 2.83Å |
| 391 | N | 90.2 | Very high | 89.3 | Confident | 106 Ų | 106 | 107.6 Ų | 107.6 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 176.7 | -70.4 | -8.7 | 0 | 0 | 0 | 112.1 | S387 Q388 L393 T394 E395 | S387-N391 PolarHBondContact O-N 2.93Å; S387-N391 VanDerWaalsContact O-N 3.13Å; Q388-N391 PolarHBondContact O-N 2.91Å; N391-L393 VanDerWaalsContact C-N 3.3Å; N391-L393 PolarHBondContact O-N 3.37Å; N391-T394 WeakPolarHBondContact CA-OG1 3.23Å; N391-T394 PolarHBondContact O-N 2.93Å; N391-T394 PolarHBondContact O-OG1 3.48Å; N391-E395 PolarHBondContact O-N 3.49Å |
| 392 | Q | 90 | Very high | 89 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 175.1 | -71.5 | -179.2 | -0.1 | 0 | 0 | 112.1 | Q388 M389 E395 K396 | Q388-Q392 WeakPolarHBondContact O-CG 3.31Å; Q388-Q392 PolarHBondContact O-N 3.35Å; M389-Q392 PolarHBondContact O-N 3.47Å; Q392-E395 PolarHBondContact O-N 3.02Å; Q392-K396 WeakPolarHBondContact O-CG 3.47Å; Q392-K396 PolarHBondContact O-N 3.15Å |
| 393 | L | 88.7 | Confident | 88.3 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -46.4 | 175.3 | -154.6 | 86.2 | 0 | 0 | 0 | 110.9 | M389 K390 N391 E395 K396 D397 | M389-L393 PolarHBondContact O-N 3.24Å; K390-L393 WeakPolarHBondContact O-CB 3.39Å; K390-L393 PolarHBondContact O-N 3.37Å; N391-L393 VanDerWaalsContact C-N 3.3Å; N391-L393 PolarHBondContact O-N 3.37Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-E395 PolarHBondContact O-N 3.05Å; L393-K396 PolarHBondContact O-N 3.15Å; L393-D397 PolarHBondContact O-N 3.19Å |
| 394 | T | 88.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | K390 N391 D397 T398 | K390-T394 PolarHBondContact O-N 2.91Å; K390-T394 VanDerWaalsContact O-N 3.1Å; K390-T394 PolarHBondContact O-OG1 2.83Å; N391-T394 WeakPolarHBondContact CA-OG1 3.23Å; N391-T394 PolarHBondContact O-N 2.93Å; N391-T394 PolarHBondContact O-OG1 3.48Å; T394-D397 PolarHBondContact O-N 3.37Å; T394-T398 WeakPolarHBondContact O-CG2 3.29Å; T394-T398 PolarHBondContact O-N 3.38Å; T394-T398 PolarHBondContact O-OG1 2.99Å |
| 395 | E | 91.2 | Very high | 86.6 | Confident | 127 Ų | 127 | 103.1 Ų | 103.1 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 175.4 | -170 | 176.6 | -170.4 | 0 | 0 | 110.6 | N391 Q392 L393 D397 T398 T399 | N391-E395 PolarHBondContact O-N 3.49Å; Q392-E395 PolarHBondContact O-N 3.02Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-E395 PolarHBondContact O-N 3.05Å; E395-D397 PolarHBondContact O-N 2.87Å; E395-T398 PolarHBondContact O-N 3.2Å; E395-T398 PolarHBondContact O-OG1 2.77Å; E395-T399 WeakPolarHBondContact O-CG2 3.35Å; E395-T399 PolarHBondContact O-N 3.36Å |
| 396 | K | 89.1 | Confident | 85.7 | Confident | 143 Ų | 143 | 105.7 Ų | 105.7 | 62% | 0.622 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 175.5 | -74.3 | -164.6 | 177.5 | -174.1 | 0 | 112.7 | Q392 L393 T398 T399 I400 | Q392-K396 WeakPolarHBondContact O-CG 3.47Å; Q392-K396 PolarHBondContact O-N 3.15Å; L393-K396 PolarHBondContact O-N 3.15Å; K396-T398 VanDerWaalsContact C-N 3.34Å; K396-T398 PolarHBondContact O-N 3.4Å; K396-T399 WeakPolarHBondContact CA-OG1 3.11Å; K396-T399 PolarHBondContact O-N 2.87Å; K396-T399 VanDerWaalsContact O-N 3.13Å; K396-T399 PolarHBondContact O-OG1 3.4Å; K396-I400 WeakPolarHBondContact O-CG1 3.42Å; K396-I400 PolarHBondContact O-N 3.48Å |
| 397 | D | 92 | Very high | 84.8 | Confident | 85 Ų | 85 | 107 Ų | 107 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.3 | -76.7 | -21.3 | 0 | 0 | 0 | 111.5 | L393 T394 E395 T399 I400 D401 | L393-D397 PolarHBondContact O-N 3.19Å; T394-D397 PolarHBondContact O-N 3.37Å; E395-D397 PolarHBondContact O-N 2.87Å; D397-T399 VanDerWaalsContact C-N 3.3Å; D397-T399 PolarHBondContact O-N 2.96Å; D397-I400 PolarHBondContact O-N 3.31Å; D397-I400 VanDerWaalsContact O-N 3.14Å; D397-D401 PolarHBondContact O-N 2.87Å |
| 398 | T | 86.9 | Confident | 83.7 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | T394 E395 K396 A402 | T394-T398 WeakPolarHBondContact O-CG2 3.29Å; T394-T398 PolarHBondContact O-N 3.38Å; T394-T398 PolarHBondContact O-OG1 2.99Å; E395-T398 PolarHBondContact O-N 3.2Å; E395-T398 PolarHBondContact O-OG1 2.77Å; K396-T398 VanDerWaalsContact C-N 3.34Å; K396-T398 PolarHBondContact O-N 3.4Å; T398-A402 WeakPolarHBondContact O-CB 3.13Å; T398-A402 PolarHBondContact O-N 3.32Å |
| 399 | T | 85.1 | Confident | 82.4 | Confident | 71 Ų | 71 | 111.4 Ų | 111.4 | 44% | 0.436 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.3 | -36.6 | 173.9 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | E395 K396 D397 A402 L403 | E395-T399 WeakPolarHBondContact O-CG2 3.35Å; E395-T399 PolarHBondContact O-N 3.36Å; K396-T399 WeakPolarHBondContact CA-OG1 3.11Å; K396-T399 PolarHBondContact O-N 2.87Å; K396-T399 VanDerWaalsContact O-N 3.13Å; K396-T399 PolarHBondContact O-OG1 3.4Å; D397-T399 VanDerWaalsContact C-N 3.3Å; D397-T399 PolarHBondContact O-N 2.96Å; T399-A402 PolarHBondContact O-N 3Å; T399-L403 WeakPolarHBondContact O-CB 3.28Å; T399-L403 VanDerWaalsContact O-CG 3.3Å; T399-L403 WeakPolarHBondContact O-CG 3.35Å; T399-L403 PolarHBondContact O-N 3.12Å |
| 400 | I | 84.5 | Confident | 81 | Confident | 78 Ų | 78 | 110.2 Ų | 110.2 | 40% | 0.4 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -46.9 | 174.8 | -69.1 | 167.9 | 0 | 0 | 0 | 109.3 | K396 D397 A402 L403 H404 | K396-I400 WeakPolarHBondContact O-CG1 3.42Å; K396-I400 PolarHBondContact O-N 3.48Å; D397-I400 PolarHBondContact O-N 3.31Å; D397-I400 VanDerWaalsContact O-N 3.14Å; I400-A402 VanDerWaalsContact C-N 3.32Å; I400-A402 PolarHBondContact O-N 2.97Å; I400-L403 PolarHBondContact O-N 3.39Å; I400-L403 VanDerWaalsContact O-N 3.12Å; I400-H404 WeakPolarHBondContact O-CB 3.45Å; I400-H404 PolarHBondContact O-CD2 2.94Å; I400-H404 VanDerWaalsContact O-CD2 3.26Å; I400-H404 PolarHBondContact O-N 3.46Å |
| 401 | D | 87.8 | Confident | 78.9 | Confident | 111 Ų | 111 | 108.2 Ų | 108.2 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.2 | -41.9 | 176.5 | -73.9 | -22 | 0 | 0 | 0 | 112.1 | D397 L403 H404 L405 | D397-D401 PolarHBondContact O-N 2.87Å; D401-L403 PolarHBondContact O-N 3.19Å; D401-H404 PolarHBondContact O-N 3.12Å; D401-L405 WeakPolarHBondContact O-CB 3.44Å; D401-L405 PolarHBondContact O-N 3.43Å |
| 402 | A | 82.3 | Confident | 77.2 | Confident | 56 Ų | 56 | 108.4 Ų | 108.4 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T398 T399 I400 K406 | T398-A402 WeakPolarHBondContact O-CB 3.13Å; T398-A402 PolarHBondContact O-N 3.32Å; T399-A402 PolarHBondContact O-N 3Å; I400-A402 VanDerWaalsContact C-N 3.32Å; I400-A402 PolarHBondContact O-N 2.97Å; A402-K406 PolarHBondContact O-N 2.85Å |
| 403 | L | 75.9 | Confident | 76.1 | Confident | 113 Ų | 113 | 110.8 Ų | 110.8 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69 | -42.7 | 174.9 | -74.4 | 172.6 | 0 | 0 | 0 | 111.7 | T399 I400 D401 L405 K406 Y407 | T399-L403 WeakPolarHBondContact O-CB 3.28Å; T399-L403 VanDerWaalsContact O-CG 3.3Å; T399-L403 WeakPolarHBondContact O-CG 3.35Å; T399-L403 PolarHBondContact O-N 3.12Å; I400-L403 PolarHBondContact O-N 3.39Å; I400-L403 VanDerWaalsContact O-N 3.12Å; D401-L403 PolarHBondContact O-N 3.19Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.37Å; L403-K406 PolarHBondContact O-N 3.18Å; L403-Y407 WeakPolarHBondContact O-CB 3.17Å; L403-Y407 PolarHBondContact O-N 3.26Å |
| 404 | H | 74.8 | Confident | 75.2 | Confident | 113 Ų | 113 | 114 Ų | 114 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.5 | -40.8 | 173.8 | -87.9 | -105.7 | 0 | 0 | 0 | 111.5 | I400 D401 Y407 N408 | I400-H404 WeakPolarHBondContact O-CB 3.45Å; I400-H404 PolarHBondContact O-CD2 2.94Å; I400-H404 VanDerWaalsContact O-CD2 3.26Å; I400-H404 PolarHBondContact O-N 3.46Å; D401-H404 PolarHBondContact O-N 3.12Å; H404-Y407 PolarHBondContact O-N 3.34Å; H404-N408 WeakPolarHBondContact O-CB 3.28Å; H404-N408 PolarHBondContact O-N 3.36Å; H404-N408 PolarHBondContact O-ND2 3.49Å |
| 405 | L | 73.4 | Confident | 74.3 | Confident | 110 Ų | 110 | 115.1 Ų | 115.1 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68 | -36.8 | 177 | -160.3 | 74.8 | 0 | 0 | 0 | 112.4 | D401 L403 K409 | D401-L405 WeakPolarHBondContact O-CB 3.44Å; D401-L405 PolarHBondContact O-N 3.43Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.37Å; L405-K409 WeakPolarHBondContact O-CG 3.38Å; L405-K409 PolarHBondContact O-N 3.24Å |
| 406 | K | 73.1 | Confident | 73.4 | Confident | 156 Ų | 156 | 116 Ų | 116 | 68% | 0.678 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.9 | -43.5 | 171.8 | -89.5 | -174.8 | 175.5 | -179.1 | 0 | 112.1 | A402 L403 K409 S410 | A402-K406 PolarHBondContact O-N 2.85Å; L403-K406 PolarHBondContact O-N 3.18Å; K406-K409 PolarHBondContact O-N 2.79Å; K406-S410 PolarHBondContact O-N 2.93Å |
| 407 | Y | 68.3 | Low | 72.9 | Confident | 142 Ų | 142 | 113.2 Ų | 113.2 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -45.5 | 178.6 | -177.5 | -97.8 | 0 | 0 | 0 | 111.4 | L403 H404 K409 S410 Q411 | L403-Y407 WeakPolarHBondContact O-CB 3.17Å; L403-Y407 PolarHBondContact O-N 3.26Å; H404-Y407 PolarHBondContact O-N 3.34Å; Y407-K409 VanDerWaalsContact C-N 3.27Å; Y407-K409 PolarHBondContact O-N 3.29Å; Y407-S410 PolarHBondContact O-N 2.89Å; Y407-Q411 HydrophobicContact CE1-CG 4.06Å; Y407-Q411 PolarHBondContact O-N 2.89Å; Y407-Q411 PolarHBondContact OH-NE2 3.23Å |
| 408 | N | 66.2 | Low | 72.4 | Confident | 112 Ų | 112 | 113 Ų | 113 | 60% | 0.599 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.4 | -27.4 | 176.3 | -75.1 | -28.5 | 0 | 0 | 0 | 113.4 | H404 | H404-N408 WeakPolarHBondContact O-CB 3.28Å; H404-N408 PolarHBondContact O-N 3.36Å; H404-N408 PolarHBondContact O-ND2 3.49Å |
| 409 | K | 63.2 | Low | 72 | Confident | 168 Ų | 168 | 112.8 Ų | 112.8 | 73% | 0.73 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79 | -23.8 | 171.7 | -76.3 | -177 | 178 | -177 | 0 | 113.5 | L405 K406 Y407 | L405-K409 WeakPolarHBondContact O-CG 3.38Å; L405-K409 PolarHBondContact O-N 3.24Å; K406-K409 PolarHBondContact O-N 2.79Å; Y407-K409 VanDerWaalsContact C-N 3.27Å; Y407-K409 PolarHBondContact O-N 3.29Å |
| 410 | S | 58.2 | Low | 71.9 | Confident | 94 Ų | 94 | 114.9 Ų | 114.9 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -92.2 | -14.4 | -179.1 | -169.5 | 0 | 0 | 0 | 0 | 113.9 | K406 Y407 D412 | K406-S410 PolarHBondContact O-N 2.93Å; Y407-S410 PolarHBondContact O-N 2.89Å; S410-D412 PolarHBondContact O-N 3.14Å |
| 411 | Q | 48.4 | Very low | 72.1 | Confident | 107 Ų | 107 | 115.7 Ų | 115.7 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | trans | -70.5 | 79.4 | 166 | -85.7 | -85.8 | -11.6 | 0 | 0 | 108.7 | Y407 K413 | Y407-Q411 HydrophobicContact CE1-CG 4.06Å; Y407-Q411 PolarHBondContact O-N 2.89Å; Y407-Q411 PolarHBondContact OH-NE2 3.23Å; Q411-K413 PolarHBondContact O-N 3Å | ||
| 412 | D | 53.1 | Low | 72.1 | Confident | 111 Ų | 111 | 115.6 Ų | 115.6 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | trans | -64.7 | 75.9 | 166.4 | -99.4 | -34 | 0 | 0 | 0 | 108.7 | S410 K414 Q415 Y416 | S410-D412 PolarHBondContact O-N 3.14Å; D412-K414 PolarHBondContact O-N 3.15Å; D412-Q415 HydrophobicContact CB-CB 4.03Å; D412-Q415 PolarHBondContact O-N 2.85Å; D412-Y416 PolarHBondContact O-N 2.97Å | ||
| 413 | K | 66.6 | Low | 72.4 | Confident | 155 Ų | 155 | 119.1 Ų | 119.1 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -51.4 | -22.5 | 174.3 | -163.5 | 172.5 | -175 | 175.5 | 0 | 112 | Q411 N417 | Q411-K413 PolarHBondContact O-N 3Å; K413-N417 VanDerWaalsContact O-CB 3.32Å; K413-N417 WeakPolarHBondContact O-CB 3.19Å; K413-N417 PolarHBondContact O-N 3.46Å; K413-N417 PolarHBondContact O-ND2 3.44Å; K413-N417 VanDerWaalsContact O-ND2 3.15Å |
| 414 | K | 70 | Confident | 73.2 | Confident | 177 Ų | 177 | 119 Ų | 119 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.2 | -43.1 | 172 | -72.9 | -174.6 | 175.9 | -177.9 | 0 | 113.2 | D412 N417 L418 | D412-K414 PolarHBondContact O-N 3.15Å; K414-N417 PolarHBondContact O-N 3.07Å; K414-L418 WeakPolarHBondContact O-CB 3.4Å; K414-L418 PolarHBondContact O-N 2.98Å |
| 415 | Q | 71.5 | Confident | 74 | Confident | 101 Ų | 101 | 119.6 Ų | 119.6 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.7 | -45 | -179.5 | -172 | 63.3 | 18.7 | 0 | 0 | 110.9 | D412 N417 L418 E419 | D412-Q415 HydrophobicContact CB-CB 4.03Å; D412-Q415 PolarHBondContact O-N 2.85Å; Q415-N417 VanDerWaalsContact C-N 3.34Å; Q415-N417 PolarHBondContact O-N 3.49Å; Q415-L418 WeakPolarHBondContact O-CB 3.32Å; Q415-L418 PolarHBondContact O-N 3.39Å; Q415-L418 VanDerWaalsContact O-N 3.14Å; Q415-E419 PolarHBondContact NE2-OE1 3.22Å; Q415-E419 PolarHBondContact O-N 3.47Å |
| 416 | Y | 72.2 | Confident | 74.8 | Confident | 146 Ų | 146 | 120.1 Ų | 120.1 | 57% | 0.573 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -42.4 | 174.9 | 177 | -99 | 0 | 0 | 0 | 112.5 | D412 L418 E419 K420 | D412-Y416 PolarHBondContact O-N 2.97Å; Y416-L418 VanDerWaalsContact C-N 3.31Å; Y416-L418 PolarHBondContact O-N 3.5Å; Y416-E419 PolarHBondContact O-N 2.83Å; Y416-K420 WeakPolarHBondContact O-CB 3.48Å; Y416-K420 PolarHBondContact O-N 2.92Å |
| 417 | N | 77.6 | Confident | 75.4 | Confident | 84 Ų | 84 | 117 Ų | 117 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 176.8 | -75.5 | -16.7 | 0 | 0 | 0 | 112.2 | K413 K414 Q415 E421 | K413-N417 VanDerWaalsContact O-CB 3.32Å; K413-N417 WeakPolarHBondContact O-CB 3.19Å; K413-N417 PolarHBondContact O-N 3.46Å; K413-N417 PolarHBondContact O-ND2 3.44Å; K413-N417 VanDerWaalsContact O-ND2 3.15Å; K414-N417 PolarHBondContact O-N 3.07Å; Q415-N417 VanDerWaalsContact C-N 3.34Å; Q415-N417 PolarHBondContact O-N 3.49Å; N417-E421 WeakPolarHBondContact O-CB 3.41Å; N417-E421 PolarHBondContact O-N 2.88Å |
| 418 | L | 81.3 | Confident | 76.6 | Confident | 81 Ų | 81 | 114.1 Ų | 114.1 | 42% | 0.424 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 177.2 | -172.5 | 66.9 | 0 | 0 | 0 | 111.6 | K414 Q415 Y416 E421 Q422 | K414-L418 WeakPolarHBondContact O-CB 3.4Å; K414-L418 PolarHBondContact O-N 2.98Å; Q415-L418 WeakPolarHBondContact O-CB 3.32Å; Q415-L418 PolarHBondContact O-N 3.39Å; Q415-L418 VanDerWaalsContact O-N 3.14Å; Y416-L418 VanDerWaalsContact C-N 3.31Å; Y416-L418 PolarHBondContact O-N 3.5Å; L418-E421 PolarHBondContact O-N 3.46Å; L418-Q422 WeakPolarHBondContact O-CG 3.37Å; L418-Q422 PolarHBondContact O-N 3.24Å |
| 419 | E | 78 | Confident | 77.8 | Confident | 83 Ų | 83 | 111.3 Ų | 111.3 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.8 | -76.2 | 171.7 | -164.5 | 0 | 0 | 111.3 | Q415 Y416 E421 Q422 F423 | Q415-E419 PolarHBondContact NE2-OE1 3.22Å; Q415-E419 PolarHBondContact O-N 3.47Å; Y416-E419 PolarHBondContact O-N 2.83Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.44Å; E419-Q422 WeakPolarHBondContact O-CB 3.26Å; E419-Q422 PolarHBondContact O-N 3.5Å; E419-Q422 VanDerWaalsContact O-N 3.16Å; E419-F423 HydrophobicContact CB-CE2 4.36Å; E419-F423 WeakPolarHBondContact O-CD2 3.45Å; E419-F423 PolarHBondContact O-N 2.99Å |
| 420 | K | 83.7 | Confident | 79 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 174.8 | -173.5 | -174.6 | 173.5 | -168.3 | 0 | 111.9 | Y416 Q422 F423 E424 | Y416-K420 WeakPolarHBondContact O-CB 3.48Å; Y416-K420 PolarHBondContact O-N 2.92Å; K420-Q422 VanDerWaalsContact C-N 3.31Å; K420-Q422 PolarHBondContact O-N 3.49Å; K420-F423 PolarHBondContact O-N 2.99Å; K420-E424 WeakPolarHBondContact O-CB 3.33Å; K420-E424 PolarHBondContact O-N 3.08Å |
| 421 | E | 89.2 | Confident | 80.7 | Confident | 95 Ų | 95 | 111.4 Ų | 111.4 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 178.4 | -163.6 | -170.9 | 149.7 | 0 | 0 | 112.1 | N417 L418 E419 K425 | N417-E421 WeakPolarHBondContact O-CB 3.41Å; N417-E421 PolarHBondContact O-N 2.88Å; L418-E421 PolarHBondContact O-N 3.46Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.44Å; E421-K425 WeakPolarHBondContact O-CG 3.42Å; E421-K425 PolarHBondContact O-N 2.9Å; E421-K425 VanDerWaalsContact O-N 3.14Å; E421-K425 WeakPolarHBondContact OE1-CE 3.48Å; E421-K425 IonicContact OE1-NZ 3.62Å; E421-K425 PolarHBondContact OE1-NZ 3.41Å |
| 422 | Q | 87 | Confident | 82.9 | Confident | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 173.4 | -73.4 | 175.1 | -8.3 | 0 | 0 | 111.6 | L418 E419 K420 E424 K425 E426 | L418-Q422 WeakPolarHBondContact O-CG 3.37Å; L418-Q422 PolarHBondContact O-N 3.24Å; E419-Q422 WeakPolarHBondContact O-CB 3.26Å; E419-Q422 PolarHBondContact O-N 3.5Å; E419-Q422 VanDerWaalsContact O-N 3.16Å; K420-Q422 VanDerWaalsContact C-N 3.31Å; K420-Q422 PolarHBondContact O-N 3.49Å; Q422-E424 VanDerWaalsContact C-N 3.3Å; Q422-E424 PolarHBondContact O-N 2.78Å; Q422-K425 PolarHBondContact O-N 3.14Å; Q422-E426 PolarHBondContact O-N 3.41Å |
| 423 | F | 88.8 | Confident | 84.8 | Confident | 130 Ų | 130 | 114.6 Ų | 114.6 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -38.2 | 176.2 | -72.7 | -58.2 | 0 | 0 | 0 | 112.4 | E419 K420 E426 L427 | E419-F423 HydrophobicContact CB-CE2 4.36Å; E419-F423 WeakPolarHBondContact O-CD2 3.45Å; E419-F423 PolarHBondContact O-N 2.99Å; K420-F423 PolarHBondContact O-N 2.99Å; F423-E426 PolarHBondContact O-N 3.38Å; F423-L427 WeakPolarHBondContact O-CB 3.26Å; F423-L427 PolarHBondContact O-N 2.88Å |
| 424 | E | 92.5 | Very high | 86 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 178 | -162.8 | 158.2 | -162.1 | 0 | 0 | 111.5 | K420 Q422 L427 D428 | K420-E424 WeakPolarHBondContact O-CB 3.33Å; K420-E424 PolarHBondContact O-N 3.08Å; Q422-E424 VanDerWaalsContact C-N 3.3Å; Q422-E424 PolarHBondContact O-N 2.78Å; E424-L427 PolarHBondContact O-N 2.95Å; E424-D428 PolarHBondContact O-N 3.23Å |
| 425 | K | 92.2 | Very high | 87.1 | Confident | 125 Ų | 125 | 112.4 Ų | 112.4 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 173 | -73.2 | 171.2 | -173.9 | 165.3 | 0 | 113 | E421 Q422 D428 S429 | E421-K425 WeakPolarHBondContact O-CG 3.42Å; E421-K425 PolarHBondContact O-N 2.9Å; E421-K425 VanDerWaalsContact O-N 3.14Å; E421-K425 WeakPolarHBondContact OE1-CE 3.48Å; E421-K425 IonicContact OE1-NZ 3.62Å; E421-K425 PolarHBondContact OE1-NZ 3.41Å; Q422-K425 PolarHBondContact O-N 3.14Å; K425-D428 PolarHBondContact O-N 3.26Å; K425-S429 WeakPolarHBondContact O-CB 3.33Å; K425-S429 PolarHBondContact O-N 3.16Å |
| 426 | E | 89.2 | Confident | 88.1 | Confident | 120 Ų | 120 | 111.7 Ų | 111.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 174.7 | -74.7 | -174.8 | 172.9 | 0 | 0 | 111.7 | Q422 F423 D428 S429 I430 | Q422-E426 PolarHBondContact O-N 3.41Å; F423-E426 PolarHBondContact O-N 3.38Å; E426-D428 PolarHBondContact O-N 2.9Å; E426-S429 WeakPolarHBondContact O-CB 3.3Å; E426-S429 PolarHBondContact O-N 3.45Å; E426-I430 WeakPolarHBondContact O-CG1 3.39Å; E426-I430 PolarHBondContact O-N 3.02Å |
| 427 | L | 86.5 | Confident | 88.8 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 175.6 | -115.1 | 154.4 | 0 | 0 | 0 | 112 | F423 E424 I430 R431 | F423-L427 WeakPolarHBondContact O-CB 3.26Å; F423-L427 PolarHBondContact O-N 2.88Å; E424-L427 PolarHBondContact O-N 2.95Å; L427-I430 PolarHBondContact O-N 2.83Å; L427-R431 WeakPolarHBondContact O-CB 3.37Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.48Å; L427-R431 PolarHBondContact O-N 2.88Å |
| 428 | D | 92.4 | Very high | 89.4 | Confident | 83 Ų | 83 | 108.3 Ų | 108.3 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 176.3 | -76.2 | -19.4 | 0 | 0 | 0 | 112.1 | E424 K425 E426 R431 Q432 | E424-D428 PolarHBondContact O-N 3.23Å; K425-D428 PolarHBondContact O-N 3.26Å; E426-D428 PolarHBondContact O-N 2.9Å; D428-R431 PolarHBondContact O-N 2.93Å; D428-R431 IonicContact OD1-NH1 3.17Å; D428-Q432 WeakPolarHBondContact O-CB 3.41Å; D428-Q432 PolarHBondContact O-N 2.89Å |
| 429 | S | 91.7 | Very high | 90 | Very high | 52 Ų | 52 | 110 Ų | 110 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 172.6 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | K425 E426 Q432 K433 | K425-S429 WeakPolarHBondContact O-CB 3.33Å; K425-S429 PolarHBondContact O-N 3.16Å; E426-S429 WeakPolarHBondContact O-CB 3.3Å; E426-S429 PolarHBondContact O-N 3.45Å; S429-Q432 PolarHBondContact O-N 3.49Å; S429-K433 WeakPolarHBondContact O-CG 3.36Å; S429-K433 PolarHBondContact O-N 3.3Å |
| 430 | I | 89.6 | Confident | 90.7 | Very high | 109 Ų | 109 | 111.5 Ų | 111.5 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 176.9 | -68.1 | 166.6 | 0 | 0 | 0 | 110.6 | E426 L427 Q432 K433 Y434 | E426-I430 WeakPolarHBondContact O-CG1 3.39Å; E426-I430 PolarHBondContact O-N 3.02Å; L427-I430 PolarHBondContact O-N 2.83Å; I430-Q432 VanDerWaalsContact C-N 3.31Å; I430-Q432 PolarHBondContact O-N 3.42Å; I430-K433 PolarHBondContact O-N 2.95Å; I430-Y434 WeakPolarHBondContact O-CB 3.44Å; I430-Y434 PolarHBondContact O-N 2.86Å |
| 431 | R | 93.9 | Very high | 91 | Very high | 155 Ų | 155 | 110.5 Ų | 110.5 | 59% | 0.585 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.1 | -40.7 | 175.7 | -75.2 | 169.8 | 174.8 | 177.6 | -1.9 | 111.9 | L427 D428 Y434 K435 | L427-R431 WeakPolarHBondContact O-CB 3.37Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.48Å; L427-R431 PolarHBondContact O-N 2.88Å; D428-R431 PolarHBondContact O-N 2.93Å; D428-R431 IonicContact OD1-NH1 3.17Å; R431-Y434 PolarHBondContact O-N 3.38Å; R431-K435 WeakPolarHBondContact O-CB 3.46Å; R431-K435 PolarHBondContact O-N 3.42Å |
| 432 | Q | 94.1 | Very high | 91.1 | Very high | 142 Ų | 142 | 112.1 Ų | 112.1 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 177.1 | -167.3 | 173.4 | 13.9 | 0 | 0 | 111.5 | D428 S429 I430 K435 T436 | D428-Q432 WeakPolarHBondContact O-CB 3.41Å; D428-Q432 PolarHBondContact O-N 2.89Å; S429-Q432 PolarHBondContact O-N 3.49Å; I430-Q432 VanDerWaalsContact C-N 3.31Å; I430-Q432 PolarHBondContact O-N 3.42Å; Q432-K435 PolarHBondContact O-N 2.83Å; Q432-T436 PolarHBondContact O-N 2.89Å; Q432-T436 PolarHBondContact O-OG1 3.49Å |
| 433 | K | 93.1 | Very high | 91.4 | Very high | 143 Ų | 143 | 109.6 Ų | 109.6 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 174.4 | -74.7 | 178.2 | -177.6 | 180 | 0 | 112.3 | S429 I430 T436 S437 | S429-K433 WeakPolarHBondContact O-CG 3.36Å; S429-K433 PolarHBondContact O-N 3.3Å; I430-K433 PolarHBondContact O-N 2.95Å; K433-T436 VanDerWaalsContact C-OG1 3.3Å; K433-T436 VanDerWaalsContact CA-OG1 3.27Å; K433-T436 WeakPolarHBondContact CA-OG1 3.25Å; K433-T436 PolarHBondContact O-N 3.31Å; K433-T436 PolarHBondContact O-OG1 2.85Å; K433-S437 PolarHBondContact O-N 3.15Å |
| 434 | Y | 90.6 | Very high | 91.4 | Very high | 147 Ų | 147 | 107 Ų | 107 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 176.2 | -178.1 | -95.7 | 0 | 0 | 0 | 111 | I430 R431 T436 S437 E438 | I430-Y434 WeakPolarHBondContact O-CB 3.44Å; I430-Y434 PolarHBondContact O-N 2.86Å; R431-Y434 PolarHBondContact O-N 3.38Å; Y434-T436 PolarHBondContact O-N 3.5Å; Y434-S437 WeakPolarHBondContact O-CB 3.36Å; Y434-S437 PolarHBondContact O-N 3.01Å; Y434-E438 HydrophobicContact CD1-CG 4.26Å; Y434-E438 HydrophobicContact CE1-CG 3.73Å; Y434-E438 WeakPolarHBondContact CE1-OE1 3.48Å; Y434-E438 PolarHBondContact O-N 3.26Å; Y434-E438 PolarHBondContact OH-OE1 3.38Å |
| 435 | K | 95.2 | Very high | 91.4 | Very high | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.2 | -39.8 | 176.5 | -171.9 | 165.5 | -174.8 | 171.3 | 0 | 113.1 | R431 Q432 S437 L439 | R431-K435 WeakPolarHBondContact O-CB 3.46Å; R431-K435 PolarHBondContact O-N 3.42Å; Q432-K435 PolarHBondContact O-N 2.83Å; K435-S437 VanDerWaalsContact C-N 3.34Å; K435-L439 WeakPolarHBondContact O-CG 3.3Å; K435-L439 PolarHBondContact O-N 3.15Å; K435-L439 VanDerWaalsContact O-N 3.15Å |
| 436 | T | 91.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 104.6 Ų | 104.6 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 172.9 | 38.6 | 0 | 0 | 0 | 0 | 112.6 | Q432 K433 Y434 H440 | Q432-T436 PolarHBondContact O-N 2.89Å; Q432-T436 PolarHBondContact O-OG1 3.49Å; K433-T436 VanDerWaalsContact C-OG1 3.3Å; K433-T436 VanDerWaalsContact CA-OG1 3.27Å; K433-T436 WeakPolarHBondContact CA-OG1 3.25Å; K433-T436 PolarHBondContact O-N 3.31Å; K433-T436 PolarHBondContact O-OG1 2.85Å; Y434-T436 PolarHBondContact O-N 3.5Å; T436-H440 WeakPolarHBondContact O-CB 3.47Å; T436-H440 PolarHBondContact O-N 3.1Å |
| 437 | S | 87.1 | Confident | 91.6 | Very high | 59 Ų | 59 | 104 Ų | 104 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -38.4 | 176.9 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | K433 Y434 K435 H440 N441 | K433-S437 PolarHBondContact O-N 3.15Å; Y434-S437 WeakPolarHBondContact O-CB 3.36Å; Y434-S437 PolarHBondContact O-N 3.01Å; K435-S437 VanDerWaalsContact C-N 3.34Å; S437-H440 PolarHBondContact O-N 3.08Å; S437-N441 PolarHBondContact O-N 3.1Å; S437-N441 PolarHBondContact O-ND2 2.94Å |
| 438 | E | 89.9 | Confident | 91.7 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 172.3 | -80.7 | -173.2 | 147.7 | 0 | 0 | 111.8 | Y434 H440 N441 H442 | Y434-E438 HydrophobicContact CD1-CG 4.26Å; Y434-E438 HydrophobicContact CE1-CG 3.73Å; Y434-E438 WeakPolarHBondContact CE1-OE1 3.48Å; Y434-E438 PolarHBondContact O-N 3.26Å; Y434-E438 PolarHBondContact OH-OE1 3.38Å; E438-H440 VanDerWaalsContact C-N 3.31Å; E438-H440 PolarHBondContact O-N 2.95Å; E438-N441 PolarHBondContact O-N 3.4Å; E438-H442 PolarHBondContact O-N 2.94Å |
| 439 | L | 93.7 | Very high | 91.8 | Very high | 118 Ų | 118 | 102.8 Ų | 102.8 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 176 | -72.3 | 171.7 | 0 | 0 | 0 | 112.2 | K435 H442 S443 | K435-L439 WeakPolarHBondContact O-CG 3.3Å; K435-L439 PolarHBondContact O-N 3.15Å; K435-L439 VanDerWaalsContact O-N 3.15Å; L439-H442 PolarHBondContact O-N 3.15Å; L439-S443 PolarHBondContact O-N 3.33Å |
| 440 | H | 93.5 | Very high | 91.9 | Very high | 113 Ų | 113 | 106.3 Ų | 106.3 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 176.1 | -176.3 | 54.4 | 0 | 0 | 0 | 112.2 | T436 S437 E438 H442 S443 L444 | T436-H440 WeakPolarHBondContact O-CB 3.47Å; T436-H440 PolarHBondContact O-N 3.1Å; S437-H440 PolarHBondContact O-N 3.08Å; E438-H440 VanDerWaalsContact C-N 3.31Å; E438-H440 PolarHBondContact O-N 2.95Å; H440-H442 VanDerWaalsContact C-N 3.32Å; H440-H442 PolarHBondContact O-N 3.26Å; H440-S443 WeakPolarHBondContact O-CB 3.37Å; H440-S443 PolarHBondContact O-N 3.28Å; H440-L444 WeakPolarHBondContact O-CG 3.41Å; H440-L444 PolarHBondContact O-N 2.98Å |
| 441 | N | 89 | Confident | 92 | Very high | 94 Ų | 94 | 105.6 Ų | 105.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 174.9 | -78.9 | -67.3 | 0 | 0 | 0 | 112 | S437 E438 L444 Q445 | S437-N441 PolarHBondContact O-N 3.1Å; S437-N441 PolarHBondContact O-ND2 2.94Å; E438-N441 PolarHBondContact O-N 3.4Å; N441-L444 PolarHBondContact O-N 3.15Å; N441-Q445 WeakPolarHBondContact O-CB 3.45Å; N441-Q445 PolarHBondContact O-N 3.33Å |
| 442 | H | 92.7 | Very high | 92 | Very high | 130 Ų | 130 | 103.3 Ų | 103.3 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 175.1 | -137.8 | 63.7 | 0 | 0 | 0 | 111.5 | E438 L439 H440 L444 Q445 D446 | E438-H442 PolarHBondContact O-N 2.94Å; L439-H442 PolarHBondContact O-N 3.15Å; H440-H442 VanDerWaalsContact C-N 3.32Å; H440-H442 PolarHBondContact O-N 3.26Å; H442-L444 PolarHBondContact O-N 2.96Å; H442-Q445 WeakPolarHBondContact O-CB 3.39Å; H442-Q445 PolarHBondContact O-N 3.17Å; H442-D446 PolarHBondContact O-N 3.27Å |
| 443 | S | 92.5 | Very high | 92 | Very high | 56 Ų | 56 | 101 Ų | 101 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 174.9 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | L439 H440 Q445 D446 E447 | L439-S443 PolarHBondContact O-N 3.33Å; H440-S443 WeakPolarHBondContact O-CB 3.37Å; H440-S443 PolarHBondContact O-N 3.28Å; S443-Q445 VanDerWaalsContact C-N 3.33Å; S443-D446 PolarHBondContact O-N 3.19Å; S443-E447 WeakPolarHBondContact O-CG 3.37Å; S443-E447 PolarHBondContact O-N 3.47Å |
| 444 | L | 89.1 | Confident | 92 | Very high | 76 Ų | 76 | 97.3 Ų | 97.3 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.7 | -34.9 | 176.2 | -73.9 | 173.5 | 0 | 0 | 0 | 112.2 | H440 N441 H442 E447 L448 | H440-L444 WeakPolarHBondContact O-CG 3.41Å; H440-L444 PolarHBondContact O-N 2.98Å; N441-L444 PolarHBondContact O-N 3.15Å; H442-L444 PolarHBondContact O-N 2.96Å; L444-E447 PolarHBondContact O-N 3.46Å; L444-L448 WeakPolarHBondContact O-CB 3.37Å; L444-L448 PolarHBondContact O-N 2.97Å |
| 445 | Q | 91.1 | Very high | 91.8 | Very high | 86 Ų | 86 | 94.7 Ų | 94.7 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.5 | -175.4 | 59.4 | 39.5 | 0 | 0 | 111.4 | N441 H442 S443 E447 L448 D449 | N441-Q445 WeakPolarHBondContact O-CB 3.45Å; N441-Q445 PolarHBondContact O-N 3.33Å; H442-Q445 WeakPolarHBondContact O-CB 3.39Å; H442-Q445 PolarHBondContact O-N 3.17Å; S443-Q445 VanDerWaalsContact C-N 3.33Å; Q445-E447 PolarHBondContact O-N 2.72Å; Q445-L448 WeakPolarHBondContact O-CB 3.28Å; Q445-L448 PolarHBondContact O-N 2.58Å; Q445-D449 PolarHBondContact NE2-OD1 3.47Å; Q445-D449 PolarHBondContact NE2-OD2 3.33Å; Q445-D449 PolarHBondContact O-N 3.42Å |
| 446 | D | 94.1 | Very high | 91.7 | Very high | 99 Ų | 99 | 93.9 Ų | 93.9 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.5 | -70 | -21.3 | 0 | 0 | 0 | 111.7 | H442 S443 D449 K450 | H442-D446 PolarHBondContact O-N 3.27Å; S443-D446 PolarHBondContact O-N 3.19Å; D446-D449 PolarHBondContact O-N 2.88Å; D446-K450 WeakPolarHBondContact O-CB 3.4Å; D446-K450 PolarHBondContact O-N 2.88Å |
| 447 | E | 91.6 | Very high | 91.7 | Very high | 107 Ų | 107 | 94.9 Ų | 94.9 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 174.1 | -76.4 | -179.9 | -163.9 | 0 | 0 | 112.1 | S443 L444 Q445 K450 I451 | S443-E447 WeakPolarHBondContact O-CG 3.37Å; S443-E447 PolarHBondContact O-N 3.47Å; L444-E447 PolarHBondContact O-N 3.46Å; Q445-E447 PolarHBondContact O-N 2.72Å; E447-K450 PolarHBondContact O-N 3.45Å; E447-I451 VanDerWaalsContact O-CG1 3.29Å; E447-I451 WeakPolarHBondContact O-CG1 3.42Å; E447-I451 PolarHBondContact O-N 3.39Å |
| 448 | L | 89.5 | Confident | 91.9 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 41% | 0.414 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.2 | 178.8 | 62.9 | 0 | 0 | 0 | 111.3 | L444 Q445 I451 K452 | L444-L448 WeakPolarHBondContact O-CB 3.37Å; L444-L448 PolarHBondContact O-N 2.97Å; Q445-L448 WeakPolarHBondContact O-CB 3.28Å; Q445-L448 PolarHBondContact O-N 2.58Å; L448-I451 PolarHBondContact O-N 2.88Å; L448-K452 WeakPolarHBondContact O-CG 3.2Å; L448-K452 PolarHBondContact O-N 3.31Å |
| 449 | D | 94 | Very high | 91.9 | Very high | 69 Ų | 69 | 98 Ų | 98 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.6 | -32.9 | 179.6 | -68.1 | -26.7 | 0 | 0 | 0 | 111.8 | Q445 D446 K452 L453 | Q445-D449 PolarHBondContact NE2-OD1 3.47Å; Q445-D449 PolarHBondContact NE2-OD2 3.33Å; Q445-D449 PolarHBondContact O-N 3.42Å; D446-D449 PolarHBondContact O-N 2.88Å; D449-K452 PolarHBondContact O-N 3.49Å; D449-K452 IonicContact OD1-NZ 3.81Å; D449-K452 PolarHBondContact OD1-NZ 2.72Å; D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3Å |
| 450 | K | 94.5 | Very high | 91.9 | Very high | 126 Ų | 126 | 98.2 Ų | 98.2 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 168.3 | -174.8 | -178.1 | 178.5 | -60.9 | 0 | 111.9 | D446 E447 K452 L453 D454 | D446-K450 WeakPolarHBondContact O-CB 3.4Å; D446-K450 PolarHBondContact O-N 2.88Å; E447-K450 PolarHBondContact O-N 3.45Å; K450-K452 VanDerWaalsContact C-N 3.34Å; K450-K452 PolarHBondContact O-N 2.85Å; K450-L453 PolarHBondContact O-N 3.04Å; K450-D454 IonicContact NZ-OD2 3.87Å; K450-D454 PolarHBondContact NZ-OD2 3.47Å; K450-D454 PolarHBondContact O-N 3.22Å |
| 451 | I | 92.2 | Very high | 91.7 | Very high | 93 Ų | 93 | 96.8 Ų | 96.8 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 177.9 | -70.2 | 166.8 | 0 | 0 | 0 | 110.9 | E447 L448 L453 D454 N455 | E447-I451 VanDerWaalsContact O-CG1 3.29Å; E447-I451 WeakPolarHBondContact O-CG1 3.42Å; E447-I451 PolarHBondContact O-N 3.39Å; L448-I451 PolarHBondContact O-N 2.88Å; I451-L453 VanDerWaalsContact C-N 3.35Å; I451-L453 PolarHBondContact O-N 3.24Å; I451-D454 PolarHBondContact O-N 2.93Å; I451-N455 WeakPolarHBondContact O-CB 3.46Å; I451-N455 PolarHBondContact O-N 2.92Å; I451-N455 PolarHBondContact O-ND2 3.43Å |
| 452 | K | 93.6 | Very high | 91.6 | Very high | 108 Ų | 108 | 96.5 Ų | 96.5 | 47% | 0.47 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.2 | -73.8 | 174 | -167.2 | 153.8 | 0 | 111.8 | L448 D449 K450 N455 H456 | L448-K452 WeakPolarHBondContact O-CG 3.2Å; L448-K452 PolarHBondContact O-N 3.31Å; D449-K452 PolarHBondContact O-N 3.49Å; D449-K452 IonicContact OD1-NZ 3.81Å; D449-K452 PolarHBondContact OD1-NZ 2.72Å; K450-K452 VanDerWaalsContact C-N 3.34Å; K450-K452 PolarHBondContact O-N 2.85Å; K452-N455 PolarHBondContact O-N 2.93Å; K452-H456 PolarHBondContact O-N 2.96Å |
| 453 | L | 93.6 | Very high | 91.5 | Very high | 94 Ų | 94 | 96.9 Ų | 96.9 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.3 | -175.2 | 66.2 | 0 | 0 | 0 | 111.6 | D449 K450 I451 H456 K457 | D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3Å; K450-L453 PolarHBondContact O-N 3.04Å; I451-L453 VanDerWaalsContact C-N 3.35Å; I451-L453 PolarHBondContact O-N 3.24Å; L453-H456 PolarHBondContact O-N 2.99Å; L453-K457 WeakPolarHBondContact O-CG 3.4Å; L453-K457 PolarHBondContact O-N 3.14Å |
| 454 | D | 92.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 96.9 Ų | 96.9 | 35% | 0.348 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 177.8 | -70.3 | -20.8 | 0 | 0 | 0 | 111.3 | K450 I451 K457 L458 | K450-D454 IonicContact NZ-OD2 3.87Å; K450-D454 PolarHBondContact NZ-OD2 3.47Å; K450-D454 PolarHBondContact O-N 3.22Å; I451-D454 PolarHBondContact O-N 2.93Å; D454-K457 PolarHBondContact O-N 3.47Å; D454-L458 WeakPolarHBondContact O-CB 3.47Å; D454-L458 PolarHBondContact O-N 3.18Å |
| 455 | N | 87.8 | Confident | 91.5 | Very high | 91 Ų | 91 | 100 Ų | 100 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 172.6 | -80.4 | -26 | 0 | 0 | 0 | 112.6 | I451 K452 L458 L459 | I451-N455 WeakPolarHBondContact O-CB 3.46Å; I451-N455 PolarHBondContact O-N 2.92Å; I451-N455 PolarHBondContact O-ND2 3.43Å; K452-N455 PolarHBondContact O-N 2.93Å; N455-L458 PolarHBondContact O-N 3.48Å; N455-L459 WeakPolarHBondContact O-CG 3.38Å; N455-L459 PolarHBondContact O-N 2.93Å |
| 456 | H | 91.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 176.9 | -172.1 | 63.7 | 0 | 0 | 0 | 111.6 | K452 L453 L458 L459 Q460 | K452-H456 PolarHBondContact O-N 2.96Å; L453-H456 PolarHBondContact O-N 2.99Å; H456-L458 VanDerWaalsContact C-N 3.35Å; H456-L458 PolarHBondContact O-N 3.08Å; H456-L459 PolarHBondContact O-N 3.38Å; H456-Q460 PolarHBondContact O-N 2.75Å |
| 457 | K | 92.8 | Very high | 91.3 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 172.6 | -70.5 | 173.7 | -177.1 | 170 | 0 | 111.8 | L453 D454 L459 Q460 D461 | L453-K457 WeakPolarHBondContact O-CG 3.4Å; L453-K457 PolarHBondContact O-N 3.14Å; D454-K457 PolarHBondContact O-N 3.47Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 2.86Å; K457-Q460 PolarHBondContact O-N 3.23Å; K457-D461 PolarHBondContact O-N 3.35Å |
| 458 | L | 89.8 | Confident | 91.2 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 178.9 | -161.5 | 75 | 0 | 0 | 0 | 112 | D454 N455 H456 D461 V462 | D454-L458 WeakPolarHBondContact O-CB 3.47Å; D454-L458 PolarHBondContact O-N 3.18Å; N455-L458 PolarHBondContact O-N 3.48Å; H456-L458 VanDerWaalsContact C-N 3.35Å; H456-L458 PolarHBondContact O-N 3.08Å; L458-D461 PolarHBondContact O-N 2.7Å; L458-V462 VanDerWaalsContact O-CG2 3.28Å; L458-V462 WeakPolarHBondContact O-CG2 3.46Å; L458-V462 PolarHBondContact O-N 3.34Å |
| 459 | L | 91.6 | Very high | 91.2 | Very high | 118 Ų | 118 | 96.9 Ų | 96.9 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 174.3 | -74.9 | 169 | 0 | 0 | 0 | 111.8 | N455 H456 K457 D461 V462 E463 | N455-L459 WeakPolarHBondContact O-CG 3.38Å; N455-L459 PolarHBondContact O-N 2.93Å; H456-L459 PolarHBondContact O-N 3.38Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 2.86Å; L459-D461 VanDerWaalsContact C-N 3.34Å; L459-D461 PolarHBondContact O-N 3.46Å; L459-V462 PolarHBondContact O-N 3.12Å; L459-E463 PolarHBondContact O-N 2.81Å |
| 460 | Q | 92.2 | Very high | 91 | Very high | 122 Ų | 122 | 96.8 Ų | 96.8 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 175.3 | -170.4 | 177.8 | 23.2 | 0 | 0 | 112.1 | H456 K457 V462 E463 S464 | H456-Q460 PolarHBondContact O-N 2.75Å; K457-Q460 PolarHBondContact O-N 3.23Å; Q460-V462 VanDerWaalsContact C-N 3.34Å; Q460-E463 PolarHBondContact O-N 2.77Å; Q460-S464 WeakPolarHBondContact O-CB 3.34Å; Q460-S464 PolarHBondContact O-N 3.36Å; Q460-S464 PolarHBondContact O-OG 3.48Å |
| 461 | D | 89.7 | Confident | 90.9 | Very high | 82 Ų | 82 | 97.3 Ų | 97.3 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 174.3 | -78.3 | -7.1 | 0 | 0 | 0 | 112.2 | K457 L458 L459 S464 K465 | K457-D461 PolarHBondContact O-N 3.35Å; L458-D461 PolarHBondContact O-N 2.7Å; L459-D461 VanDerWaalsContact C-N 3.34Å; L459-D461 PolarHBondContact O-N 3.46Å; D461-S464 WeakPolarHBondContact CA-OG 3.47Å; D461-S464 PolarHBondContact O-OG 3.22Å; D461-K465 WeakPolarHBondContact O-CB 3.25Å; D461-K465 VanDerWaalsContact O-CG 3.22Å; D461-K465 WeakPolarHBondContact O-CG 3.39Å; D461-K465 PolarHBondContact O-N 3.41Å |
| 462 | V | 88.3 | Confident | 90.8 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L458 L459 Q460 K465 S466 | L458-V462 VanDerWaalsContact O-CG2 3.28Å; L458-V462 WeakPolarHBondContact O-CG2 3.46Å; L458-V462 PolarHBondContact O-N 3.34Å; L459-V462 PolarHBondContact O-N 3.12Å; Q460-V462 VanDerWaalsContact C-N 3.34Å; V462-K465 PolarHBondContact O-N 3Å; V462-S466 WeakPolarHBondContact O-CB 3.45Å; V462-S466 PolarHBondContact O-N 3.19Å |
| 463 | E | 89.5 | Confident | 90.7 | Very high | 138 Ų | 138 | 99.3 Ų | 99.3 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 178.7 | -169.9 | 170.8 | -160 | 0 | 0 | 112.2 | L459 Q460 S466 S467 | L459-E463 PolarHBondContact O-N 2.81Å; Q460-E463 PolarHBondContact O-N 2.77Å; E463-S466 PolarHBondContact O-N 3.29Å; E463-S467 PolarHBondContact O-N 2.85Å; E463-S467 PolarHBondContact O-OG 3.32Å |
| 464 | S | 91.1 | Very high | 90.6 | Very high | 55 Ų | 55 | 99.7 Ų | 99.7 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 174.3 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | Q460 D461 S467 I468 | Q460-S464 WeakPolarHBondContact O-CB 3.34Å; Q460-S464 PolarHBondContact O-N 3.36Å; Q460-S464 PolarHBondContact O-OG 3.48Å; D461-S464 WeakPolarHBondContact CA-OG 3.47Å; D461-S464 PolarHBondContact O-OG 3.22Å; S464-S467 WeakPolarHBondContact O-CB 3.45Å; S464-S467 PolarHBondContact O-N 2.87Å; S464-I468 WeakPolarHBondContact O-CG1 3.27Å; S464-I468 PolarHBondContact O-N 3.47Å |
| 465 | K | 90.7 | Very high | 90.6 | Very high | 141 Ų | 141 | 101.8 Ų | 101.8 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 173.8 | -77 | 172.7 | -176.7 | 170.5 | 0 | 112.4 | D461 V462 S467 I468 E469 | D461-K465 WeakPolarHBondContact O-CB 3.25Å; D461-K465 VanDerWaalsContact O-CG 3.22Å; D461-K465 WeakPolarHBondContact O-CG 3.39Å; D461-K465 PolarHBondContact O-N 3.41Å; V462-K465 PolarHBondContact O-N 3Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 3.46Å; K465-I468 PolarHBondContact O-N 3.29Å; K465-E469 PolarHBondContact O-N 2.79Å |
| 466 | S | 90.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 102.3 Ų | 102.3 | 43% | 0.427 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 175 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | V462 E463 I468 E469 T470 | V462-S466 WeakPolarHBondContact O-CB 3.45Å; V462-S466 PolarHBondContact O-N 3.19Å; E463-S466 PolarHBondContact O-N 3.29Å; S466-I468 VanDerWaalsContact C-N 3.29Å; S466-I468 PolarHBondContact O-N 3.48Å; S466-E469 PolarHBondContact O-N 2.93Å; S466-T470 WeakPolarHBondContact O-CG2 3.46Å; S466-T470 PolarHBondContact O-N 2.94Å; S466-T470 PolarHBondContact O-OG1 2.9Å |
| 467 | S | 89.7 | Confident | 90.7 | Very high | 58 Ų | 58 | 101.9 Ų | 101.9 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -30.7 | 174.6 | -61.2 | 0 | 0 | 0 | 0 | 113 | E463 S464 K465 T470 K471 | E463-S467 PolarHBondContact O-N 2.85Å; E463-S467 PolarHBondContact O-OG 3.32Å; S464-S467 WeakPolarHBondContact O-CB 3.45Å; S464-S467 PolarHBondContact O-N 2.87Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 3.46Å; S467-T470 WeakPolarHBondContact CA-OG1 3.43Å; S467-T470 PolarHBondContact O-OG1 2.92Å; S467-K471 WeakPolarHBondContact O-CG 3.45Å; S467-K471 PolarHBondContact O-N 3.31Å |
| 468 | I | 90.9 | Very high | 90.6 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -77.6 | -42.6 | 173.8 | -65.8 | 162.8 | 0 | 0 | 0 | 110.5 | S464 K465 S466 T470 K471 L472 | S464-I468 WeakPolarHBondContact O-CG1 3.27Å; S464-I468 PolarHBondContact O-N 3.47Å; K465-I468 PolarHBondContact O-N 3.29Å; S466-I468 VanDerWaalsContact C-N 3.29Å; S466-I468 PolarHBondContact O-N 3.48Å; I468-T470 VanDerWaalsContact C-N 3.3Å; I468-T470 PolarHBondContact O-N 3.22Å; I468-K471 PolarHBondContact O-N 3Å; I468-L472 HydrophobicContact CG2-CD1 4.07Å; I468-L472 HydrophobicContact CG2-CG 4.42Å; I468-L472 WeakPolarHBondContact O-CG 3.34Å; I468-L472 PolarHBondContact O-N 3.22Å |
| 469 | E | 89.6 | Confident | 90.7 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.2 | -170.2 | -169.1 | 156.1 | 0 | 0 | 111.5 | K465 S466 L472 R473 | K465-E469 PolarHBondContact O-N 2.79Å; S466-E469 PolarHBondContact O-N 2.93Å; E469-L472 PolarHBondContact O-N 3.06Å; E469-R473 WeakPolarHBondContact O-CB 3.5Å; E469-R473 WeakPolarHBondContact O-CG 3.32Å; E469-R473 PolarHBondContact O-N 2.94Å; E469-R473 IonicContact OE1-CZ 3.96Å; E469-R473 VanDerWaalsContact OE1-CZ 3.27Å; E469-R473 IonicContact OE1-NE 3.61Å; E469-R473 PolarHBondContact OE1-NE 2.97Å; E469-R473 IonicContact OE1-NH2 3.05Å; E469-R473 PolarHBondContact OE1-NH2 3.36Å |
| 470 | T | 88.5 | Confident | 90.7 | Very high | 67 Ų | 67 | 100.6 Ų | 100.6 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.2 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | S466 S467 I468 R473 N474 | S466-T470 WeakPolarHBondContact O-CG2 3.46Å; S466-T470 PolarHBondContact O-N 2.94Å; S466-T470 PolarHBondContact O-OG1 2.9Å; S467-T470 WeakPolarHBondContact CA-OG1 3.43Å; S467-T470 PolarHBondContact O-OG1 2.92Å; I468-T470 VanDerWaalsContact C-N 3.3Å; I468-T470 PolarHBondContact O-N 3.22Å; T470-R473 PolarHBondContact O-N 3.48Å; T470-N474 PolarHBondContact O-N 2.86Å; T470-N474 PolarHBondContact O-ND2 3.5Å; T470-N474 PolarHBondContact O-OD1 2.91Å |
| 471 | K | 93.1 | Very high | 90.6 | Very high | 136 Ų | 136 | 100.4 Ų | 100.4 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 172.9 | -70.8 | 172.5 | -175 | 179.2 | 0 | 112 | S467 I468 R473 N474 E475 | S467-K471 WeakPolarHBondContact O-CG 3.45Å; S467-K471 PolarHBondContact O-N 3.31Å; I468-K471 PolarHBondContact O-N 3Å; K471-R473 VanDerWaalsContact C-N 3.32Å; K471-R473 PolarHBondContact O-N 3.47Å; K471-N474 PolarHBondContact O-N 2.83Å; K471-E475 WeakPolarHBondContact O-CG 3.44Å; K471-E475 PolarHBondContact O-N 2.92Å |
| 472 | L | 91.2 | Very high | 90.7 | Very high | 100 Ų | 100 | 101.9 Ų | 101.9 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.2 | -70.7 | 173.1 | 0 | 0 | 0 | 112.3 | I468 E469 E475 L476 | I468-L472 HydrophobicContact CG2-CD1 4.07Å; I468-L472 HydrophobicContact CG2-CG 4.42Å; I468-L472 WeakPolarHBondContact O-CG 3.34Å; I468-L472 PolarHBondContact O-N 3.22Å; E469-L472 PolarHBondContact O-N 3.06Å; L472-E475 PolarHBondContact O-N 3.19Å; L472-L476 WeakPolarHBondContact O-CB 3.35Å; L472-L476 PolarHBondContact O-N 2.96Å |
| 473 | R | 90.9 | Very high | 90.9 | Very high | 144 Ų | 144 | 101.8 Ų | 101.8 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 172.9 | -77.9 | 174.4 | 179.3 | -122.3 | 5.9 | 111.6 | E469 T470 K471 L476 E477 | E469-R473 WeakPolarHBondContact O-CB 3.5Å; E469-R473 WeakPolarHBondContact O-CG 3.32Å; E469-R473 PolarHBondContact O-N 2.94Å; E469-R473 IonicContact OE1-CZ 3.96Å; E469-R473 VanDerWaalsContact OE1-CZ 3.27Å; E469-R473 IonicContact OE1-NE 3.61Å; E469-R473 PolarHBondContact OE1-NE 2.97Å; E469-R473 IonicContact OE1-NH2 3.05Å; E469-R473 PolarHBondContact OE1-NH2 3.36Å; T470-R473 PolarHBondContact O-N 3.48Å; K471-R473 VanDerWaalsContact C-N 3.32Å; K471-R473 PolarHBondContact O-N 3.47Å; R473-L476 WeakPolarHBondContact O-CB 3.43Å; R473-L476 PolarHBondContact O-N 3.05Å; R473-E477 WeakPolarHBondContact O-CG 3.36Å; R473-E477 PolarHBondContact O-N 3.21Å |
| 474 | N | 90.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 99.7 Ų | 99.7 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.2 | -65.5 | -13.2 | 0 | 0 | 0 | 111.8 | T470 K471 E477 E478 | T470-N474 PolarHBondContact O-N 2.86Å; T470-N474 PolarHBondContact O-ND2 3.5Å; T470-N474 PolarHBondContact O-OD1 2.91Å; K471-N474 PolarHBondContact O-N 2.83Å; N474-E477 PolarHBondContact O-N 3.28Å; N474-E478 PolarHBondContact O-N 3.42Å |
| 475 | E | 92.2 | Very high | 90.8 | Very high | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.7 | -72.7 | 176.2 | -168.2 | 0 | 0 | 111.9 | K471 L472 E478 I479 | K471-E475 WeakPolarHBondContact O-CG 3.44Å; K471-E475 PolarHBondContact O-N 2.92Å; L472-E475 PolarHBondContact O-N 3.19Å; E475-E478 PolarHBondContact O-N 3.4Å; E475-I479 VanDerWaalsContact O-CG1 3.32Å; E475-I479 WeakPolarHBondContact O-CG1 3.45Å; E475-I479 PolarHBondContact O-N 3.28Å |
| 476 | L | 89.1 | Confident | 90.8 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.6 | -168.3 | 97.9 | 0 | 0 | 0 | 111.3 | L472 R473 I479 Q480 | L472-L476 WeakPolarHBondContact O-CB 3.35Å; L472-L476 PolarHBondContact O-N 2.96Å; R473-L476 WeakPolarHBondContact O-CB 3.43Å; R473-L476 PolarHBondContact O-N 3.05Å; L476-I479 PolarHBondContact O-N 2.93Å; L476-Q480 VanDerWaalsContact O-CG 3.3Å; L476-Q480 WeakPolarHBondContact O-CG 3.44Å; L476-Q480 PolarHBondContact O-N 3Å |
| 477 | E | 91.8 | Very high | 90.8 | Very high | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.9 | -74.8 | 177 | -171.6 | 0 | 0 | 111.6 | R473 N474 I479 Q480 M481 | R473-E477 WeakPolarHBondContact O-CG 3.36Å; R473-E477 PolarHBondContact O-N 3.21Å; N474-E477 PolarHBondContact O-N 3.28Å; E477-I479 PolarHBondContact O-N 3.41Å; E477-Q480 PolarHBondContact O-N 2.86Å; E477-M481 WeakPolarHBondContact O-CG 3.36Å; E477-M481 PolarHBondContact O-N 2.81Å |
| 478 | E | 92 | Very high | 90.8 | Very high | 106 Ų | 106 | 110.1 Ų | 110.1 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.4 | -163.4 | -168.4 | 146.7 | 0 | 0 | 112 | N474 E475 M481 K482 | N474-E478 PolarHBondContact O-N 3.42Å; E475-E478 PolarHBondContact O-N 3.4Å; E478-M481 PolarHBondContact O-N 3.21Å; E478-K482 PolarHBondContact O-N 2.9Å; E478-K482 WeakPolarHBondContact OE1-CE 3.33Å; E478-K482 IonicContact OE1-NZ 3.33Å; E478-K482 PolarHBondContact OE1-NZ 2.92Å |
| 479 | I | 91.5 | Very high | 90.7 | Very high | 98 Ų | 98 | 107.9 Ų | 107.9 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.9 | -68.4 | 167.8 | 0 | 0 | 0 | 110.6 | E475 L476 E477 M481 K482 I483 | E475-I479 VanDerWaalsContact O-CG1 3.32Å; E475-I479 WeakPolarHBondContact O-CG1 3.45Å; E475-I479 PolarHBondContact O-N 3.28Å; L476-I479 PolarHBondContact O-N 2.93Å; E477-I479 PolarHBondContact O-N 3.41Å; I479-M481 VanDerWaalsContact C-N 3.33Å; I479-M481 PolarHBondContact O-N 2.91Å; I479-K482 PolarHBondContact O-N 2.89Å; I479-I483 HydrophobicContact CG2-CD1 3.99Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 3.23Å |
| 480 | Q | 91.8 | Very high | 90.7 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.4 | -75.3 | 176.4 | 3.6 | 0 | 0 | 111.6 | L476 E477 I483 I484 | L476-Q480 VanDerWaalsContact O-CG 3.3Å; L476-Q480 WeakPolarHBondContact O-CG 3.44Å; L476-Q480 PolarHBondContact O-N 3Å; E477-Q480 PolarHBondContact O-N 2.86Å; Q480-I483 PolarHBondContact O-N 3.46Å; Q480-I484 WeakPolarHBondContact O-CG1 3.23Å; Q480-I484 PolarHBondContact O-N 2.91Å |
| 481 | M | 90.2 | Very high | 90.9 | Very high | 119 Ų | 119 | 111.2 Ų | 111.2 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 175 | -75.2 | -59.9 | -60.3 | 0 | 0 | 112.2 | E477 E478 I479 I483 I484 E485 | E477-M481 WeakPolarHBondContact O-CG 3.36Å; E477-M481 PolarHBondContact O-N 2.81Å; E478-M481 PolarHBondContact O-N 3.21Å; I479-M481 VanDerWaalsContact C-N 3.33Å; I479-M481 PolarHBondContact O-N 2.91Å; M481-I483 VanDerWaalsContact C-N 3.34Å; M481-I483 PolarHBondContact O-N 3.43Å; M481-I484 PolarHBondContact O-N 3.45Å; M481-E485 PolarHBondContact O-N 3.44Å |
| 482 | K | 92.4 | Very high | 90.7 | Very high | 113 Ų | 113 | 108.9 Ų | 108.9 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 174.9 | -79.7 | 167.2 | 172.5 | 161.3 | 0 | 112.5 | E478 I479 E485 L486 | E478-K482 PolarHBondContact O-N 2.9Å; E478-K482 WeakPolarHBondContact OE1-CE 3.33Å; E478-K482 IonicContact OE1-NZ 3.33Å; E478-K482 PolarHBondContact OE1-NZ 2.92Å; I479-K482 PolarHBondContact O-N 2.89Å; K482-E485 PolarHBondContact O-N 2.83Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 VanDerWaalsContact O-CG 3.31Å; K482-L486 WeakPolarHBondContact O-CG 3.4Å; K482-L486 PolarHBondContact O-N 3.02Å |
| 483 | I | 91.1 | Very high | 90.6 | Very high | 86 Ų | 86 | 109.7 Ų | 109.7 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.1 | -70.8 | 168.4 | 0 | 0 | 0 | 110.6 | I479 Q480 M481 E485 L486 E487 | I479-I483 HydrophobicContact CG2-CD1 3.99Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 3.23Å; Q480-I483 PolarHBondContact O-N 3.46Å; M481-I483 VanDerWaalsContact C-N 3.34Å; M481-I483 PolarHBondContact O-N 3.43Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 2.82Å; I483-L486 PolarHBondContact O-N 2.87Å; I483-E487 HydrophobicContact CG2-CG 4.42Å; I483-E487 WeakPolarHBondContact O-CG 3.3Å; I483-E487 PolarHBondContact O-N 3.36Å |
| 484 | I | 89.2 | Confident | 90.6 | Very high | 94 Ų | 94 | 108.1 Ų | 108.1 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.8 | -67.8 | 166.2 | 0 | 0 | 0 | 111 | Q480 M481 E487 R488 | Q480-I484 WeakPolarHBondContact O-CG1 3.23Å; Q480-I484 PolarHBondContact O-N 2.91Å; M481-I484 PolarHBondContact O-N 3.45Å; I484-E487 PolarHBondContact O-N 3.24Å; I484-R488 WeakPolarHBondContact O-CB 3.46Å; I484-R488 PolarHBondContact O-N 2.98Å |
| 485 | E | 89.8 | Confident | 90.5 | Very high | 138 Ų | 138 | 109 Ų | 109 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 177.7 | -172.1 | 151.4 | -148.1 | 0 | 0 | 112.5 | M481 K482 I483 R488 S489 | M481-E485 PolarHBondContact O-N 3.44Å; K482-E485 PolarHBondContact O-N 2.83Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 2.82Å; E485-R488 WeakPolarHBondContact O-CB 3.39Å; E485-R488 PolarHBondContact O-N 3.07Å; E485-S489 WeakPolarHBondContact O-CB 3.33Å; E485-S489 PolarHBondContact O-N 3.33Å |
| 486 | L | 90.9 | Very high | 90.4 | Very high | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 172.8 | -74 | 171.5 | 0 | 0 | 0 | 111.9 | K482 I483 R488 S489 V490 | K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 VanDerWaalsContact O-CG 3.31Å; K482-L486 WeakPolarHBondContact O-CG 3.4Å; K482-L486 PolarHBondContact O-N 3.02Å; I483-L486 PolarHBondContact O-N 2.87Å; L486-R488 VanDerWaalsContact C-N 3.28Å; L486-R488 PolarHBondContact O-N 2.95Å; L486-S489 WeakPolarHBondContact O-CB 3.35Å; L486-S489 PolarHBondContact O-N 2.92Å; L486-V490 VanDerWaalsContact O-CG2 3.32Å; L486-V490 WeakPolarHBondContact O-CG2 3.29Å; L486-V490 PolarHBondContact O-N 2.91Å |
| 487 | E | 90.2 | Very high | 90.4 | Very high | 114 Ų | 114 | 110 Ų | 110 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.6 | -73.7 | 179.4 | 169.3 | 0 | 0 | 112.3 | I483 I484 R491 | I483-E487 HydrophobicContact CG2-CG 4.42Å; I483-E487 WeakPolarHBondContact O-CG 3.3Å; I483-E487 PolarHBondContact O-N 3.36Å; I484-E487 PolarHBondContact O-N 3.24Å; E487-R491 PolarHBondContact O-N 3.35Å; E487-R491 VanDerWaalsContact O-N 3.12Å |
| 488 | R | 89.3 | Confident | 90.2 | Very high | 168 Ų | 168 | 110.8 Ų | 110.8 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.4 | -44.3 | 174 | -165.7 | -179 | -173.3 | -168.5 | 2 | 111.2 | I484 E485 L486 R491 I492 | I484-R488 WeakPolarHBondContact O-CB 3.46Å; I484-R488 PolarHBondContact O-N 2.98Å; E485-R488 WeakPolarHBondContact O-CB 3.39Å; E485-R488 PolarHBondContact O-N 3.07Å; L486-R488 VanDerWaalsContact C-N 3.28Å; L486-R488 PolarHBondContact O-N 2.95Å; R488-R491 PolarHBondContact O-N 2.78Å; R488-I492 HydrophobicContact CG-CD1 4.48Å; R488-I492 WeakPolarHBondContact O-CG1 3.24Å; R488-I492 PolarHBondContact O-N 3.41Å; R488-I492 VanDerWaalsContact O-N 3.08Å |
| 489 | S | 90 | Very high | 90 | Very high | 48 Ų | 48 | 111.8 Ų | 111.8 | 34% | 0.336 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | E485 L486 R491 I492 H493 | E485-S489 WeakPolarHBondContact O-CB 3.33Å; E485-S489 PolarHBondContact O-N 3.33Å; L486-S489 WeakPolarHBondContact O-CB 3.35Å; L486-S489 PolarHBondContact O-N 2.92Å; S489-R491 VanDerWaalsContact C-N 3.33Å; S489-R491 PolarHBondContact O-N 3.38Å; S489-I492 WeakPolarHBondContact O-CB 3.41Å; S489-I492 PolarHBondContact O-N 2.87Å; S489-I492 VanDerWaalsContact O-N 3.11Å; S489-H493 PolarHBondContact O-N 3.07Å; S489-H493 PolarHBondContact O-ND1 3.49Å; S489-H493 PolarHBondContact OG-CE1 3.3Å; S489-H493 VanDerWaalsContact OG-CE1 3.29Å; S489-H493 PolarHBondContact OG-ND1 3.38Å |
| 490 | V | 89.7 | Confident | 89.8 | Confident | 79 Ų | 79 | 110 Ų | 110 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176.7 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | L486 I492 H493 Q494 | L486-V490 VanDerWaalsContact O-CG2 3.32Å; L486-V490 WeakPolarHBondContact O-CG2 3.29Å; L486-V490 PolarHBondContact O-N 2.91Å; V490-I492 VanDerWaalsContact C-N 3.34Å; V490-I492 PolarHBondContact O-N 3.16Å; V490-H493 PolarHBondContact O-N 2.68Å; V490-Q494 HydrophobicContact CG1-CG 4.49Å; V490-Q494 VanDerWaalsContact O-CG 3.31Å; V490-Q494 WeakPolarHBondContact O-CG 3.25Å; V490-Q494 PolarHBondContact O-N 3.37Å |
| 491 | R | 91.6 | Very high | 89.7 | Confident | 152 Ų | 152 | 109.2 Ų | 109.2 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 175.5 | -81.1 | -173.1 | -74.2 | 170.7 | -6.7 | 112.9 | E487 R488 S489 Q494 L495 | E487-R491 PolarHBondContact O-N 3.35Å; E487-R491 VanDerWaalsContact O-N 3.12Å; R488-R491 PolarHBondContact O-N 2.78Å; S489-R491 VanDerWaalsContact C-N 3.33Å; S489-R491 PolarHBondContact O-N 3.38Å; R491-Q494 PolarHBondContact O-N 3Å; R491-L495 PolarHBondContact O-N 2.89Å; R491-L495 VanDerWaalsContact O-N 3.07Å |
| 492 | I | 89.6 | Confident | 89.4 | Confident | 86 Ų | 86 | 106.2 Ų | 106.2 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 175.9 | -67.3 | 165.3 | 0 | 0 | 0 | 110.1 | R488 S489 V490 Q494 L495 D496 | R488-I492 HydrophobicContact CG-CD1 4.48Å; R488-I492 WeakPolarHBondContact O-CG1 3.24Å; R488-I492 PolarHBondContact O-N 3.41Å; R488-I492 VanDerWaalsContact O-N 3.08Å; S489-I492 WeakPolarHBondContact O-CB 3.41Å; S489-I492 PolarHBondContact O-N 2.87Å; S489-I492 VanDerWaalsContact O-N 3.11Å; V490-I492 VanDerWaalsContact C-N 3.34Å; V490-I492 PolarHBondContact O-N 3.16Å; I492-Q494 VanDerWaalsContact C-N 3.26Å; I492-Q494 PolarHBondContact O-N 3.05Å; I492-L495 WeakPolarHBondContact O-CB 3.28Å; I492-L495 PolarHBondContact O-N 3.38Å; I492-D496 PolarHBondContact O-N 3.47Å |
| 493 | H | 88.2 | Confident | 89.2 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -32.9 | 178.9 | -70.9 | 73.5 | 0 | 0 | 0 | 112.5 | S489 V490 K497 | S489-H493 PolarHBondContact O-N 3.07Å; S489-H493 PolarHBondContact O-ND1 3.49Å; S489-H493 PolarHBondContact OG-CE1 3.3Å; S489-H493 VanDerWaalsContact OG-CE1 3.29Å; S489-H493 PolarHBondContact OG-ND1 3.38Å; V490-H493 PolarHBondContact O-N 2.68Å; H493-K497 WeakPolarHBondContact O-CB 3.34Å; H493-K497 PolarHBondContact O-N 2.9Å |
| 494 | Q | 91.5 | Very high | 89.1 | Confident | 111 Ų | 111 | 109.1 Ų | 109.1 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 172.7 | -75.3 | 173.4 | -3.3 | 0 | 0 | 112.3 | V490 R491 I492 K497 H498 | V490-Q494 HydrophobicContact CG1-CG 4.49Å; V490-Q494 VanDerWaalsContact O-CG 3.31Å; V490-Q494 WeakPolarHBondContact O-CG 3.25Å; V490-Q494 PolarHBondContact O-N 3.37Å; R491-Q494 PolarHBondContact O-N 3Å; I492-Q494 VanDerWaalsContact C-N 3.26Å; I492-Q494 PolarHBondContact O-N 3.05Å; Q494-K497 PolarHBondContact O-N 2.76Å; Q494-H498 PolarHBondContact O-CD2 2.79Å; Q494-H498 VanDerWaalsContact O-CD2 3.32Å; Q494-H498 PolarHBondContact O-N 2.77Å |
| 495 | L | 88.5 | Confident | 89 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 173.9 | -79.2 | 164.2 | 0 | 0 | 0 | 111.2 | R491 I492 K497 H498 Q499 | R491-L495 PolarHBondContact O-N 2.89Å; R491-L495 VanDerWaalsContact O-N 3.07Å; I492-L495 WeakPolarHBondContact O-CB 3.28Å; I492-L495 PolarHBondContact O-N 3.38Å; L495-K497 PolarHBondContact O-N 2.86Å; L495-H498 WeakPolarHBondContact O-CB 3.31Å; L495-H498 PolarHBondContact O-N 3.39Å; L495-H498 VanDerWaalsContact O-N 3.16Å; L495-Q499 PolarHBondContact O-N 3.06Å |
| 496 | D | 89.7 | Confident | 88.8 | Confident | 90 Ų | 90 | 109.1 Ų | 109.1 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.4 | -68.1 | -21.4 | 0 | 0 | 0 | 111.7 | I492 H498 Q499 A500 | I492-D496 PolarHBondContact O-N 3.47Å; D496-H498 PolarHBondContact O-N 2.85Å; D496-Q499 PolarHBondContact O-N 2.87Å; D496-A500 WeakPolarHBondContact O-CB 3.3Å; D496-A500 PolarHBondContact O-N 3.23Å |
| 497 | K | 89.2 | Confident | 88.7 | Confident | 141 Ų | 141 | 108.5 Ų | 108.5 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.7 | -45.9 | 172.8 | 177.5 | -177.7 | 175.2 | 180 | 0 | 111.5 | H493 Q494 L495 Q499 A500 I501 | H493-K497 WeakPolarHBondContact O-CB 3.34Å; H493-K497 PolarHBondContact O-N 2.9Å; Q494-K497 PolarHBondContact O-N 2.76Å; L495-K497 PolarHBondContact O-N 2.86Å; K497-Q499 VanDerWaalsContact C-N 3.32Å; K497-Q499 PolarHBondContact O-N 3.22Å; K497-A500 PolarHBondContact O-N 3.15Å; K497-I501 HydrophobicContact CG-CD1 3.96Å; K497-I501 VanDerWaalsContact O-CG1 3.28Å; K497-I501 WeakPolarHBondContact O-CG1 3.19Å; K497-I501 PolarHBondContact O-N 2.82Å |
| 498 | H | 88.3 | Confident | 88.6 | Confident | 132 Ų | 132 | 109.2 Ų | 109.2 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 177.5 | -92.6 | -69 | 0 | 0 | 0 | 112.1 | Q494 L495 D496 I501 S502 | Q494-H498 PolarHBondContact O-CD2 2.79Å; Q494-H498 VanDerWaalsContact O-CD2 3.32Å; Q494-H498 PolarHBondContact O-N 2.77Å; L495-H498 WeakPolarHBondContact O-CB 3.31Å; L495-H498 PolarHBondContact O-N 3.39Å; L495-H498 VanDerWaalsContact O-N 3.16Å; D496-H498 PolarHBondContact O-N 2.85Å; H498-I501 PolarHBondContact O-N 3.32Å; H498-S502 PolarHBondContact O-N 2.79Å |
| 499 | Q | 87.6 | Confident | 88.2 | Confident | 128 Ų | 128 | 104 Ų | 104 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 176.4 | -171.7 | 163.8 | -17 | 0 | 0 | 111.4 | L495 D496 K497 I501 S502 E503 | L495-Q499 PolarHBondContact O-N 3.06Å; D496-Q499 PolarHBondContact O-N 2.87Å; K497-Q499 VanDerWaalsContact C-N 3.32Å; K497-Q499 PolarHBondContact O-N 3.22Å; Q499-I501 PolarHBondContact O-N 2.93Å; Q499-S502 WeakPolarHBondContact O-CB 3.33Å; Q499-S502 PolarHBondContact O-N 3.3Å; Q499-E503 WeakPolarHBondContact O-CG 3.47Å; Q499-E503 PolarHBondContact O-N 2.92Å |
| 500 | A | 87.3 | Confident | 87.9 | Confident | 61 Ų | 61 | 109.3 Ų | 109.3 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D496 K497 S502 E503 Y504 | D496-A500 WeakPolarHBondContact O-CB 3.3Å; D496-A500 PolarHBondContact O-N 3.23Å; K497-A500 PolarHBondContact O-N 3.15Å; A500-S502 VanDerWaalsContact C-N 3.32Å; A500-S502 PolarHBondContact O-N 2.95Å; A500-E503 PolarHBondContact O-N 3.19Å; A500-Y504 WeakPolarHBondContact O-CB 3.41Å; A500-Y504 PolarHBondContact O-N 3.48Å |
| 501 | I | 88.4 | Confident | 87.3 | Confident | 82 Ų | 82 | 110 Ų | 110 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.8 | -68.7 | 165.9 | 0 | 0 | 0 | 110.8 | K497 H498 Q499 Y504 E505 | K497-I501 HydrophobicContact CG-CD1 3.96Å; K497-I501 VanDerWaalsContact O-CG1 3.28Å; K497-I501 WeakPolarHBondContact O-CG1 3.19Å; K497-I501 PolarHBondContact O-N 2.82Å; H498-I501 PolarHBondContact O-N 3.32Å; Q499-I501 PolarHBondContact O-N 2.93Å; I501-Y504 PolarHBondContact O-N 3.23Å; I501-E505 PolarHBondContact O-N 2.92Å |
| 502 | S | 85.1 | Confident | 86.6 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.2 | -161.5 | 0 | 0 | 0 | 0 | 112.3 | H498 Q499 A500 Y504 E505 R506 | H498-S502 PolarHBondContact O-N 2.79Å; Q499-S502 WeakPolarHBondContact O-CB 3.33Å; Q499-S502 PolarHBondContact O-N 3.3Å; A500-S502 VanDerWaalsContact C-N 3.32Å; A500-S502 PolarHBondContact O-N 2.95Å; S502-Y504 VanDerWaalsContact C-N 3.34Å; S502-E505 PolarHBondContact O-N 2.97Å; S502-R506 WeakPolarHBondContact O-CG 3.43Å; S502-R506 PolarHBondContact O-N 3.3Å |
| 503 | E | 87.3 | Confident | 85.9 | Confident | 101 Ų | 101 | 110.6 Ų | 110.6 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 173.2 | -71.8 | -57.2 | 125.2 | 0 | 0 | 111.7 | Q499 A500 R506 L507 | Q499-E503 WeakPolarHBondContact O-CG 3.47Å; Q499-E503 PolarHBondContact O-N 2.92Å; A500-E503 PolarHBondContact O-N 3.19Å; E503-R506 WeakPolarHBondContact O-CB 3.5Å; E503-R506 PolarHBondContact O-N 3.29Å; E503-R506 IonicContact OE1-CZ 3.27Å; E503-R506 IonicContact OE1-NH1 2.76Å; E503-R506 PolarHBondContact OE1-NH1 3.33Å; E503-L507 PolarHBondContact O-N 2.97Å |
| 504 | Y | 89.2 | Confident | 85 | Confident | 159 Ų | 159 | 109.8 Ų | 109.8 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 176.6 | -166.7 | -90.8 | 0 | 0 | 0 | 112.3 | A500 I501 S502 R506 L507 R508 | A500-Y504 WeakPolarHBondContact O-CB 3.41Å; A500-Y504 PolarHBondContact O-N 3.48Å; I501-Y504 PolarHBondContact O-N 3.23Å; S502-Y504 VanDerWaalsContact C-N 3.34Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 2.98Å; Y504-L507 WeakPolarHBondContact O-CB 3.42Å; Y504-L507 PolarHBondContact O-N 2.85Å; Y504-R508 WeakPolarHBondContact O-CB 3.32Å; Y504-R508 PolarHBondContact O-N 3.03Å |
| 505 | E | 87.9 | Confident | 83.8 | Confident | 81 Ų | 81 | 108 Ų | 108 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -34.5 | 176.6 | -75.6 | -66.7 | 176.9 | 0 | 0 | 112.5 | I501 S502 R508 S509 | I501-E505 PolarHBondContact O-N 2.92Å; S502-E505 PolarHBondContact O-N 2.97Å; E505-R508 IonicContact OE1-NH1 3.19Å; E505-R508 PolarHBondContact OE1-NH1 3.41Å; E505-R508 IonicContact OE2-CZ 3.11Å; E505-R508 IonicContact OE2-NE 3.44Å; E505-R508 IonicContact OE2-NH1 2.69Å; E505-R508 PolarHBondContact OE2-NH1 3.27Å; E505-S509 VanDerWaalsContact O-CB 3.29Å; E505-S509 WeakPolarHBondContact O-CB 3.25Å; E505-S509 PolarHBondContact O-N 2.87Å; E505-S509 PolarHBondContact O-OG 3.1Å |
| 506 | R | 85.6 | Confident | 82.6 | Confident | 151 Ų | 151 | 108.2 Ų | 108.2 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 171.1 | -78.4 | 175.6 | 177.4 | 142.9 | 4.2 | 111.7 | S502 E503 Y504 R510 | S502-R506 WeakPolarHBondContact O-CG 3.43Å; S502-R506 PolarHBondContact O-N 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.5Å; E503-R506 PolarHBondContact O-N 3.29Å; E503-R506 IonicContact OE1-CZ 3.27Å; E503-R506 IonicContact OE1-NH1 2.76Å; E503-R506 PolarHBondContact OE1-NH1 3.33Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-R506 PolarHBondContact O-N 2.98Å; R506-R510 PolarHBondContact O-N 3.36Å; R506-R510 VanDerWaalsContact O-N 3.09Å |
| 507 | L | 88 | Confident | 81 | Confident | 102 Ų | 102 | 107.9 Ų | 107.9 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 177.2 | -178.2 | 65.5 | 0 | 0 | 0 | 111.4 | E503 Y504 S509 R510 I511 | E503-L507 PolarHBondContact O-N 2.97Å; Y504-L507 WeakPolarHBondContact O-CB 3.42Å; Y504-L507 PolarHBondContact O-N 2.85Å; L507-S509 VanDerWaalsContact C-N 3.33Å; L507-S509 PolarHBondContact O-N 3.22Å; L507-R510 WeakPolarHBondContact O-CA 3.37Å; L507-R510 VanDerWaalsContact O-CB 3.25Å; L507-R510 WeakPolarHBondContact O-CB 3.25Å; L507-R510 PolarHBondContact O-N 2.83Å; L507-I511 HydrophobicContact CG-CD1 4.31Å; L507-I511 PolarHBondContact O-N 2.95Å |
| 508 | R | 89.2 | Confident | 79.3 | Confident | 129 Ų | 129 | 106.1 Ų | 106.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.4 | -45.6 | 176.4 | 176.7 | -177 | 158.9 | -151.7 | 2.9 | 112 | Y504 E505 R510 I511 M512 | Y504-R508 WeakPolarHBondContact O-CB 3.32Å; Y504-R508 PolarHBondContact O-N 3.03Å; E505-R508 IonicContact OE1-NH1 3.19Å; E505-R508 PolarHBondContact OE1-NH1 3.41Å; E505-R508 IonicContact OE2-CZ 3.11Å; E505-R508 IonicContact OE2-NE 3.44Å; E505-R508 IonicContact OE2-NH1 2.69Å; E505-R508 PolarHBondContact OE2-NH1 3.27Å; R508-R510 PolarHBondContact O-N 3.39Å; R508-I511 PolarHBondContact O-N 3.3Å; R508-M512 PolarHBondContact O-N 3.45Å |
| 509 | S | 80.9 | Confident | 77.5 | Confident | 58 Ų | 58 | 103.6 Ų | 103.6 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -28.7 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | E505 L507 R513 | E505-S509 VanDerWaalsContact O-CB 3.29Å; E505-S509 WeakPolarHBondContact O-CB 3.25Å; E505-S509 PolarHBondContact O-N 2.87Å; E505-S509 PolarHBondContact O-OG 3.1Å; L507-S509 VanDerWaalsContact C-N 3.33Å; L507-S509 PolarHBondContact O-N 3.22Å; S509-R513 PolarHBondContact O-N 2.9Å; S509-R513 PolarHBondContact O-NE 3.45Å |
| 510 | R | 82.5 | Confident | 75.4 | Confident | 160 Ų | 160 | 101.8 Ų | 101.8 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -47.3 | 171.6 | -168.4 | 73.9 | 66.6 | 90.3 | 2.9 | 111.1 | R506 L507 R508 R513 I514 | R506-R510 PolarHBondContact O-N 3.36Å; R506-R510 VanDerWaalsContact O-N 3.09Å; L507-R510 WeakPolarHBondContact O-CA 3.37Å; L507-R510 VanDerWaalsContact O-CB 3.25Å; L507-R510 WeakPolarHBondContact O-CB 3.25Å; L507-R510 PolarHBondContact O-N 2.83Å; R508-R510 PolarHBondContact O-N 3.39Å; R510-R513 PolarHBondContact O-N 3.47Å; R510-I514 HydrophobicContact CG-CD1 4.44Å; R510-I514 WeakPolarHBondContact O-CG1 3.39Å; R510-I514 PolarHBondContact O-N 2.97Å |
| 511 | I | 78.4 | Confident | 73 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -47 | 178.9 | -65.7 | 170.4 | 0 | 0 | 0 | 110.9 | L507 R508 R513 I514 V515 | L507-I511 HydrophobicContact CG-CD1 4.31Å; L507-I511 PolarHBondContact O-N 2.95Å; R508-I511 PolarHBondContact O-N 3.3Å; I511-R513 VanDerWaalsContact C-N 3.29Å; I511-R513 PolarHBondContact O-N 2.91Å; I511-I514 WeakPolarHBondContact O-CB 3.33Å; I511-I514 PolarHBondContact O-N 2.95Å; I511-V515 HydrophobicContact CG2-CG2 4.12Å; I511-V515 WeakPolarHBondContact O-CG2 3.3Å; I511-V515 PolarHBondContact O-N 3.49Å |
| 512 | M | 76.3 | Confident | 70.5 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 177.7 | -78.3 | -74.6 | -87.5 | 0 | 0 | 111.7 | R508 I514 V515 F516 | R508-M512 PolarHBondContact O-N 3.45Å; M512-I514 VanDerWaalsContact C-N 3.32Å; M512-I514 PolarHBondContact O-N 3.24Å; M512-V515 PolarHBondContact O-N 3.37Å; M512-F516 HydrophobicContact CE-CD2 4.26Å; M512-F516 HydrophobicContact CE-CE2 3.56Å; M512-F516 WeakPolarHBondContact O-CB 3.45Å; M512-F516 WeakPolarHBondContact O-CD2 3.36Å; M512-F516 PolarHBondContact O-N 3.02Å; M512-F516 HydrophobicContact SD-CD2 4.26Å; M512-F516 HydrophobicContact SD-CE2 3.88Å |
| 513 | R | 73.9 | Confident | 68 | Low | 158 Ų | 158 | 113.9 Ų | 113.9 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.3 | -39.2 | 174.8 | -83.1 | -177.1 | -72.1 | -152.1 | -1.8 | 112.7 | S509 R510 I511 S517 | S509-R513 PolarHBondContact O-N 2.9Å; S509-R513 PolarHBondContact O-NE 3.45Å; R510-R513 PolarHBondContact O-N 3.47Å; I511-R513 VanDerWaalsContact C-N 3.29Å; I511-R513 PolarHBondContact O-N 2.91Å; R513-S517 VanDerWaalsContact O-CB 3.32Å; R513-S517 WeakPolarHBondContact O-CB 3.34Å; R513-S517 PolarHBondContact O-N 2.87Å; R513-S517 PolarHBondContact O-OG 3.24Å |
| 514 | I | 69.2 | Low | 65 | Low | 100 Ų | 100 | 113.5 Ų | 113.5 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66 | -51.1 | 177 | -65 | 166.5 | 0 | 0 | 0 | 110.2 | R510 I511 M512 F516 S517 V518 | R510-I514 HydrophobicContact CG-CD1 4.44Å; R510-I514 WeakPolarHBondContact O-CG1 3.39Å; R510-I514 PolarHBondContact O-N 2.97Å; I511-I514 WeakPolarHBondContact O-CB 3.33Å; I511-I514 PolarHBondContact O-N 2.95Å; M512-I514 VanDerWaalsContact C-N 3.32Å; M512-I514 PolarHBondContact O-N 3.24Å; I514-F516 PolarHBondContact O-N 2.88Å; I514-S517 PolarHBondContact O-N 2.94Å; I514-S517 VanDerWaalsContact O-N 3.15Å; I514-V518 WeakPolarHBondContact O-CG2 3.38Å; I514-V518 PolarHBondContact O-N 2.7Å |
| 515 | V | 66.5 | Low | 62.2 | Low | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -44.2 | -178.1 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I511 M512 S517 V518 T519 | I511-V515 HydrophobicContact CG2-CG2 4.12Å; I511-V515 WeakPolarHBondContact O-CG2 3.3Å; I511-V515 PolarHBondContact O-N 3.49Å; M512-V515 PolarHBondContact O-N 3.37Å; V515-S517 VanDerWaalsContact C-N 3.33Å; V515-S517 PolarHBondContact O-N 2.99Å; V515-V518 PolarHBondContact O-N 3.35Å; V515-V518 VanDerWaalsContact O-N 3.15Å; V515-T519 PolarHBondContact O-N 3.25Å; V515-T519 PolarHBondContact O-OG1 2.98Å; V515-T519 VanDerWaalsContact O-OG1 3.1Å |
| 516 | F | 63.6 | Low | 59.4 | Low | 124 Ų | 124 | 114.4 Ų | 114.4 | 54% | 0.544 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.8 | -27 | 177.3 | -84.6 | -80.3 | 0 | 0 | 0 | 113.6 | M512 I514 V518 T519 S520 | M512-F516 HydrophobicContact CE-CD2 4.26Å; M512-F516 HydrophobicContact CE-CE2 3.56Å; M512-F516 WeakPolarHBondContact O-CB 3.45Å; M512-F516 WeakPolarHBondContact O-CD2 3.36Å; M512-F516 PolarHBondContact O-N 3.02Å; M512-F516 HydrophobicContact SD-CD2 4.26Å; M512-F516 HydrophobicContact SD-CE2 3.88Å; I514-F516 PolarHBondContact O-N 2.88Å; F516-V518 VanDerWaalsContact C-N 3.32Å; F516-T519 WeakPolarHBondContact CA-OG1 3.38Å; F516-S520 PolarHBondContact O-N 3.39Å; F516-S520 PolarHBondContact O-OG 3.19Å |
| 517 | S | 56 | Low | 56.6 | Low | 82 Ų | 82 | 115.6 Ų | 115.6 | 57% | 0.573 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.8 | -31.7 | 170.1 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | R513 I514 V515 | R513-S517 VanDerWaalsContact O-CB 3.32Å; R513-S517 WeakPolarHBondContact O-CB 3.34Å; R513-S517 PolarHBondContact O-N 2.87Å; R513-S517 PolarHBondContact O-OG 3.24Å; I514-S517 PolarHBondContact O-N 2.94Å; I514-S517 VanDerWaalsContact O-N 3.15Å; V515-S517 VanDerWaalsContact C-N 3.33Å; V515-S517 PolarHBondContact O-N 2.99Å |
| 518 | V | 54.4 | Low | 53.7 | Low | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.2 | -32.3 | 178 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | I514 V515 F516 S520 | I514-V518 WeakPolarHBondContact O-CG2 3.38Å; I514-V518 PolarHBondContact O-N 2.7Å; V515-V518 PolarHBondContact O-N 3.35Å; V515-V518 VanDerWaalsContact O-N 3.15Å; F516-V518 VanDerWaalsContact C-N 3.32Å; V518-S520 VanDerWaalsContact C-N 3.31Å; V518-S520 PolarHBondContact O-N 2.9Å |
| 519 | T | 50.9 | Low | 50.8 | Low | 79 Ų | 79 | 120 Ų | 120 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -82.5 | -6.6 | 179.3 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | V515 F516 D521 | V515-T519 PolarHBondContact O-N 3.25Å; V515-T519 PolarHBondContact O-OG1 2.98Å; V515-T519 VanDerWaalsContact O-OG1 3.1Å; F516-T519 WeakPolarHBondContact CA-OG1 3.38Å; T519-D521 PolarHBondContact O-N 2.93Å |
| 520 | S | 42.8 | Very low | 48.1 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -9.5 | 175 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | F516 V518 | F516-S520 PolarHBondContact O-N 3.39Å; F516-S520 PolarHBondContact O-OG 3.19Å; V518-S520 VanDerWaalsContact C-N 3.31Å; V518-S520 PolarHBondContact O-N 2.9Å |
| 521 | D | 36.8 | Very low | 45.6 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 7.6 | -173.7 | -79.1 | -15.3 | 0 | 0 | 0 | 116.7 | T519 | T519-D521 PolarHBondContact O-N 2.93Š|
| 522 | T | 36.9 | Very low | 43.1 | Very low | 121 Ų | 121 | 125 Ų | 125 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | trans | -132.7 | 76.7 | 174.6 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 523 | Q | 30.7 | Very low | 40.8 | Very low | 190 Ų | 190 | 125.6 Ų | 125.6 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | trans | -44.3 | 155.8 | 142.9 | -82.1 | 177.6 | 10.8 | 0 | 0 | 111.2 | ||||
| 524 | C | 26.2 | Very low | 38.5 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | cis | 178.4 | 159.1 | -4.4 | -176 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 525 | N | 28.6 | Very low | 36.4 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | trans | 80.7 | 103.9 | 159.3 | -63.5 | -37.7 | 0 | 0 | 0 | 119.9 | ||||
| 526 | T | 29.7 | Very low | 34.5 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | 169.6 | 97.2 | 103.2 | 42.7 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 527 | K | 26.7 | Very low | 32.7 | Very low | 176 Ų | 176 | 128 Ų | 128 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | 62 | 112.6 | 66.9 | -82.9 | -175.6 | 179.6 | 170.9 | 0 | 116.9 | |||||
| 528 | K | 26.6 | Very low | 31.3 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | 82.6 | 125.9 | 152.8 | -61.8 | 178 | 175.2 | -174.9 | 0 | 115.6 | ||||
| 529 | T | 28.2 | Very low | 30 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | -168.1 | 125 | 69.6 | -42 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 530 | L | 26.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | 38.1 | 132.4 | 114.7 | -102.4 | 73.1 | 0 | 0 | 0 | 114.6 | |||||
| 531 | E | 28.2 | Very low | 28.1 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | cis | -174.1 | 142.1 | 26.5 | -136.3 | 160.9 | -147.3 | 0 | 0 | 110.1 | ||||
| 532 | T | 26.3 | Very low | 27.8 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 41.7 | 117.5 | 146.7 | 46.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 533 | S | 28.7 | Very low | 27.6 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | 156.4 | 122.6 | 91.8 | 49 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 534 | N | 25.7 | Very low | 27.4 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 57.9 | 110.9 | 135 | -65.9 | -4.9 | 0 | 0 | 0 | 124.7 | ||||
| 535 | T | 24.7 | Very low | 27.4 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | 71.9 | 116.7 | 116 | -33.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 536 | T | 26.7 | Very low | 27.4 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | 153.1 | 110.1 | 129.3 | 42.2 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 537 | N | 25.4 | Very low | 27.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | 116.4 | 148 | 71 | -87.8 | -6.2 | 0 | 0 | 0 | 108.4 | |||||
| 538 | T | 27.5 | Very low | 27.2 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 74.3 | 129.7 | 168.5 | 67.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 539 | T | 27.3 | Very low | 27.3 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | cis | -167.9 | 130.2 | 13.5 | 6.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 540 | T | 27.6 | Very low | 27.2 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | 43 | 113 | 141.3 | 20.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 541 | D | 25.6 | Very low | 27.3 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -59.9 | 168.9 | 156.8 | -62 | -56.4 | 0 | 0 | 0 | 115.5 | ||||
| 542 | N | 29.6 | Very low | 27.2 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 83.9 | 103.2 | 143.9 | -68.2 | -21.9 | 0 | 0 | 0 | 118.9 | ||||
| 543 | N | 33.4 | Very low | 27.4 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | -175.4 | 108.3 | 95.6 | -89.4 | -25.8 | 0 | 0 | 0 | 110.4 | |||||
| 544 | N | 26.6 | Very low | 27.2 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 91% | 0.914 | 74% | 0.742 | S | S | * | * | trans | -140.4 | 122.4 | 163 | -116.4 | -8.9 | 0 | 0 | 0 | 105.4 | ||||
| 545 | S | 26.7 | Very low | 27.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 154.7 | 127.6 | 137.1 | -163.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 546 | S | 27.8 | Very low | 27.6 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 73 | 150.2 | 143.6 | -60.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 547 | N | 26 | Very low | 27.6 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | cis | 178.6 | 161.2 | -20.9 | -162.9 | 28.1 | 0 | 0 | 0 | 103.7 | ||||
| 548 | D | 27.5 | Very low | 27.8 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 89.5 | 117.6 | 153.7 | -59.8 | -42.8 | 0 | 0 | 0 | 122.1 | ||||
| 549 | N | 27.9 | Very low | 27.9 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | 106.4 | 112.2 | 137.5 | -69 | -38.1 | 0 | 0 | 0 | 120.2 | ||||
| 550 | K | 26.7 | Very low | 27.7 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | 62.6 | 139 | 126.2 | -69.3 | -177.6 | 178.9 | -178.3 | 0 | 117.7 | |||||
| 551 | D | 27 | Very low | 27.8 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | cis | -165.8 | 154 | 13 | -98.8 | -32.5 | 0 | 0 | 0 | 107 | ||||
| 552 | N | 27.2 | Very low | 27.8 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | 57.1 | 103.3 | 142.1 | -70.7 | -13.6 | 0 | 0 | 0 | 121.3 | ||||
| 553 | N | 29.5 | Very low | 27.7 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | 157.6 | 122 | 87.8 | -89 | -22.9 | 0 | 0 | 0 | 111.8 | |||||
| 554 | N | 25.8 | Very low | 27.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -52.3 | 150.4 | 160.1 | -83.7 | -18.8 | 0 | 0 | 0 | 111.2 | ||||
| 555 | P | 29.1 | Very low | 27.4 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | -138.2 | 119.9 | 90.6 | 28.3 | -9.8 | 0 | 0 | 0 | 113.7 | |||||
| 556 | T | 27.8 | Very low | 27.6 | Very low | 104 Ų | 104 | 129 Ų | 129 | 64% | 0.638 | 74% | 0.739 | S | S | * | * | trans | -77.6 | 155 | 148.6 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 557 | D | 27.2 | Very low | 27.6 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 73 | 98.1 | 164.8 | -72.3 | -16.5 | 0 | 0 | 0 | 119 | ||||
| 558 | N | 30.7 | Very low | 27.8 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | -170.6 | 139.4 | 94.4 | -102.4 | -23.5 | 0 | 0 | 0 | 113.3 | |||||
| 559 | S | 28.7 | Very low | 27.8 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -53.2 | 134.6 | 176.4 | 49.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 560 | F | 23.8 | Very low | 28 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -79.9 | 127.7 | 154.2 | -79.9 | -93 | 0 | 0 | 0 | 109.4 | ||||
| 561 | P | 29 | Very low | 28.2 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | -142.2 | 123.9 | 125.2 | 30.6 | -13.1 | 0 | 0 | 0 | 113.5 | |||||
| 562 | I | 25.8 | Very low | 28.3 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | 38.8 | 112.1 | 135.3 | -47.4 | 170 | 0 | 0 | 0 | 117.2 | ||||
| 563 | N | 27.7 | Very low | 28.6 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | -171.4 | 140.3 | 114.6 | -146.1 | 1.7 | 0 | 0 | 0 | 115.2 | |||||
| 564 | S | 28.7 | Very low | 28.7 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 49.9 | 119.4 | 142.8 | 58.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 565 | G | 25.5 | Very low | 28.9 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 157.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 566 | S | 30.6 | Very low | 29 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -130.8 | 109.4 | 161.5 | 54.3 | 0 | 0 | 0 | 0 | 108.2 | I568 | S566-I568 PolarHBondContact O-N 3.45Š| ||
| 567 | N | 27.1 | Very low | 29.4 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -57.5 | 111.5 | 168.2 | -157 | 11.2 | 0 | 0 | 0 | 109 | ||||
| 568 | I | 29.8 | Very low | 29.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -128.4 | 124.3 | 165.2 | -61.4 | -178.6 | 0 | 0 | 0 | 108 | S566 | S566-I568 PolarHBondContact O-N 3.45Š| ||
| 569 | Q | 28.6 | Very low | 30.2 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -63.3 | 155.9 | -168.4 | -75.4 | 175.7 | -53 | 0 | 0 | 114.3 | N571 | Q569-N571 PolarHBondContact O-N 3.35Š| ||
| 570 | P | 31.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -68.9 | 122.4 | 172.6 | 29 | -32.1 | 0 | 0 | 0 | 109.9 | ||||
| 571 | N | 32.3 | Very low | 31.8 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -90.3 | 111.4 | 173.5 | -127.7 | 8.9 | 0 | 0 | 0 | 108.5 | Q569 L573 | Q569-N571 PolarHBondContact O-N 3.35Å; N571-L573 PolarHBondContact O-N 2.95Å | ||
| 572 | E | 28.6 | Very low | 32.6 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -58.2 | 119.9 | 165 | -66.9 | 172 | 152.4 | 0 | 0 | 109 | ||||
| 573 | L | 33.6 | Very low | 33.9 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -118.3 | 98.4 | 161.2 | -90.9 | 160.5 | 0 | 0 | 0 | 107.7 | N571 | N571-L573 PolarHBondContact O-N 2.95Š| ||
| 574 | S | 30.8 | Very low | 35.2 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -28.7 | 124.4 | 152.9 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 575 | D | 29.2 | Very low | 36.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | 74.8 | 105.8 | 97.2 | -160.9 | 19.4 | 0 | 0 | 0 | 112.2 | |||||
| 576 | Q | 32.2 | Very low | 37.9 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 157.4 | 97.7 | 145.3 | -88.1 | 173.7 | 24.1 | 0 | 0 | 111.1 | ||||
| 577 | S | 36.9 | Very low | 39.6 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 177.2 | 94.5 | 130.3 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 578 | K | 32.7 | Very low | 41.5 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | -64.2 | 123.3 | 147.8 | -87.2 | 174.6 | 169.3 | 174.4 | 0 | 106.8 | ||||
| 579 | D | 41.3 | Very low | 43.5 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -154.8 | 119.2 | 143.5 | -92.8 | -32.1 | 0 | 0 | 0 | 108.9 | L581 | D579-L581 PolarHBondContact O-N 3.42Š| ||
| 580 | D | 36.2 | Very low | 45.8 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | -69.5 | 118.3 | -176.5 | -54.7 | -61.6 | 0 | 0 | 0 | 110.9 | K1141 | D580-K1141 IonicContact OD2-NZ 2.8Å; D580-K1141 PolarHBondContact OD2-NZ 3.39Å | ||
| 581 | L | 49.2 | Very low | 48 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | trans | -142.1 | 116.8 | 163.4 | -100.8 | 142.3 | 0 | 0 | 0 | 110.5 | D579 | D579-L581 PolarHBondContact O-N 3.42Š| ||
| 582 | D | 46.6 | Very low | 50.4 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | trans | 60.3 | 95 | 158.3 | -80.1 | -22.7 | 0 | 0 | 0 | 121.4 | N584 H585 | D582-N584 PolarHBondContact O-N 2.94Å; D582-H585 PolarHBondContact O-N 3.2Å; D582-H585 VanDerWaalsContact O-N 3.09Å | ||
| 583 | S | 52.2 | Low | 52.9 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -48.5 | -13 | 161.7 | -178.6 | 0 | 0 | 0 | 0 | 116 | ||
| 584 | N | 55 | Low | 55.2 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 58% | 0.578 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.9 | -28.7 | 178.3 | -165.1 | 4.4 | 0 | 0 | 0 | 112 | D582 N586 Q588 | D582-N584 PolarHBondContact O-N 2.94Å; N584-N586 VanDerWaalsContact C-N 3.29Å; N584-Q588 PolarHBondContact O-N 3.45Å |
| 585 | H | 54.7 | Low | 57.9 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.1 | -24.4 | 175.2 | -142.5 | 50.7 | 0 | 0 | 0 | 111.7 | D582 Q588 L589 | D582-H585 PolarHBondContact O-N 3.2Å; D582-H585 VanDerWaalsContact O-N 3.09Å; H585-Q588 PolarHBondContact O-N 3.13Å; H585-L589 WeakPolarHBondContact O-CA 3.37Å; H585-L589 WeakPolarHBondContact O-CB 3.46Å; H585-L589 PolarHBondContact O-N 3.23Å |
| 586 | N | 57.9 | Low | 60.6 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.1 | -36.2 | 178 | -73.4 | -18.7 | 0 | 0 | 0 | 113.2 | N584 L589 L590 | N584-N586 VanDerWaalsContact C-N 3.29Å; N586-L589 PolarHBondContact O-N 3.47Å; N586-L590 VanDerWaalsContact O-CB 3.31Å; N586-L590 WeakPolarHBondContact O-CB 3.42Å; N586-L590 PolarHBondContact O-N 2.93Å |
| 587 | E | 64.9 | Low | 63.2 | Low | 140 Ų | 140 | 117.9 Ų | 117.9 | 65% | 0.654 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -41.7 | 172.5 | -78.3 | -164.5 | 163.5 | 0 | 0 | 111.5 | L589 L590 D591 | E587-L589 VanDerWaalsContact C-N 3.27Å; E587-L589 PolarHBondContact O-N 3.49Å; E587-L590 WeakPolarHBondContact O-CB 3.34Å; E587-L590 PolarHBondContact O-N 2.92Å; E587-L590 VanDerWaalsContact O-N 3.09Å; E587-D591 PolarHBondContact O-N 3.22Å |
| 588 | Q | 68.2 | Low | 65.6 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.9 | -35.6 | 172.7 | -72.4 | -179.6 | 8.1 | 0 | 0 | 112.3 | N584 H585 R592 | N584-Q588 PolarHBondContact O-N 3.45Å; H585-Q588 PolarHBondContact O-N 3.13Å; Q588-R592 WeakPolarHBondContact O-CB 3.48Å; Q588-R592 PolarHBondContact O-N 3.39Å |
| 589 | L | 71.2 | Confident | 68.1 | Low | 84 Ų | 84 | 109.5 Ų | 109.5 | 44% | 0.44 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.2 | -37.2 | 174.1 | -169.9 | 73.9 | 0 | 0 | 0 | 110.3 | H585 N586 E587 R592 I593 | H585-L589 WeakPolarHBondContact O-CA 3.37Å; H585-L589 WeakPolarHBondContact O-CB 3.46Å; H585-L589 PolarHBondContact O-N 3.23Å; N586-L589 PolarHBondContact O-N 3.47Å; E587-L589 VanDerWaalsContact C-N 3.27Å; E587-L589 PolarHBondContact O-N 3.49Å; L589-R592 PolarHBondContact O-N 3.03Å; L589-I593 HydrophobicContact CD2-CD1 4.28Å; L589-I593 HydrophobicContact CG-CD1 3.87Å; L589-I593 HydrophobicContact CG-CG1 4.39Å; L589-I593 VanDerWaalsContact O-CB 3.24Å; L589-I593 WeakPolarHBondContact O-CB 3.37Å; L589-I593 WeakPolarHBondContact O-CD1 3.49Å; L589-I593 WeakPolarHBondContact O-CG1 3.19Å; L589-I593 PolarHBondContact O-N 2.92Å |
| 590 | L | 77.2 | Confident | 70.2 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 176.3 | -155 | 71 | 0 | 0 | 0 | 111.1 | N586 E587 I593 Q594 | N586-L590 VanDerWaalsContact O-CB 3.31Å; N586-L590 WeakPolarHBondContact O-CB 3.42Å; N586-L590 PolarHBondContact O-N 2.93Å; E587-L590 WeakPolarHBondContact O-CB 3.34Å; E587-L590 PolarHBondContact O-N 2.92Å; E587-L590 VanDerWaalsContact O-N 3.09Å; L590-I593 PolarHBondContact O-N 3.22Å; L590-Q594 VanDerWaalsContact O-CB 3.23Å; L590-Q594 WeakPolarHBondContact O-CB 3.19Å; L590-Q594 PolarHBondContact O-N 2.81Å |
| 591 | D | 78 | Confident | 72.5 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 172.6 | -79.7 | -13.9 | 0 | 0 | 0 | 111.7 | E587 Q594 Y595 | E587-D591 PolarHBondContact O-N 3.22Å; D591-Q594 PolarHBondContact O-N 2.73Å; D591-Y595 VanDerWaalsContact O-CB 3.32Å; D591-Y595 WeakPolarHBondContact O-CB 3.23Å; D591-Y595 PolarHBondContact O-N 2.91Å |
| 592 | R | 80.8 | Confident | 74.2 | Confident | 153 Ų | 153 | 106.6 Ų | 106.6 | 58% | 0.577 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 175.2 | -171.3 | 72.9 | 173.1 | 165.2 | 1.6 | 111.3 | Q588 L589 L596 | Q588-R592 WeakPolarHBondContact O-CB 3.48Å; Q588-R592 PolarHBondContact O-N 3.39Å; L589-R592 PolarHBondContact O-N 3.03Å; R592-L596 HydrophobicContact CG-CD1 4.34Å; R592-L596 WeakPolarHBondContact O-CB 3.34Å; R592-L596 WeakPolarHBondContact O-CG 3.1Å; R592-L596 PolarHBondContact O-N 2.74Å |
| 593 | I | 81.5 | Confident | 75.9 | Confident | 80 Ų | 80 | 105.2 Ų | 105.2 | 41% | 0.41 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 174.9 | -73.5 | 165.5 | 0 | 0 | 0 | 109.3 | L589 L590 Y595 L596 V597 | L589-I593 HydrophobicContact CD2-CD1 4.28Å; L589-I593 HydrophobicContact CG-CD1 3.87Å; L589-I593 HydrophobicContact CG-CG1 4.39Å; L589-I593 VanDerWaalsContact O-CB 3.24Å; L589-I593 WeakPolarHBondContact O-CB 3.37Å; L589-I593 WeakPolarHBondContact O-CD1 3.49Å; L589-I593 WeakPolarHBondContact O-CG1 3.19Å; L589-I593 PolarHBondContact O-N 2.92Å; L590-I593 PolarHBondContact O-N 3.22Å; I593-Y595 VanDerWaalsContact C-N 3.35Å; I593-Y595 PolarHBondContact O-N 2.88Å; I593-L596 CarbonylContact O-C 3.58Å; I593-L596 PolarHBondContact O-N 3.44Å; I593-V597 HydrophobicContact CG2-CG2 4.15Å; I593-V597 WeakPolarHBondContact O-CB 3.5Å; I593-V597 WeakPolarHBondContact O-CG2 3.42Å; I593-V597 PolarHBondContact O-N 3.47Å |
| 594 | Q | 83.1 | Confident | 77.4 | Confident | 93 Ų | 93 | 106.4 Ų | 106.4 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 178.6 | -172.5 | 56.3 | 48.3 | 0 | 0 | 110.9 | L590 D591 V597 D598 | L590-Q594 VanDerWaalsContact O-CB 3.23Å; L590-Q594 WeakPolarHBondContact O-CB 3.19Å; L590-Q594 PolarHBondContact O-N 2.81Å; D591-Q594 PolarHBondContact O-N 2.73Å; Q594-V597 WeakPolarHBondContact O-CB 3.39Å; Q594-V597 PolarHBondContact O-N 3.19Å; Q594-D598 PolarHBondContact NE2-OD1 2.91Å; Q594-D598 PolarHBondContact NE2-OD2 2.92Å; Q594-D598 PolarHBondContact O-N 3.21Å |
| 595 | Y | 86.4 | Confident | 78.5 | Confident | 141 Ų | 141 | 106.9 Ų | 106.9 | 55% | 0.553 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -47.9 | 172.6 | -173.5 | -92 | 0 | 0 | 0 | 111.6 | D591 I593 V597 D598 D599 | D591-Y595 VanDerWaalsContact O-CB 3.32Å; D591-Y595 WeakPolarHBondContact O-CB 3.23Å; D591-Y595 PolarHBondContact O-N 2.91Å; I593-Y595 VanDerWaalsContact C-N 3.35Å; I593-Y595 PolarHBondContact O-N 2.88Å; Y595-V597 VanDerWaalsContact C-N 3.3Å; Y595-V597 PolarHBondContact O-N 3.42Å; Y595-D598 PolarHBondContact O-N 3.33Å; Y595-D599 WeakPolarHBondContact O-CB 3.43Å; Y595-D599 PolarHBondContact O-N 3.04Å |
| 596 | L | 85.9 | Confident | 79.6 | Confident | 94 Ų | 94 | 106.7 Ų | 106.7 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -33.2 | 177.1 | -73.1 | 170.7 | 0 | 0 | 0 | 112.7 | R592 I593 Y600 | R592-L596 HydrophobicContact CG-CD1 4.34Å; R592-L596 WeakPolarHBondContact O-CB 3.34Å; R592-L596 WeakPolarHBondContact O-CG 3.1Å; R592-L596 PolarHBondContact O-N 2.74Å; I593-L596 CarbonylContact O-C 3.58Å; I593-L596 PolarHBondContact O-N 3.44Å; L596-Y600 VanDerWaalsContact O-CB 3.23Å; L596-Y600 WeakPolarHBondContact O-CB 3.4Å; L596-Y600 PolarHBondContact O-N 3.23Å |
| 597 | V | 87.6 | Confident | 80.5 | Confident | 57 Ų | 57 | 106.6 Ų | 106.6 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.4 | 163.8 | 0 | 0 | 0 | 0 | 110.2 | I593 Q594 Y595 Y600 K601 | I593-V597 HydrophobicContact CG2-CG2 4.15Å; I593-V597 WeakPolarHBondContact O-CB 3.5Å; I593-V597 WeakPolarHBondContact O-CG2 3.42Å; I593-V597 PolarHBondContact O-N 3.47Å; Q594-V597 WeakPolarHBondContact O-CB 3.39Å; Q594-V597 PolarHBondContact O-N 3.19Å; Y595-V597 VanDerWaalsContact C-N 3.3Å; Y595-V597 PolarHBondContact O-N 3.42Å; V597-Y600 PolarHBondContact O-N 3.18Å; V597-K601 HydrophobicContact CG1-CD 4.48Å; V597-K601 VanDerWaalsContact O-CG 3.29Å; V597-K601 WeakPolarHBondContact O-CG 3.5Å; V597-K601 PolarHBondContact O-N 3.1Å |
| 598 | D | 87.9 | Confident | 81.1 | Confident | 72 Ų | 72 | 105.3 Ų | 105.3 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.4 | -33.7 | 178.4 | -66.6 | -30.4 | 0 | 0 | 0 | 111.8 | Q594 Y595 K601 H602 | Q594-D598 PolarHBondContact NE2-OD1 2.91Å; Q594-D598 PolarHBondContact NE2-OD2 2.92Å; Q594-D598 PolarHBondContact O-N 3.21Å; Y595-D598 PolarHBondContact O-N 3.33Å; D598-K601 PolarHBondContact O-N 3.18Å; D598-K601 IonicContact OD1-NZ 2.72Å; D598-K601 PolarHBondContact OD1-NZ 3.34Å; D598-H602 WeakPolarHBondContact O-CB 3.48Å; D598-H602 PolarHBondContact O-N 3.39Å |
| 599 | D | 85.1 | Confident | 81.4 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 34% | 0.337 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 170.9 | -125.8 | 16.1 | 0 | 0 | 0 | 111.3 | Y595 H602 I603 | Y595-D599 WeakPolarHBondContact O-CB 3.43Å; Y595-D599 PolarHBondContact O-N 3.04Å; D599-H602 PolarHBondContact O-N 2.86Å; D599-I603 WeakPolarHBondContact O-CB 3.36Å; D599-I603 VanDerWaalsContact O-CG1 3.3Å; D599-I603 WeakPolarHBondContact O-CG1 3.49Å; D599-I603 PolarHBondContact O-N 3.32Å |
| 600 | Y | 84.8 | Confident | 81.4 | Confident | 157 Ų | 157 | 105.9 Ų | 105.9 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 173.2 | -179.6 | -100.5 | 0 | 0 | 0 | 111.8 | L596 V597 H602 I603 K604 | L596-Y600 VanDerWaalsContact O-CB 3.23Å; L596-Y600 WeakPolarHBondContact O-CB 3.4Å; L596-Y600 PolarHBondContact O-N 3.23Å; V597-Y600 PolarHBondContact O-N 3.18Å; Y600-H602 VanDerWaalsContact C-N 3.33Å; Y600-I603 PolarHBondContact O-N 3.3Å; Y600-K604 HydrophobicContact CE1-CD 4.48Å; Y600-K604 WeakPolarHBondContact O-CB 3.3Å; Y600-K604 PolarHBondContact O-N 3.47Å |
| 601 | K | 85 | Confident | 81.3 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 172.6 | -74.5 | 173.1 | -163.3 | 156.5 | 0 | 111 | V597 D598 K604 H605 | V597-K601 HydrophobicContact CG1-CD 4.48Å; V597-K601 VanDerWaalsContact O-CG 3.29Å; V597-K601 WeakPolarHBondContact O-CG 3.5Å; V597-K601 PolarHBondContact O-N 3.1Å; D598-K601 PolarHBondContact O-N 3.18Å; D598-K601 IonicContact OD1-NZ 2.72Å; D598-K601 PolarHBondContact OD1-NZ 3.34Å; K601-K604 PolarHBondContact O-N 3.4Å; K601-H605 WeakPolarHBondContact O-CB 3.28Å; K601-H605 PolarHBondContact O-N 3.49Å |
| 602 | H | 84.1 | Confident | 81.3 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 178.5 | -172.4 | 73.7 | 0 | 0 | 0 | 111.8 | D598 D599 Y600 H605 K606 | D598-H602 WeakPolarHBondContact O-CB 3.48Å; D598-H602 PolarHBondContact O-N 3.39Å; D599-H602 PolarHBondContact O-N 2.86Å; Y600-H602 VanDerWaalsContact C-N 3.33Å; H602-H605 PolarHBondContact O-N 3.3Å; H602-K606 WeakPolarHBondContact NE2-CE 3.44Å; H602-K606 PolarHBondContact NE2-NZ 2.94Å; H602-K606 PolarHBondContact O-N 2.95Å |
| 603 | I | 81.5 | Confident | 80.9 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 45% | 0.451 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 174 | -71.6 | 164.5 | 0 | 0 | 0 | 110.6 | D599 Y600 H605 K606 L607 | D599-I603 WeakPolarHBondContact O-CB 3.36Å; D599-I603 VanDerWaalsContact O-CG1 3.3Å; D599-I603 WeakPolarHBondContact O-CG1 3.49Å; D599-I603 PolarHBondContact O-N 3.32Å; Y600-I603 PolarHBondContact O-N 3.3Å; I603-H605 VanDerWaalsContact C-N 3.33Å; I603-H605 PolarHBondContact O-N 2.89Å; I603-K606 WeakPolarHBondContact O-CB 3.45Å; I603-K606 PolarHBondContact O-N 3.4Å; I603-L607 HydrophobicContact CG2-CD1 4.22Å; I603-L607 WeakPolarHBondContact O-CB 3.48Å; I603-L607 PolarHBondContact O-N 2.94Å |
| 604 | K | 83.9 | Confident | 80.4 | Confident | 123 Ų | 123 | 99.1 Ų | 99.1 | 54% | 0.535 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.5 | -174.3 | 177 | 180 | -179 | 0 | 111.3 | Y600 K601 L607 Q608 | Y600-K604 HydrophobicContact CE1-CD 4.48Å; Y600-K604 WeakPolarHBondContact O-CB 3.3Å; Y600-K604 PolarHBondContact O-N 3.47Å; K601-K604 PolarHBondContact O-N 3.4Å; K604-L607 PolarHBondContact O-N 3.07Å; K604-Q608 WeakPolarHBondContact O-CB 3.45Å; K604-Q608 PolarHBondContact O-N 3.24Å |
| 605 | H | 79.1 | Confident | 80 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 175.8 | -132.1 | -76.9 | 0 | 0 | 0 | 111.9 | K601 H602 I603 Q608 M609 | K601-H605 WeakPolarHBondContact O-CB 3.28Å; K601-H605 PolarHBondContact O-N 3.49Å; H602-H605 PolarHBondContact O-N 3.3Å; I603-H605 VanDerWaalsContact C-N 3.33Å; I603-H605 PolarHBondContact O-N 2.89Å; H605-Q608 PolarHBondContact O-N 3.03Å; H605-M609 WeakPolarHBondContact O-CB 3.22Å; H605-M609 WeakPolarHBondContact O-CG 3.47Å; H605-M609 PolarHBondContact O-N 3.5Å |
| 606 | K | 77.5 | Confident | 79.5 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 53% | 0.526 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 172.8 | -84.8 | 175.9 | 167 | 161.7 | 0 | 112.2 | H602 I603 Q608 M609 N610 | H602-K606 WeakPolarHBondContact NE2-CE 3.44Å; H602-K606 PolarHBondContact NE2-NZ 2.94Å; H602-K606 PolarHBondContact O-N 2.95Å; I603-K606 WeakPolarHBondContact O-CB 3.45Å; I603-K606 PolarHBondContact O-N 3.4Å; K606-Q608 VanDerWaalsContact C-N 3.34Å; K606-M609 PolarHBondContact O-N 2.89Å; K606-N610 WeakPolarHBondContact O-CB 3.27Å; K606-N610 PolarHBondContact O-N 3.47Å |
| 607 | L | 76.6 | Confident | 78.9 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.7 | -121.9 | 121 | 0 | 0 | 0 | 111.2 | I603 K604 N610 N611 | I603-L607 HydrophobicContact CG2-CD1 4.22Å; I603-L607 WeakPolarHBondContact O-CB 3.48Å; I603-L607 PolarHBondContact O-N 2.94Å; K604-L607 PolarHBondContact O-N 3.07Å; L607-N610 PolarHBondContact O-N 3.48Å; L607-N611 WeakPolarHBondContact O-CB 3.32Å; L607-N611 VanDerWaalsContact O-CG 3.23Å; L607-N611 PolarHBondContact O-N 2.92Å; L607-N611 PolarHBondContact O-OD1 3.49Å |
| 608 | Q | 77.5 | Confident | 78.1 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 177.2 | -145.5 | 169.8 | 1.5 | 0 | 0 | 111.5 | K604 H605 K606 N611 T612 | K604-Q608 WeakPolarHBondContact O-CB 3.45Å; K604-Q608 PolarHBondContact O-N 3.24Å; H605-Q608 PolarHBondContact O-N 3.03Å; K606-Q608 VanDerWaalsContact C-N 3.34Å; Q608-N611 PolarHBondContact O-N 3.34Å; Q608-T612 PolarHBondContact O-N 2.87Å; Q608-T612 PolarHBondContact O-OG1 3.39Å |
| 609 | M | 74.6 | Confident | 77.5 | Confident | 101 Ų | 101 | 102.7 Ų | 102.7 | 50% | 0.498 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 171.6 | -75.4 | -71.3 | 105.6 | 0 | 0 | 112.1 | H605 K606 N611 T612 I613 | H605-M609 WeakPolarHBondContact O-CB 3.22Å; H605-M609 WeakPolarHBondContact O-CG 3.47Å; H605-M609 PolarHBondContact O-N 3.5Å; K606-M609 PolarHBondContact O-N 2.89Å; M609-N611 PolarHBondContact O-N 3.47Å; M609-T612 WeakPolarHBondContact O-CB 3.25Å; M609-T612 PolarHBondContact O-N 3.12Å; M609-T612 VanDerWaalsContact O-N 3.13Å; M609-I613 VanDerWaalsContact O-CG1 3.29Å; M609-I613 WeakPolarHBondContact O-CG1 3.32Å; M609-I613 PolarHBondContact O-N 2.78Å |
| 610 | N | 72.1 | Confident | 76.9 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 176.4 | -81.8 | -0.6 | 0 | 0 | 0 | 111.9 | K606 L607 T612 I613 E614 | K606-N610 WeakPolarHBondContact O-CB 3.27Å; K606-N610 PolarHBondContact O-N 3.47Å; L607-N610 PolarHBondContact O-N 3.48Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 3.11Å; N610-I613 PolarHBondContact O-N 2.99Å; N610-E614 WeakPolarHBondContact O-CB 3.26Å; N610-E614 PolarHBondContact O-N 3.5Å |
| 611 | N | 74.8 | Confident | 76.3 | Confident | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 173.6 | -70.3 | -10.3 | 0 | 0 | 0 | 111.5 | L607 Q608 M609 E614 D615 | L607-N611 WeakPolarHBondContact O-CB 3.32Å; L607-N611 VanDerWaalsContact O-CG 3.23Å; L607-N611 PolarHBondContact O-N 2.92Å; L607-N611 PolarHBondContact O-OD1 3.49Å; Q608-N611 PolarHBondContact O-N 3.34Å; M609-N611 PolarHBondContact O-N 3.47Å; N611-E614 PolarHBondContact O-N 2.91Å; N611-D615 WeakPolarHBondContact O-CB 3.37Å; N611-D615 PolarHBondContact O-N 3.28Å |
| 612 | T | 76.8 | Confident | 75.8 | Confident | 59 Ų | 59 | 102.2 Ų | 102.2 | 36% | 0.362 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 176.3 | -47.8 | 0 | 0 | 0 | 0 | 111.5 | Q608 M609 N610 D615 Q616 | Q608-T612 PolarHBondContact O-N 2.87Å; Q608-T612 PolarHBondContact O-OG1 3.39Å; M609-T612 WeakPolarHBondContact O-CB 3.25Å; M609-T612 PolarHBondContact O-N 3.12Å; M609-T612 VanDerWaalsContact O-N 3.13Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 3.11Å; T612-D615 PolarHBondContact O-N 2.86Å; T612-Q616 WeakPolarHBondContact O-CB 3.44Å; T612-Q616 VanDerWaalsContact O-CG 3.29Å; T612-Q616 WeakPolarHBondContact O-CG 3.42Å; T612-Q616 PolarHBondContact O-N 3.28Å |
| 613 | I | 74 | Confident | 75.3 | Confident | 82 Ų | 82 | 105 Ų | 105 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 174.3 | -67.8 | 164.7 | 0 | 0 | 0 | 110.1 | M609 N610 D615 Q616 I617 | M609-I613 VanDerWaalsContact O-CG1 3.29Å; M609-I613 WeakPolarHBondContact O-CG1 3.32Å; M609-I613 PolarHBondContact O-N 2.78Å; N610-I613 PolarHBondContact O-N 2.99Å; I613-D615 VanDerWaalsContact C-N 3.34Å; I613-D615 PolarHBondContact O-N 3.22Å; I613-Q616 PolarHBondContact O-N 3.45Å; I613-I617 HydrophobicContact CG2-CD1 3.78Å; I613-I617 HydrophobicContact CG2-CG1 4.35Å; I613-I617 VanDerWaalsContact O-CG1 3.28Å; I613-I617 WeakPolarHBondContact O-CG1 3.25Å; I613-I617 PolarHBondContact O-N 3.44Å |
| 614 | E | 71.3 | Confident | 75 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 179 | -148.1 | -170.1 | -130.2 | 0 | 0 | 111.8 | N610 N611 I617 K618 | N610-E614 WeakPolarHBondContact O-CB 3.26Å; N610-E614 PolarHBondContact O-N 3.5Å; N611-E614 PolarHBondContact O-N 2.91Å; E614-I617 PolarHBondContact O-N 2.72Å; E614-K618 WeakPolarHBondContact O-CB 3.39Å; E614-K618 VanDerWaalsContact O-CG 3.26Å; E614-K618 WeakPolarHBondContact O-CG 3.38Å; E614-K618 PolarHBondContact O-N 3.29Å; E614-K618 IonicContact OE2-NZ 2.65Å; E614-K618 PolarHBondContact OE2-NZ 3.34Å |
| 615 | D | 74 | Confident | 74.4 | Confident | 95 Ų | 95 | 104.4 Ų | 104.4 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 172.9 | -73.9 | -20.7 | 0 | 0 | 0 | 112 | N611 T612 I613 K618 Q619 | N611-D615 WeakPolarHBondContact O-CB 3.37Å; N611-D615 PolarHBondContact O-N 3.28Å; T612-D615 PolarHBondContact O-N 2.86Å; I613-D615 VanDerWaalsContact C-N 3.34Å; I613-D615 PolarHBondContact O-N 3.22Å; D615-K618 PolarHBondContact O-N 2.91Å; D615-Q619 VanDerWaalsContact O-CB 3.31Å; D615-Q619 WeakPolarHBondContact O-CB 3.47Å; D615-Q619 PolarHBondContact O-N 3.42Å |
| 616 | Q | 74.7 | Confident | 74.2 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 172.4 | -77.4 | 175.9 | 7.2 | 0 | 0 | 111.6 | T612 I613 K618 Q619 E620 | T612-Q616 WeakPolarHBondContact O-CB 3.44Å; T612-Q616 VanDerWaalsContact O-CG 3.29Å; T612-Q616 WeakPolarHBondContact O-CG 3.42Å; T612-Q616 PolarHBondContact O-N 3.28Å; I613-Q616 PolarHBondContact O-N 3.45Å; Q616-K618 PolarHBondContact O-N 2.85Å; Q616-Q619 CarbonylContact O-C 3.57Å; Q616-Q619 PolarHBondContact O-N 3.42Å; Q616-Q619 VanDerWaalsContact O-N 3.15Å; Q616-E620 WeakPolarHBondContact O-CB 3.49Å; Q616-E620 PolarHBondContact O-N 2.86Å |
| 617 | I | 73.3 | Confident | 74.1 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.4 | -69.1 | 167.3 | 0 | 0 | 0 | 110.6 | I613 E614 Q619 E620 N621 | I613-I617 HydrophobicContact CG2-CD1 3.78Å; I613-I617 HydrophobicContact CG2-CG1 4.35Å; I613-I617 VanDerWaalsContact O-CG1 3.28Å; I613-I617 WeakPolarHBondContact O-CG1 3.25Å; I613-I617 PolarHBondContact O-N 3.44Å; E614-I617 PolarHBondContact O-N 2.72Å; I617-Q619 VanDerWaalsContact C-N 3.27Å; I617-Q619 PolarHBondContact O-N 3.41Å; I617-E620 PolarHBondContact O-N 2.88Å; I617-N621 VanDerWaalsContact O-CB 3.27Å; I617-N621 WeakPolarHBondContact O-CB 3.42Å; I617-N621 PolarHBondContact O-N 3.26Å; I617-N621 PolarHBondContact O-ND2 2.84Å |
| 618 | K | 71 | Confident | 74.1 | Confident | 113 Ų | 113 | 98.2 Ų | 98.2 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 175 | -74.5 | 168 | -166.6 | 156.1 | 0 | 111.6 | E614 D615 Q616 K622 | E614-K618 WeakPolarHBondContact O-CB 3.39Å; E614-K618 VanDerWaalsContact O-CG 3.26Å; E614-K618 WeakPolarHBondContact O-CG 3.38Å; E614-K618 PolarHBondContact O-N 3.29Å; E614-K618 IonicContact OE2-NZ 2.65Å; E614-K618 PolarHBondContact OE2-NZ 3.34Å; D615-K618 PolarHBondContact O-N 2.91Å; Q616-K618 PolarHBondContact O-N 2.85Å; K618-K622 WeakPolarHBondContact O-CB 3.43Å; K618-K622 PolarHBondContact O-N 3.3Å; K618-K622 VanDerWaalsContact O-N 3.07Å |
| 619 | Q | 75 | Confident | 74 | Confident | 124 Ų | 124 | 93.1 Ų | 93.1 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -77.8 | -34 | -179.8 | -163.1 | 157.6 | 14.7 | 0 | 0 | 112.9 | D615 Q616 I617 K622 K623 | D615-Q619 VanDerWaalsContact O-CB 3.31Å; D615-Q619 WeakPolarHBondContact O-CB 3.47Å; D615-Q619 PolarHBondContact O-N 3.42Å; Q616-Q619 CarbonylContact O-C 3.57Å; Q616-Q619 PolarHBondContact O-N 3.42Å; Q616-Q619 VanDerWaalsContact O-N 3.15Å; I617-Q619 VanDerWaalsContact C-N 3.27Å; I617-Q619 PolarHBondContact O-N 3.41Å; Q619-K622 PolarHBondContact O-N 2.95Å; Q619-K623 WeakPolarHBondContact O-CG 3.2Å; Q619-K623 PolarHBondContact O-N 3.2Å |
| 620 | E | 74 | Confident | 74 | Confident | 116 Ų | 116 | 94.5 Ų | 94.5 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -47.5 | 173.3 | -166.1 | 164.7 | -147.1 | 0 | 0 | 110.7 | Q616 I617 K622 K623 E624 | Q616-E620 WeakPolarHBondContact O-CB 3.49Å; Q616-E620 PolarHBondContact O-N 2.86Å; I617-E620 PolarHBondContact O-N 2.88Å; E620-K622 PolarHBondContact O-N 2.91Å; E620-K623 WeakPolarHBondContact O-CA 3.45Å; E620-K623 WeakPolarHBondContact O-CB 3.21Å; E620-K623 PolarHBondContact O-N 2.89Å; E620-E624 PolarHBondContact O-N 2.95Å |
| 621 | N | 72.5 | Confident | 74.2 | Confident | 90 Ų | 90 | 93.8 Ų | 93.8 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.5 | -36.3 | 171.8 | -72 | -19.2 | 0 | 0 | 0 | 112 | I617 L625 | I617-N621 VanDerWaalsContact O-CB 3.27Å; I617-N621 WeakPolarHBondContact O-CB 3.42Å; I617-N621 PolarHBondContact O-N 3.26Å; I617-N621 PolarHBondContact O-ND2 2.84Å; N621-L625 VanDerWaalsContact O-CB 3.23Å; N621-L625 WeakPolarHBondContact O-CB 3.5Å; N621-L625 PolarHBondContact O-N 3.37Å |
| 622 | K | 73.4 | Confident | 74.3 | Confident | 115 Ų | 115 | 93 Ų | 93 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 174 | -171.7 | 178.5 | 179.5 | -179.4 | 0 | 111.9 | K618 Q619 E620 D626 I667 | K618-K622 WeakPolarHBondContact O-CB 3.43Å; K618-K622 PolarHBondContact O-N 3.3Å; K618-K622 VanDerWaalsContact O-N 3.07Å; Q619-K622 PolarHBondContact O-N 2.95Å; E620-K622 PolarHBondContact O-N 2.91Å; K622-D626 WeakPolarHBondContact O-CB 3.42Å; K622-D626 PolarHBondContact O-N 2.99Å; K622-I667 HydrophobicContact CG-CD1 4.37Å |
| 623 | K | 74.5 | Confident | 74 | Confident | 155 Ų | 155 | 93.9 Ų | 93.9 | 67% | 0.674 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.1 | -45.3 | 176.3 | -76.5 | -176.6 | -178.4 | 179.1 | 0 | 112.3 | Q619 E620 L625 D626 G627 | Q619-K623 WeakPolarHBondContact O-CG 3.2Å; Q619-K623 PolarHBondContact O-N 3.2Å; E620-K623 WeakPolarHBondContact O-CA 3.45Å; E620-K623 WeakPolarHBondContact O-CB 3.21Å; E620-K623 PolarHBondContact O-N 2.89Å; K623-L625 VanDerWaalsContact C-N 3.28Å; K623-L625 PolarHBondContact O-N 3.03Å; K623-D626 PolarHBondContact O-N 3.42Å; K623-G627 PolarHBondContact O-N 3.17Å |
| 624 | E | 74.8 | Confident | 73.9 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 62% | 0.621 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 176.9 | -71.8 | -170.2 | 163.4 | 0 | 0 | 111.2 | E620 G627 F628 | E620-E624 PolarHBondContact O-N 2.95Å; E624-G627 PolarHBondContact O-N 2.88Å; E624-F628 PolarHBondContact O-N 3.47Å |
| 625 | L | 71.7 | Confident | 73.7 | Confident | 64 Ų | 64 | 92.6 Ų | 92.6 | 34% | 0.335 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -74.4 | -38.4 | 179 | -170.2 | 56.5 | 0 | 0 | 0 | 113.3 | N621 K623 G627 F628 I629 I667 | N621-L625 VanDerWaalsContact O-CB 3.23Å; N621-L625 WeakPolarHBondContact O-CB 3.5Å; N621-L625 PolarHBondContact O-N 3.37Å; K623-L625 VanDerWaalsContact C-N 3.28Å; K623-L625 PolarHBondContact O-N 3.03Å; L625-G627 VanDerWaalsContact C-N 3.27Å; L625-G627 PolarHBondContact O-N 3.14Å; L625-F628 HydrophobicContact CD1-CB 4.46Å; L625-F628 HydrophobicContact CD1-CD1 4.43Å; L625-F628 PolarHBondContact O-N 3.28Å; L625-I629 VanDerWaalsContact O-CG1 3.31Å; L625-I629 WeakPolarHBondContact O-CG1 3.24Å; L625-I629 PolarHBondContact O-N 3Å; L625-I667 HydrophobicContact CD2-CG2 3.44Å; L625-I667 VanDerWaalsContact CD2-CG2 3.44Å; L625-I667 HydrophobicContact CG-CG2 4.18Å |
| 626 | D | 75.2 | Confident | 73.2 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 169.8 | -95 | -25.5 | 0 | 0 | 0 | 110.7 | K622 K623 I629 H630 R670 | K622-D626 WeakPolarHBondContact O-CB 3.42Å; K622-D626 PolarHBondContact O-N 2.99Å; K623-D626 PolarHBondContact O-N 3.42Å; D626-I629 PolarHBondContact O-N 3.1Å; D626-H630 WeakPolarHBondContact O-CB 3.36Å; D626-H630 PolarHBondContact O-N 3.43Å; D626-R670 IonicContact OD1-CZ 2.79Å; D626-R670 IonicContact OD1-NH1 2.83Å; D626-R670 PolarHBondContact OD1-NH1 3.23Å; D626-R670 VanDerWaalsContact OD1-NH1 3.11Å |
| 627 | G | 75.1 | Confident | 72.8 | Confident | 33 Ų | 33 | 90.7 Ų | 90.7 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K623 E624 L625 I629 H630 V631 | K623-G627 PolarHBondContact O-N 3.17Å; E624-G627 PolarHBondContact O-N 2.88Å; L625-G627 VanDerWaalsContact C-N 3.27Å; L625-G627 PolarHBondContact O-N 3.14Å; G627-I629 PolarHBondContact O-N 2.73Å; G627-H630 PolarHBondContact O-N 3.45Å; G627-V631 WeakPolarHBondContact O-CG2 3.28Å; G627-V631 PolarHBondContact O-N 2.96Å |
| 628 | F | 76.1 | Confident | 72.3 | Confident | 118 Ų | 118 | 92.8 Ų | 92.8 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.3 | -178.1 | -93.7 | 0 | 0 | 0 | 112.1 | E624 L625 H630 V631 Y632 | E624-F628 PolarHBondContact O-N 3.47Å; L625-F628 HydrophobicContact CD1-CB 4.46Å; L625-F628 HydrophobicContact CD1-CD1 4.43Å; L625-F628 PolarHBondContact O-N 3.28Å; F628-H630 VanDerWaalsContact C-N 3.32Å; F628-H630 PolarHBondContact O-N 3.34Å; F628-V631 PolarHBondContact O-N 3.37Å; F628-Y632 VanDerWaalsContact O-CB 3.31Å; F628-Y632 WeakPolarHBondContact O-CB 3.12Å; F628-Y632 PolarHBondContact O-N 3.31Å |
| 629 | I | 74.7 | Confident | 71.5 | Confident | 6 Ų | 6 | 91.2 Ų | 91.2 | 3% | 0.031 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.1 | -71 | 168.3 | 0 | 0 | 0 | 110.5 | L625 D626 G627 Y632 I633 L671 I674 | L625-I629 VanDerWaalsContact O-CG1 3.31Å; L625-I629 WeakPolarHBondContact O-CG1 3.24Å; L625-I629 PolarHBondContact O-N 3Å; D626-I629 PolarHBondContact O-N 3.1Å; G627-I629 PolarHBondContact O-N 2.73Å; I629-Y632 PolarHBondContact O-N 2.67Å; I629-I633 HydrophobicContact CG2-CD1 3.81Å; I629-I633 HydrophobicContact CG2-CG1 4.48Å; I629-I633 VanDerWaalsContact O-CG1 3.28Å; I629-I633 WeakPolarHBondContact O-CG1 3.46Å; I629-I633 PolarHBondContact O-N 2.7Å; I629-L671 HydrophobicContact CD1-CD1 4.27Å; I629-L671 HydrophobicContact CG1-CD1 3.83Å; I629-I674 HydrophobicContact CG2-CD1 3.56Å |
| 630 | H | 75.7 | Confident | 70.6 | Confident | 129 Ų | 129 | 92 Ų | 92 | 60% | 0.597 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.3 | -45.5 | 178.2 | -164 | -62.4 | 0 | 0 | 0 | 111.9 | D626 G627 F628 Y632 I633 E634 | D626-H630 WeakPolarHBondContact O-CB 3.36Å; D626-H630 PolarHBondContact O-N 3.43Å; G627-H630 PolarHBondContact O-N 3.45Å; F628-H630 VanDerWaalsContact C-N 3.32Å; F628-H630 PolarHBondContact O-N 3.34Å; H630-Y632 VanDerWaalsContact C-N 3.32Å; H630-Y632 PolarHBondContact O-N 3.41Å; H630-I633 PolarHBondContact O-N 3.42Å; H630-E634 WeakPolarHBondContact O-CB 3.08Å; H630-E634 PolarHBondContact O-N 2.99Å |
| 631 | V | 76.2 | Confident | 69.6 | Low | 90 Ų | 90 | 93.8 Ų | 93.8 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | G627 F628 E634 A635 | G627-V631 WeakPolarHBondContact O-CG2 3.28Å; G627-V631 PolarHBondContact O-N 2.96Å; F628-V631 PolarHBondContact O-N 3.37Å; V631-E634 PolarHBondContact O-N 3.42Å; V631-A635 VanDerWaalsContact O-CB 3.24Å; V631-A635 WeakPolarHBondContact O-CB 3.32Å; V631-A635 PolarHBondContact O-N 2.78Å |
| 632 | Y | 75.8 | Confident | 68.6 | Low | 66 Ų | 66 | 93.5 Ų | 93.5 | 26% | 0.259 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -49.7 | 175.9 | -175.4 | -93.7 | 0 | 0 | 0 | 111 | F628 I629 H630 E634 A635 Q636 I674 L675 D678 | F628-Y632 VanDerWaalsContact O-CB 3.31Å; F628-Y632 WeakPolarHBondContact O-CB 3.12Å; F628-Y632 PolarHBondContact O-N 3.31Å; I629-Y632 PolarHBondContact O-N 2.67Å; H630-Y632 VanDerWaalsContact C-N 3.32Å; H630-Y632 PolarHBondContact O-N 3.41Å; Y632-E634 VanDerWaalsContact C-N 3.32Å; Y632-E634 PolarHBondContact O-N 3.45Å; Y632-A635 PolarHBondContact O-N 2.81Å; Y632-Q636 HydrophobicContact CD1-CG 4.06Å; Y632-Q636 HydrophobicContact CE1-CG 3.76Å; Y632-Q636 HydrophobicContact CE2-CG 4.44Å; Y632-Q636 VanDerWaalsContact CZ-CD 3.49Å; Y632-Q636 VanDerWaalsContact CZ-NE2 3.34Å; Y632-Q636 WeakPolarHBondContact O-CB 3.36Å; Y632-Q636 WeakPolarHBondContact O-CG 3.44Å; Y632-Q636 PolarHBondContact O-N 3.22Å; Y632-Q636 PolarHBondContact OH-NE2 3.31Å; Y632-I674 HydrophobicContact CD1-CG2 4.34Å; Y632-I674 HydrophobicContact CE1-CG2 4.35Å; Y632-L675 HydrophobicContact CE1-CD2 4.23Å; Y632-L675 WeakPolarHBondContact OH-CD2 3.43Å; Y632-D678 PolarHBondContact OH-OD2 3.38Å |
| 633 | I | 71.7 | Confident | 67.7 | Low | 77 Ų | 77 | 91.6 Ų | 91.6 | 40% | 0.395 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 177.4 | -68.6 | 168 | 0 | 0 | 0 | 110.7 | I629 H630 Q636 Q637 I674 | I629-I633 HydrophobicContact CG2-CD1 3.81Å; I629-I633 HydrophobicContact CG2-CG1 4.48Å; I629-I633 VanDerWaalsContact O-CG1 3.28Å; I629-I633 WeakPolarHBondContact O-CG1 3.46Å; I629-I633 PolarHBondContact O-N 2.7Å; H630-I633 PolarHBondContact O-N 3.42Å; I633-Q636 PolarHBondContact O-N 3.38Å; I633-Q637 PolarHBondContact O-N 2.9Å; I633-I674 HydrophobicContact CD1-CD1 4.34Å; I633-I674 HydrophobicContact CG1-CG2 4.49Å |
| 634 | E | 71 | Confident | 66.7 | Low | 109 Ų | 109 | 90.9 Ų | 90.9 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 178.9 | -172.9 | 177.1 | -175.3 | 0 | 0 | 112.3 | H630 V631 Y632 Q636 Q637 N638 | H630-E634 WeakPolarHBondContact O-CB 3.08Å; H630-E634 PolarHBondContact O-N 2.99Å; V631-E634 PolarHBondContact O-N 3.42Å; Y632-E634 VanDerWaalsContact C-N 3.32Å; Y632-E634 PolarHBondContact O-N 3.45Å; E634-Q636 VanDerWaalsContact C-N 3.26Å; E634-Q636 PolarHBondContact O-N 3.32Å; E634-Q637 PolarHBondContact O-N 3.16Å; E634-N638 PolarHBondContact O-N 2.73Å; E634-N638 VanDerWaalsContact O-N 3.13Å |
| 635 | A | 66.4 | Low | 65.8 | Low | 48 Ų | 48 | 92.1 Ų | 92.1 | 40% | 0.397 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V631 Y632 N638 M639 | V631-A635 VanDerWaalsContact O-CB 3.24Å; V631-A635 WeakPolarHBondContact O-CB 3.32Å; V631-A635 PolarHBondContact O-N 2.78Å; Y632-A635 PolarHBondContact O-N 2.81Å; A635-N638 PolarHBondContact O-N 2.89Å; A635-M639 VanDerWaalsContact O-CG 3.31Å; A635-M639 WeakPolarHBondContact O-CG 3.42Å; A635-M639 PolarHBondContact O-N 3.5Å; A635-M639 VanDerWaalsContact O-N 3.08Å |
| 636 | Q | 64.6 | Low | 65.1 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 22% | 0.22 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -72.1 | -38.1 | 177.6 | -70.5 | -138.7 | -45.9 | 0 | 0 | 113.3 | Y632 I633 E634 N638 M639 K640 D678 | Y632-Q636 HydrophobicContact CD1-CG 4.06Å; Y632-Q636 HydrophobicContact CE1-CG 3.76Å; Y632-Q636 HydrophobicContact CE2-CG 4.44Å; Y632-Q636 VanDerWaalsContact CZ-CD 3.49Å; Y632-Q636 VanDerWaalsContact CZ-NE2 3.34Å; Y632-Q636 WeakPolarHBondContact O-CB 3.36Å; Y632-Q636 WeakPolarHBondContact O-CG 3.44Å; Y632-Q636 PolarHBondContact O-N 3.22Å; Y632-Q636 PolarHBondContact OH-NE2 3.31Å; I633-Q636 PolarHBondContact O-N 3.38Å; E634-Q636 VanDerWaalsContact C-N 3.26Å; E634-Q636 PolarHBondContact O-N 3.32Å; Q636-N638 PolarHBondContact O-N 2.86Å; Q636-M639 PolarHBondContact O-N 3.12Å; Q636-K640 PolarHBondContact O-N 3.43Å; Q636-D678 PolarHBondContact NE2-OD1 2.82Å; Q636-D678 PolarHBondContact NE2-OD2 2.99Å; Q636-D678 PolarHBondContact OE1-OD1 3.07Å; Q636-D678 PolarHBondContact OE1-OD2 2.66Å |
| 637 | Q | 66.3 | Low | 64.7 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57 | -37.1 | 172.2 | -148.6 | 79.8 | 4.9 | 0 | 0 | 110.7 | I633 E634 | I633-Q637 PolarHBondContact O-N 2.9Å; E634-Q637 PolarHBondContact O-N 3.16Å |
| 638 | N | 61.9 | Low | 64.5 | Low | 127 Ų | 127 | 93.7 Ų | 93.7 | 68% | 0.679 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -76.4 | -21 | 175.5 | -71.3 | -18.6 | 0 | 0 | 0 | 114.1 | E634 A635 Q636 | E634-N638 PolarHBondContact O-N 2.73Å; E634-N638 VanDerWaalsContact O-N 3.13Å; A635-N638 PolarHBondContact O-N 2.89Å; Q636-N638 PolarHBondContact O-N 2.86Å |
| 639 | M | 55.2 | Low | 64.3 | Low | 81 Ų | 81 | 93.7 Ų | 93.7 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -95.1 | -1.1 | -179.7 | -71.2 | -156.8 | 83.4 | 0 | 0 | 114.4 | A635 Q636 D641 T642 R644 | A635-M639 VanDerWaalsContact O-CG 3.31Å; A635-M639 WeakPolarHBondContact O-CG 3.42Å; A635-M639 PolarHBondContact O-N 3.5Å; A635-M639 VanDerWaalsContact O-N 3.08Å; Q636-M639 PolarHBondContact O-N 3.12Å; M639-D641 PolarHBondContact O-N 2.92Å; M639-T642 PolarHBondContact O-N 2.96Å; M639-R644 PolarHBondContact SD-NH2 3.33Å |
| 640 | K | 55.8 | Low | 64.3 | Low | 139 Ų | 139 | 100.9 Ų | 100.9 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.3 | -176.2 | -120.3 | 175.8 | -179.1 | 174 | 0 | 114.3 | Q636 | Q636-K640 PolarHBondContact O-N 3.43Š|
| 641 | D | 53.9 | Low | 64.2 | Low | 154 Ų | 154 | 94.8 Ų | 94.8 | 82% | 0.824 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1 | -179.3 | -61.2 | -30.2 | 0 | 0 | 0 | 114.4 | M639 P643 | M639-D641 PolarHBondContact O-N 2.92Å; D641-P643 VanDerWaalsContact O-CD 3.29Å; D641-P643 WeakPolarHBondContact O-CD 3.49Å |
| 642 | T | 51.2 | Low | 64.3 | Low | 84 Ų | 84 | 95.5 Ų | 95.5 | 52% | 0.515 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -101.3 | 104.2 | -179.8 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | M639 R644 | M639-T642 PolarHBondContact O-N 2.96Å; T642-R644 PolarHBondContact O-N 2.9Å |
| 643 | P | 53.3 | Low | 64.4 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 49% | 0.494 | 48% | 0.476 | S | S | . | . | trans | -67.8 | 105.2 | -179.1 | 26.5 | -32.5 | 0 | 0 | 0 | 110.1 | D641 F645 L689 | D641-P643 VanDerWaalsContact O-CD 3.29Å; D641-P643 WeakPolarHBondContact O-CD 3.49Å; P643-F645 HydrophobicContact CB-CE2 4.34Å; P643-F645 HydrophobicContact CG-CE2 4.31Å; P643-F645 WeakPolarHBondContact O-CD2 3.27Å; P643-F645 PolarHBondContact O-N 3.27Å; P643-L689 HydrophobicContact CB-CD1 4.34Å | ||
| 644 | R | 55 | Low | 64.7 | Low | 139 Ų | 139 | 95.9 Ų | 95.9 | 53% | 0.525 | 47% | 0.469 | S | S | . | . | trans | -88.5 | 91.9 | 175.7 | -143.6 | -176.4 | -72.1 | -138.7 | 7.4 | 108.2 | M639 T642 R646 | M639-R644 PolarHBondContact SD-NH2 3.33Å; T642-R644 PolarHBondContact O-N 2.9Å; R644-R646 PolarHBondContact O-N 3.4Å | ||
| 645 | F | 54.7 | Low | 65.1 | Low | 160 Ų | 160 | 91.8 Ų | 91.8 | 70% | 0.702 | 45% | 0.451 | S | S | * | . | trans | -56.8 | 98.2 | -178.2 | -69 | -87.5 | 0 | 0 | 0 | 112 | P643 | P643-F645 HydrophobicContact CB-CE2 4.34Å; P643-F645 HydrophobicContact CG-CE2 4.31Å; P643-F645 WeakPolarHBondContact O-CD2 3.27Å; P643-F645 PolarHBondContact O-N 3.27Å | ||
| 646 | R | 58.5 | Low | 65.7 | Low | 109 Ų | 109 | 96.4 Ų | 96.4 | 41% | 0.411 | 46% | 0.464 | S | S | . | . | trans | -128 | 134.1 | 163.6 | -70.1 | -174.5 | 177.9 | 178.5 | 0.8 | 106.5 | R644 S648 L651 Q686 | R644-R646 PolarHBondContact O-N 3.4Å; R646-S648 PolarHBondContact O-N 2.9Å; R646-L651 HydrophobicContact CB-CD1 3.95Å; R646-L651 HydrophobicContact CB-CG 3.99Å; R646-Q686 WeakPolarHBondContact O-CG 3.31Å | ||
| 647 | S | 66.5 | Low | 66.3 | Low | 66 Ų | 66 | 100.3 Ų | 100.3 | 46% | 0.462 | 49% | 0.486 | S | S | . | . | trans | -51.4 | 134.1 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | L649 R650 L651 | S647-L649 PolarHBondContact O-N 3.25Å; S647-R650 PolarHBondContact O-N 2.96Å; S647-R650 WeakPolarHBondContact OG-CB 3.39Å; S647-L651 PolarHBondContact O-N 3.36Å | ||
| 648 | S | 69.5 | Low | 66.6 | Low | 18 Ų | 18 | 96.9 Ų | 96.9 | 13% | 0.126 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -49.4 | -35.7 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | R646 R650 L651 K652 E690 | R646-S648 PolarHBondContact O-N 2.9Å; S648-R650 PolarHBondContact O-N 3.41Å; S648-L651 PolarHBondContact O-N 3.41Å; S648-K652 WeakPolarHBondContact O-CG 3.24Å; S648-K652 PolarHBondContact O-N 3.15Å; S648-E690 PolarHBondContact OG-OE1 2.89Å; S648-E690 PolarHBondContact OG-OE2 3.03Å; S648-E690 VanDerWaalsContact OG-OE2 3.05Å |
| 649 | L | 72.7 | Confident | 67.3 | Low | 117 Ų | 117 | 93.4 Ų | 93.4 | 61% | 0.613 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 176.1 | -170.4 | 67.8 | 0 | 0 | 0 | 113.9 | S647 K652 Q653 | S647-L649 PolarHBondContact O-N 3.25Å; L649-K652 PolarHBondContact O-N 3.05Å; L649-Q653 WeakPolarHBondContact O-CG 3.43Å; L649-Q653 PolarHBondContact O-N 2.93Å |
| 650 | R | 73.6 | Confident | 68.4 | Low | 157 Ų | 157 | 93.5 Ų | 93.5 | 59% | 0.592 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.5 | -35.9 | -178 | -171.9 | 174.4 | -178.9 | 161.5 | 1 | 111.7 | S647 S648 N654 | S647-R650 PolarHBondContact O-N 2.96Å; S647-R650 WeakPolarHBondContact OG-CB 3.39Å; S648-R650 PolarHBondContact O-N 3.41Å; R650-N654 PolarHBondContact O-N 2.98Å; R650-N654 VanDerWaalsContact O-N 3.16Å; R650-N654 PolarHBondContact O-ND2 2.94Å |
| 651 | L | 74.4 | Confident | 69.3 | Low | 1 Ų | 1 | 93.7 Ų | 93.7 | 1% | 0.005 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 173.7 | -77.9 | 158 | 0 | 0 | 0 | 110.8 | R646 S647 S648 Q653 N654 I655 L679 Q682 V683 | R646-L651 HydrophobicContact CB-CD1 3.95Å; R646-L651 HydrophobicContact CB-CG 3.99Å; S647-L651 PolarHBondContact O-N 3.36Å; S648-L651 PolarHBondContact O-N 3.41Å; L651-Q653 PolarHBondContact O-N 2.94Å; L651-N654 PolarHBondContact O-N 3.36Å; L651-N654 VanDerWaalsContact O-N 3.15Å; L651-I655 WeakPolarHBondContact O-CG1 3.49Å; L651-I655 PolarHBondContact O-N 3.16Å; L651-L679 HydrophobicContact CD2-CD2 3.71Å; L651-Q682 HydrophobicContact CD1-CB 4.13Å; L651-Q682 HydrophobicContact CD2-CB 4.01Å; L651-V683 HydrophobicContact CB-CG2 3.39Å; L651-V683 HydrophobicContact CD1-CG2 4.38Å; L651-V683 HydrophobicContact CG-CG2 4.43Å |
| 652 | K | 79.5 | Confident | 70.4 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 174.1 | -77.9 | 178.3 | 178.3 | 172.2 | 0 | 112.8 | S648 L649 N654 I655 E656 V683 | S648-K652 WeakPolarHBondContact O-CG 3.24Å; S648-K652 PolarHBondContact O-N 3.15Å; L649-K652 PolarHBondContact O-N 3.05Å; K652-N654 VanDerWaalsContact C-N 3.34Å; K652-N654 PolarHBondContact O-N 3.38Å; K652-I655 WeakPolarHBondContact O-CB 3.49Å; K652-I655 PolarHBondContact O-N 2.83Å; K652-E656 PolarHBondContact O-N 3.22Å; K652-E656 VanDerWaalsContact O-N 3.07Å; K652-V683 HydrophobicContact CG-CG1 4.13Å; K652-V683 HydrophobicContact CG-CG2 4.11Å |
| 653 | Q | 77.5 | Confident | 71.4 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 49% | 0.486 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.4 | -75.9 | 175.8 | -22 | 0 | 0 | 113 | L649 L651 E656 L657 | L649-Q653 WeakPolarHBondContact O-CG 3.43Å; L649-Q653 PolarHBondContact O-N 2.93Å; L651-Q653 PolarHBondContact O-N 2.94Å; Q653-E656 WeakPolarHBondContact O-CB 3.26Å; Q653-E656 PolarHBondContact O-N 3.06Å; Q653-L657 WeakPolarHBondContact O-CG 3.36Å; Q653-L657 PolarHBondContact O-N 2.97Å |
| 654 | N | 77 | Confident | 72.3 | Confident | 48 Ų | 48 | 90.1 Ų | 90.1 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 177.2 | -69.1 | -27 | 0 | 0 | 0 | 112.2 | R650 L651 K652 E656 L657 L658 L679 | R650-N654 PolarHBondContact O-N 2.98Å; R650-N654 VanDerWaalsContact O-N 3.16Å; R650-N654 PolarHBondContact O-ND2 2.94Å; L651-N654 PolarHBondContact O-N 3.36Å; L651-N654 VanDerWaalsContact O-N 3.15Å; K652-N654 VanDerWaalsContact C-N 3.34Å; K652-N654 PolarHBondContact O-N 3.38Å; N654-E656 VanDerWaalsContact C-N 3.33Å; N654-L657 PolarHBondContact O-N 3.45Å; N654-L658 WeakPolarHBondContact O-CB 3.4Å; N654-L658 PolarHBondContact O-N 2.93Å; N654-L679 HydrophobicContact CB-CD1 4.23Å |
| 655 | I | 79.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 85.9 Ų | 85.9 | 12% | 0.118 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 173.8 | -68.8 | 172.2 | 0 | 0 | 0 | 109.9 | L651 K652 L657 L658 A659 L676 L679 Q680 V683 | L651-I655 WeakPolarHBondContact O-CG1 3.49Å; L651-I655 PolarHBondContact O-N 3.16Å; K652-I655 WeakPolarHBondContact O-CB 3.49Å; K652-I655 PolarHBondContact O-N 2.83Å; I655-L657 PolarHBondContact O-N 3.45Å; I655-L658 PolarHBondContact O-N 3.32Å; I655-A659 VanDerWaalsContact O-CB 3.28Å; I655-A659 WeakPolarHBondContact O-CB 3.42Å; I655-A659 PolarHBondContact O-N 2.93Å; I655-L676 HydrophobicContact CB-CD1 4.17Å; I655-L676 HydrophobicContact CG2-CD1 3.56Å; I655-L676 HydrophobicContact CG2-CG 4.25Å; I655-L676 WeakPolarHBondContact O-CD1 3.46Å; I655-L679 HydrophobicContact CD1-CB 3.94Å; I655-L679 HydrophobicContact CG1-CB 3.49Å; I655-L679 VanDerWaalsContact CG1-CB 3.49Å; I655-L679 HydrophobicContact CG1-CD1 4.2Å; I655-L679 HydrophobicContact CG1-CG 4.49Å; I655-Q680 HydrophobicContact CD1-CB 4.26Å; I655-V683 HydrophobicContact CD1-CG2 3.86Å |
| 656 | E | 80.2 | Confident | 74 | Confident | 144 Ų | 144 | 84 Ų | 84 | 67% | 0.673 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.3 | -46.3 | 177.5 | -118.4 | 173.7 | 179.4 | 0 | 0 | 112.2 | K652 Q653 N654 A659 A660 | K652-E656 PolarHBondContact O-N 3.22Å; K652-E656 VanDerWaalsContact O-N 3.07Å; Q653-E656 WeakPolarHBondContact O-CB 3.26Å; Q653-E656 PolarHBondContact O-N 3.06Å; N654-E656 VanDerWaalsContact C-N 3.33Å; E656-A659 PolarHBondContact O-N 3.47Å; E656-A660 WeakPolarHBondContact O-CB 3.46Å; E656-A660 PolarHBondContact O-N 3.3Å |
| 657 | L | 76.3 | Confident | 74.4 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 68% | 0.675 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 177.6 | -73.4 | 171.3 | 0 | 0 | 0 | 112.4 | Q653 N654 I655 | Q653-L657 WeakPolarHBondContact O-CG 3.36Å; Q653-L657 PolarHBondContact O-N 2.97Å; N654-L657 PolarHBondContact O-N 3.45Å; I655-L657 PolarHBondContact O-N 3.45Å |
| 658 | L | 72.7 | Confident | 74.6 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 28% | 0.277 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 176.9 | -91.6 | 152 | 0 | 0 | 0 | 111.5 | N654 I655 A660 Y661 Q672 L675 L676 L679 | N654-L658 WeakPolarHBondContact O-CB 3.4Å; N654-L658 PolarHBondContact O-N 2.93Å; I655-L658 PolarHBondContact O-N 3.32Å; L658-A660 VanDerWaalsContact C-N 3.32Å; L658-A660 PolarHBondContact O-N 3.45Å; L658-Y661 PolarHBondContact O-N 2.95Å; L658-Q672 PolarHBondContact O-NE2 2.87Å; L658-L675 HydrophobicContact CD2-CD1 4.46Å; L658-L676 HydrophobicContact CB-CD1 4.15Å; L658-L679 HydrophobicContact CD1-CD1 3.32Å |
| 659 | A | 76.7 | Confident | 74.9 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 45% | 0.446 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.1 | -29.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I655 E656 Y661 L676 | I655-A659 VanDerWaalsContact O-CB 3.28Å; I655-A659 WeakPolarHBondContact O-CB 3.42Å; I655-A659 PolarHBondContact O-N 2.93Å; E656-A659 PolarHBondContact O-N 3.47Å; A659-Y661 VanDerWaalsContact C-N 3.28Å; A659-Y661 PolarHBondContact O-N 3.4Å; A659-L676 HydrophobicContact CB-CD1 4.19Å; A659-L676 HydrophobicContact CB-CD2 4.48Å |
| 660 | A | 78.3 | Confident | 75 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 69% | 0.686 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.5 | -21.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E656 L658 | E656-A660 WeakPolarHBondContact O-CB 3.46Å; E656-A660 PolarHBondContact O-N 3.3Å; L658-A660 VanDerWaalsContact C-N 3.32Å; L658-A660 PolarHBondContact O-N 3.45Å |
| 661 | Y | 74.8 | Confident | 75 | Confident | 144 Ų | 144 | 80.2 Ų | 80.2 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | trans | -79.6 | 130.4 | 179.4 | -175.1 | -114.1 | 0 | 0 | 0 | 111 | L658 A659 P663 Q672 | L658-Y661 PolarHBondContact O-N 2.95Å; A659-Y661 VanDerWaalsContact C-N 3.28Å; A659-Y661 PolarHBondContact O-N 3.4Å; Y661-P663 HydrophobicContact CD1-CB 4.45Å; Y661-P663 HydrophobicContact CD1-CG 3.81Å; Y661-P663 HydrophobicContact CE1-CB 3.96Å; Y661-P663 HydrophobicContact CE1-CG 3.79Å; Y661-P663 WeakPolarHBondContact O-CD 3.37Å; Y661-Q672 PolarHBondContact O-NE2 2.98Å | ||
| 662 | V | 76.6 | Confident | 75.3 | Confident | 125 Ų | 125 | 81.7 Ų | 81.7 | 76% | 0.758 | 44% | 0.436 | S | S | * | . | trans | -112.2 | 99.4 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 663 | P | 72.4 | Confident | 75.3 | Confident | 4 Ų | 4 | 84.3 Ų | 84.3 | 3% | 0.026 | 44% | 0.443 | C | S | . | . | trans | -72.7 | 139.1 | -178.6 | -8.6 | 20.5 | 0 | 0 | 0 | 112.7 | Y661 L668 K669 Q672 | Y661-P663 HydrophobicContact CD1-CB 4.45Å; Y661-P663 HydrophobicContact CD1-CG 3.81Å; Y661-P663 HydrophobicContact CE1-CB 3.96Å; Y661-P663 HydrophobicContact CE1-CG 3.79Å; Y661-P663 WeakPolarHBondContact O-CD 3.37Å; P663-L668 HydrophobicContact CB-CB 3.4Å; P663-L668 HydrophobicContact CB-CD1 4.29Å; P663-L668 HydrophobicContact CB-CG 4.48Å; P663-L668 HydrophobicContact CG-CB 3.99Å; P663-K669 HydrophobicContact CB-CG 4.24Å; P663-K669 HydrophobicContact CG-CG 4.05Å; P663-K669 VanDerWaalsContact O-CE 3.24Å; P663-K669 WeakPolarHBondContact O-CE 3.24Å; P663-Q672 VanDerWaalsContact CG-OE1 3.26Å | ||
| 664 | A | 72.1 | Confident | 75.5 | Confident | 110 Ų | 110 | 81.1 Ų | 81.1 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -70.3 | -28.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 665 | S | 70.9 | Confident | 75.6 | Confident | 49 Ų | 49 | 81 Ų | 81 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -90.2 | 131.7 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | I667 L668 K669 | S665-I667 PolarHBondContact O-N 2.72Å; S665-I667 VanDerWaalsContact O-N 3.14Å; S665-I667 PolarHBondContact OG-N 3.43Å; S665-L668 PolarHBondContact O-N 3.36Å; S665-L668 VanDerWaalsContact O-N 3.1Å; S665-K669 PolarHBondContact O-N 2.91Å; S665-K669 VanDerWaalsContact O-N 3.13Å |
| 666 | E | 73.4 | Confident | 75.7 | Confident | 122 Ų | 122 | 82.2 Ų | 82.2 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.5 | -26.2 | 176.6 | -158.4 | 57.1 | -152.5 | 0 | 0 | 112.4 | K669 R670 | E666-K669 WeakPolarHBondContact OE2-CD 3.46Å; E666-K669 IonicContact OE2-NZ 3.65Å; E666-K669 PolarHBondContact OE2-NZ 2.66Å; E666-R670 PolarHBondContact O-N 3.46Å |
| 667 | I | 67.4 | Low | 75.8 | Confident | 56 Ų | 56 | 80.5 Ų | 80.5 | 29% | 0.287 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.9 | -40.1 | 178.4 | -58.4 | 157.7 | 0 | 0 | 0 | 111 | K622 L625 S665 K669 R670 L671 | K622-I667 HydrophobicContact CG-CD1 4.37Å; L625-I667 HydrophobicContact CD2-CG2 3.44Å; L625-I667 VanDerWaalsContact CD2-CG2 3.44Å; L625-I667 HydrophobicContact CG-CG2 4.18Å; S665-I667 PolarHBondContact O-N 2.72Å; S665-I667 VanDerWaalsContact O-N 3.14Å; S665-I667 PolarHBondContact OG-N 3.43Å; I667-K669 VanDerWaalsContact C-N 3.28Å; I667-K669 PolarHBondContact O-N 2.91Å; I667-R670 WeakPolarHBondContact O-CB 3.47Å; I667-R670 PolarHBondContact O-N 3.06Å; I667-R670 VanDerWaalsContact O-N 3.12Å; I667-L671 PolarHBondContact O-N 3.23Å |
| 668 | L | 71 | Confident | 75.9 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 42% | 0.419 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 174.1 | -77.8 | 169.3 | 0 | 0 | 0 | 111.4 | P663 S665 R670 L671 Q672 | P663-L668 HydrophobicContact CB-CB 3.4Å; P663-L668 HydrophobicContact CB-CD1 4.29Å; P663-L668 HydrophobicContact CB-CG 4.48Å; P663-L668 HydrophobicContact CG-CB 3.99Å; S665-L668 PolarHBondContact O-N 3.36Å; S665-L668 VanDerWaalsContact O-N 3.1Å; L668-R670 VanDerWaalsContact C-N 3.32Å; L668-R670 PolarHBondContact O-N 3.45Å; L668-L671 PolarHBondContact O-N 2.93Å; L668-Q672 VanDerWaalsContact O-CB 3.24Å; L668-Q672 WeakPolarHBondContact O-CB 3.27Å; L668-Q672 PolarHBondContact O-N 3.46Å |
| 669 | K | 74.8 | Confident | 76.2 | Confident | 71 Ų | 71 | 74 Ų | 74 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 171 | -67.5 | -177.8 | -164.1 | 159 | 0 | 112.2 | P663 S665 E666 I667 R673 | P663-K669 HydrophobicContact CB-CG 4.24Å; P663-K669 HydrophobicContact CG-CG 4.05Å; P663-K669 VanDerWaalsContact O-CE 3.24Å; P663-K669 WeakPolarHBondContact O-CE 3.24Å; S665-K669 PolarHBondContact O-N 2.91Å; S665-K669 VanDerWaalsContact O-N 3.13Å; E666-K669 WeakPolarHBondContact OE2-CD 3.46Å; E666-K669 IonicContact OE2-NZ 3.65Å; E666-K669 PolarHBondContact OE2-NZ 2.66Å; I667-K669 VanDerWaalsContact C-N 3.28Å; I667-K669 PolarHBondContact O-N 2.91Å; K669-R673 PolarHBondContact O-N 3.13Å |
| 670 | R | 76 | Confident | 76.4 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 51% | 0.506 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 176.9 | -170.6 | 171.9 | 176.5 | -157.6 | -3.5 | 111.3 | D626 E666 I667 L668 R673 I674 | D626-R670 IonicContact OD1-CZ 2.79Å; D626-R670 IonicContact OD1-NH1 2.83Å; D626-R670 PolarHBondContact OD1-NH1 3.23Å; D626-R670 VanDerWaalsContact OD1-NH1 3.11Å; E666-R670 PolarHBondContact O-N 3.46Å; I667-R670 WeakPolarHBondContact O-CB 3.47Å; I667-R670 PolarHBondContact O-N 3.06Å; I667-R670 VanDerWaalsContact O-N 3.12Å; L668-R670 VanDerWaalsContact C-N 3.32Å; L668-R670 PolarHBondContact O-N 3.45Å; R670-R673 PolarHBondContact O-N 3.46Å; R670-I674 HydrophobicContact CG-CD1 4.38Å; R670-I674 WeakPolarHBondContact O-CG1 3.32Å; R670-I674 PolarHBondContact O-N 3.35Å |
| 671 | L | 74.3 | Confident | 76.5 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.1 | -165.3 | 85.3 | 0 | 0 | 0 | 111.6 | I629 I667 L668 R673 I674 L675 | I629-L671 HydrophobicContact CD1-CD1 4.27Å; I629-L671 HydrophobicContact CG1-CD1 3.83Å; I667-L671 PolarHBondContact O-N 3.23Å; L668-L671 PolarHBondContact O-N 2.93Å; L671-R673 VanDerWaalsContact C-N 3.33Å; L671-R673 PolarHBondContact O-N 2.86Å; L671-I674 PolarHBondContact O-N 3.41Å; L671-L675 HydrophobicContact CD2-CD1 4.34Å; L671-L675 HydrophobicContact CG-CD1 4.26Å; L671-L675 WeakPolarHBondContact O-CG 3.4Å; L671-L675 PolarHBondContact O-N 2.71Å |
| 672 | Q | 78.7 | Confident | 76.6 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 176.8 | -178.7 | -170.2 | 13.1 | 0 | 0 | 111.9 | L658 Y661 P663 L668 L675 L676 | L658-Q672 PolarHBondContact O-NE2 2.87Å; Y661-Q672 PolarHBondContact O-NE2 2.98Å; P663-Q672 VanDerWaalsContact CG-OE1 3.26Å; L668-Q672 VanDerWaalsContact O-CB 3.24Å; L668-Q672 WeakPolarHBondContact O-CB 3.27Å; L668-Q672 PolarHBondContact O-N 3.46Å; Q672-L675 PolarHBondContact O-N 2.98Å; Q672-L676 WeakPolarHBondContact O-CB 3.45Å; Q672-L676 PolarHBondContact O-N 2.79Å |
| 673 | R | 81.1 | Confident | 76.9 | Confident | 160 Ų | 160 | 64.5 Ų | 64.5 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 178.4 | -162.6 | -178.2 | -54.7 | 167.1 | 5.3 | 112.1 | K669 R670 L671 L676 D677 | K669-R673 PolarHBondContact O-N 3.13Å; R670-R673 PolarHBondContact O-N 3.46Å; L671-R673 VanDerWaalsContact C-N 3.33Å; L671-R673 PolarHBondContact O-N 2.86Å; R673-L676 PolarHBondContact O-N 3.4Å; R673-D677 PolarHBondContact O-N 3.33Å |
| 674 | I | 80.9 | Confident | 77.2 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 177.7 | -65.8 | 166.7 | 0 | 0 | 0 | 110.7 | I629 Y632 I633 R670 L671 L676 D677 D678 | I629-I674 HydrophobicContact CG2-CD1 3.56Å; Y632-I674 HydrophobicContact CD1-CG2 4.34Å; Y632-I674 HydrophobicContact CE1-CG2 4.35Å; I633-I674 HydrophobicContact CD1-CD1 4.34Å; I633-I674 HydrophobicContact CG1-CG2 4.49Å; R670-I674 HydrophobicContact CG-CD1 4.38Å; R670-I674 WeakPolarHBondContact O-CG1 3.32Å; R670-I674 PolarHBondContact O-N 3.35Å; L671-I674 PolarHBondContact O-N 3.41Å; I674-L676 VanDerWaalsContact C-N 3.31Å; I674-L676 PolarHBondContact O-N 3.5Å; I674-D677 PolarHBondContact O-N 2.88Å; I674-D678 PolarHBondContact O-N 3.3Å; I674-D678 VanDerWaalsContact O-N 3.11Å |
| 675 | L | 79.4 | Confident | 77.3 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 177.7 | -70.1 | 171.7 | 0 | 0 | 0 | 112.5 | Y632 L658 L671 Q672 L679 | Y632-L675 HydrophobicContact CE1-CD2 4.23Å; Y632-L675 WeakPolarHBondContact OH-CD2 3.43Å; L658-L675 HydrophobicContact CD2-CD1 4.46Å; L671-L675 HydrophobicContact CD2-CD1 4.34Å; L671-L675 HydrophobicContact CG-CD1 4.26Å; L671-L675 WeakPolarHBondContact O-CG 3.4Å; L671-L675 PolarHBondContact O-N 2.71Å; Q672-L675 PolarHBondContact O-N 2.98Å; L675-L679 WeakPolarHBondContact O-CB 3.39Å; L675-L679 VanDerWaalsContact O-CG 3.31Å; L675-L679 WeakPolarHBondContact O-CG 3.44Å; L675-L679 PolarHBondContact O-N 2.75Å |
| 676 | L | 82.3 | Confident | 77.5 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 178.8 | -158.4 | 72.8 | 0 | 0 | 0 | 111.7 | I655 L658 A659 Q672 R673 I674 Q680 | I655-L676 HydrophobicContact CB-CD1 4.17Å; I655-L676 HydrophobicContact CG2-CD1 3.56Å; I655-L676 HydrophobicContact CG2-CG 4.25Å; I655-L676 WeakPolarHBondContact O-CD1 3.46Å; L658-L676 HydrophobicContact CB-CD1 4.15Å; A659-L676 HydrophobicContact CB-CD1 4.19Å; A659-L676 HydrophobicContact CB-CD2 4.48Å; Q672-L676 WeakPolarHBondContact O-CB 3.45Å; Q672-L676 PolarHBondContact O-N 2.79Å; R673-L676 PolarHBondContact O-N 3.4Å; I674-L676 VanDerWaalsContact C-N 3.31Å; I674-L676 PolarHBondContact O-N 3.5Å; L676-Q680 WeakPolarHBondContact O-CB 3.28Å; L676-Q680 PolarHBondContact O-N 3Å |
| 677 | D | 82.7 | Confident | 77.4 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 175.2 | -83.6 | -1.5 | 0 | 0 | 0 | 111.4 | R673 I674 Q680 D681 | R673-D677 PolarHBondContact O-N 3.33Å; I674-D677 PolarHBondContact O-N 2.88Å; D677-Q680 WeakPolarHBondContact O-CB 3.46Å; D677-Q680 PolarHBondContact O-N 3.42Å; D677-D681 PolarHBondContact O-N 3.23Å |
| 678 | D | 78.4 | Confident | 77.8 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 177.9 | 171.8 | 42.9 | 0 | 0 | 0 | 112.4 | Y632 Q636 I674 Q680 D681 Q682 | Y632-D678 PolarHBondContact OH-OD2 3.38Å; Q636-D678 PolarHBondContact NE2-OD1 2.82Å; Q636-D678 PolarHBondContact NE2-OD2 2.99Å; Q636-D678 PolarHBondContact OE1-OD1 3.07Å; Q636-D678 PolarHBondContact OE1-OD2 2.66Å; I674-D678 PolarHBondContact O-N 3.3Å; I674-D678 VanDerWaalsContact O-N 3.11Å; D678-Q680 PolarHBondContact O-N 2.94Å; D678-D681 PolarHBondContact O-N 2.98Å; D678-Q682 VanDerWaalsContact CG-NE2 3.31Å; D678-Q682 WeakPolarHBondContact O-CG 3.38Å; D678-Q682 PolarHBondContact O-N 3.45Å; D678-Q682 PolarHBondContact OD1-NE2 3.47Å; D678-Q682 PolarHBondContact OD2-NE2 2.89Å; D678-Q682 VanDerWaalsContact OD2-NE2 3.09Å |
| 679 | L | 78.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 177.2 | -72.7 | 173 | 0 | 0 | 0 | 111.8 | L651 N654 I655 L658 L675 Q682 V683 | L651-L679 HydrophobicContact CD2-CD2 3.71Å; N654-L679 HydrophobicContact CB-CD1 4.23Å; I655-L679 HydrophobicContact CD1-CB 3.94Å; I655-L679 HydrophobicContact CG1-CB 3.49Å; I655-L679 VanDerWaalsContact CG1-CB 3.49Å; I655-L679 HydrophobicContact CG1-CD1 4.2Å; I655-L679 HydrophobicContact CG1-CG 4.49Å; L658-L679 HydrophobicContact CD1-CD1 3.32Å; L675-L679 WeakPolarHBondContact O-CB 3.39Å; L675-L679 VanDerWaalsContact O-CG 3.31Å; L675-L679 WeakPolarHBondContact O-CG 3.44Å; L675-L679 PolarHBondContact O-N 2.75Å; L679-Q682 PolarHBondContact O-N 3.41Å; L679-V683 WeakPolarHBondContact O-CG2 3.45Å; L679-V683 PolarHBondContact O-N 2.92Å |
| 680 | Q | 81.6 | Confident | 77.8 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.5 | -173.2 | 60.4 | 51 | 0 | 0 | 112 | I655 L676 D677 D678 Q682 V683 N684 | I655-Q680 HydrophobicContact CD1-CB 4.26Å; L676-Q680 WeakPolarHBondContact O-CB 3.28Å; L676-Q680 PolarHBondContact O-N 3Å; D677-Q680 WeakPolarHBondContact O-CB 3.46Å; D677-Q680 PolarHBondContact O-N 3.42Å; D678-Q680 PolarHBondContact O-N 2.94Å; Q680-Q682 VanDerWaalsContact C-N 3.34Å; Q680-V683 WeakPolarHBondContact O-CB 3.49Å; Q680-V683 PolarHBondContact O-N 2.88Å; Q680-N684 PolarHBondContact NE2-OD1 3.49Å; Q680-N684 PolarHBondContact O-N 2.92Å; Q680-N684 PolarHBondContact O-ND2 2.92Å; Q680-N684 PolarHBondContact O-OD1 3.03Å |
| 681 | D | 79.3 | Confident | 77.7 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 43% | 0.428 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 173.7 | -89.7 | -4.4 | 0 | 0 | 0 | 112.2 | D677 D678 N684 T685 | D677-D681 PolarHBondContact O-N 3.23Å; D678-D681 PolarHBondContact O-N 2.98Å; D681-N684 PolarHBondContact O-N 3.45Å; D681-T685 PolarHBondContact O-N 3.15Å; D681-T685 PolarHBondContact O-OG1 3.01Å |
| 682 | Q | 78 | Confident | 77.8 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 173.3 | -70.8 | 176 | 33.7 | 0 | 0 | 112.2 | L651 D678 L679 Q680 T685 Q686 | L651-Q682 HydrophobicContact CD1-CB 4.13Å; L651-Q682 HydrophobicContact CD2-CB 4.01Å; D678-Q682 VanDerWaalsContact CG-NE2 3.31Å; D678-Q682 WeakPolarHBondContact O-CG 3.38Å; D678-Q682 PolarHBondContact O-N 3.45Å; D678-Q682 PolarHBondContact OD1-NE2 3.47Å; D678-Q682 PolarHBondContact OD2-NE2 2.89Å; D678-Q682 VanDerWaalsContact OD2-NE2 3.09Å; L679-Q682 PolarHBondContact O-N 3.41Å; Q680-Q682 VanDerWaalsContact C-N 3.34Å; Q682-T685 WeakPolarHBondContact CA-OG1 3.39Å; Q682-T685 PolarHBondContact O-OG1 3.41Å; Q682-Q686 WeakPolarHBondContact O-CB 3.46Å; Q682-Q686 PolarHBondContact O-N 3.46Å |
| 683 | V | 81.4 | Confident | 77.3 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 172.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L651 K652 I655 L679 Q680 T685 Q686 Q687 | L651-V683 HydrophobicContact CB-CG2 3.39Å; L651-V683 HydrophobicContact CD1-CG2 4.38Å; L651-V683 HydrophobicContact CG-CG2 4.43Å; K652-V683 HydrophobicContact CG-CG1 4.13Å; K652-V683 HydrophobicContact CG-CG2 4.11Å; I655-V683 HydrophobicContact CD1-CG2 3.86Å; L679-V683 WeakPolarHBondContact O-CG2 3.45Å; L679-V683 PolarHBondContact O-N 2.92Å; Q680-V683 WeakPolarHBondContact O-CB 3.49Å; Q680-V683 PolarHBondContact O-N 2.88Å; V683-T685 VanDerWaalsContact C-N 3.33Å; V683-T685 PolarHBondContact O-N 3.47Å; V683-Q686 PolarHBondContact O-N 3.34Å; V683-Q687 WeakPolarHBondContact O-CB 3.47Å; V683-Q687 PolarHBondContact O-N 3.47Å |
| 684 | N | 80.2 | Confident | 76.6 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | -176.8 | -66 | -21.9 | 0 | 0 | 0 | 112.9 | Q680 D681 R688 | Q680-N684 PolarHBondContact NE2-OD1 3.49Å; Q680-N684 PolarHBondContact O-N 2.92Å; Q680-N684 PolarHBondContact O-ND2 2.92Å; Q680-N684 PolarHBondContact O-OD1 3.03Å; D681-N684 PolarHBondContact O-N 3.45Å; N684-R688 PolarHBondContact O-N 3.32Å; N684-R688 PolarHBondContact O-NE 2.97Å |
| 685 | T | 73.9 | Confident | 76.1 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.5 | -43.2 | 176.3 | 42.5 | 0 | 0 | 0 | 0 | 111.6 | D681 Q682 V683 Q687 R688 L689 | D681-T685 PolarHBondContact O-N 3.15Å; D681-T685 PolarHBondContact O-OG1 3.01Å; Q682-T685 WeakPolarHBondContact CA-OG1 3.39Å; Q682-T685 PolarHBondContact O-OG1 3.41Å; V683-T685 VanDerWaalsContact C-N 3.33Å; V683-T685 PolarHBondContact O-N 3.47Å; T685-Q687 VanDerWaalsContact C-N 3.34Å; T685-Q687 PolarHBondContact O-N 3.02Å; T685-R688 PolarHBondContact O-N 2.95Å; T685-L689 PolarHBondContact O-N 2.92Å; T685-L689 VanDerWaalsContact O-N 3.13Å |
| 686 | Q | 74.1 | Confident | 75.4 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 176 | -167.1 | 68.9 | 18.8 | 0 | 0 | 112.1 | R646 Q682 V683 R688 L689 E690 | R646-Q686 WeakPolarHBondContact O-CG 3.31Å; Q682-Q686 WeakPolarHBondContact O-CB 3.46Å; Q682-Q686 PolarHBondContact O-N 3.46Å; V683-Q686 PolarHBondContact O-N 3.34Å; Q686-R688 PolarHBondContact O-N 2.85Å; Q686-L689 PolarHBondContact O-N 3Å; Q686-E690 WeakPolarHBondContact O-CG 3.38Å; Q686-E690 PolarHBondContact O-N 3.42Å |
| 687 | Q | 72.7 | Confident | 74.6 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176.1 | -163.4 | 80.2 | 51.2 | 0 | 0 | 111.3 | V683 T685 L689 E690 D691 | V683-Q687 WeakPolarHBondContact O-CB 3.47Å; V683-Q687 PolarHBondContact O-N 3.47Å; T685-Q687 VanDerWaalsContact C-N 3.34Å; T685-Q687 PolarHBondContact O-N 3.02Å; Q687-L689 VanDerWaalsContact C-N 3.33Å; Q687-L689 PolarHBondContact O-N 3.5Å; Q687-E690 PolarHBondContact O-N 3.48Å; Q687-D691 VanDerWaalsContact O-CG 3.25Å; Q687-D691 PolarHBondContact O-N 2.91Å |
| 688 | R | 75.3 | Confident | 73.3 | Confident | 164 Ų | 164 | 69.4 Ų | 69.4 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.5 | -38.8 | 175.3 | -82.2 | -174.2 | -86.5 | -171.7 | -5.3 | 113 | N684 T685 Q686 D691 C692 | N684-R688 PolarHBondContact O-N 3.32Å; N684-R688 PolarHBondContact O-NE 2.97Å; T685-R688 PolarHBondContact O-N 2.95Å; Q686-R688 PolarHBondContact O-N 2.85Å; R688-D691 PolarHBondContact O-N 3.26Å; R688-C692 PolarHBondContact O-N 3.28Å; R688-C692 PolarHBondContact O-SG 2.94Å; R688-C692 VanDerWaalsContact O-SG 3.4Å |
| 689 | L | 70.8 | Confident | 72.4 | Confident | 75 Ų | 75 | 71 Ų | 71 | 39% | 0.393 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 175 | -74.6 | 171.3 | 0 | 0 | 0 | 111.7 | P643 T685 Q686 Q687 D691 C692 V693 | P643-L689 HydrophobicContact CB-CD1 4.34Å; T685-L689 PolarHBondContact O-N 2.92Å; T685-L689 VanDerWaalsContact O-N 3.13Å; Q686-L689 PolarHBondContact O-N 3Å; Q687-L689 VanDerWaalsContact C-N 3.33Å; Q687-L689 PolarHBondContact O-N 3.5Å; L689-D691 VanDerWaalsContact C-N 3.31Å; L689-D691 PolarHBondContact O-N 3.49Å; L689-C692 PolarHBondContact O-N 3.16Å; L689-V693 VanDerWaalsContact O-CG2 3.31Å; L689-V693 WeakPolarHBondContact O-CG2 3.45Å; L689-V693 PolarHBondContact O-N 3.34Å |
| 690 | E | 74 | Confident | 71.3 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 174.7 | -72.7 | 170.6 | -173.8 | 0 | 0 | 110.7 | S648 Q686 Q687 V693 Q694 | S648-E690 PolarHBondContact OG-OE1 2.89Å; S648-E690 PolarHBondContact OG-OE2 3.03Å; S648-E690 VanDerWaalsContact OG-OE2 3.05Å; Q686-E690 WeakPolarHBondContact O-CG 3.38Å; Q686-E690 PolarHBondContact O-N 3.42Å; Q687-E690 PolarHBondContact O-N 3.48Å; E690-V693 PolarHBondContact O-N 3.03Å; E690-Q694 PolarHBondContact O-N 2.88Å; E690-Q694 VanDerWaalsContact O-N 3.11Å; E690-Q694 PolarHBondContact O-OE1 3.14Å |
| 691 | D | 75.6 | Confident | 70 | Confident | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 176.6 | -63.3 | -26.7 | 0 | 0 | 0 | 112.8 | Q687 R688 L689 V693 Q694 E695 | Q687-D691 VanDerWaalsContact O-CG 3.25Å; Q687-D691 PolarHBondContact O-N 2.91Å; R688-D691 PolarHBondContact O-N 3.26Å; L689-D691 VanDerWaalsContact C-N 3.31Å; L689-D691 PolarHBondContact O-N 3.49Å; D691-V693 VanDerWaalsContact C-N 3.33Å; D691-V693 PolarHBondContact O-N 3.12Å; D691-Q694 PolarHBondContact O-N 2.81Å; D691-E695 PolarHBondContact O-N 2.96Å |
| 692 | C | 74.7 | Confident | 68.7 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 177.6 | -73.6 | 0 | 0 | 0 | 0 | 112.7 | R688 L689 Q694 E695 A696 | R688-C692 PolarHBondContact O-N 3.28Å; R688-C692 PolarHBondContact O-SG 2.94Å; R688-C692 VanDerWaalsContact O-SG 3.4Å; L689-C692 PolarHBondContact O-N 3.16Å; C692-Q694 VanDerWaalsContact C-N 3.33Å; C692-E695 PolarHBondContact O-N 3.42Å; C692-A696 WeakPolarHBondContact O-CB 3.46Å; C692-A696 PolarHBondContact O-N 2.9Å |
| 693 | V | 69.5 | Low | 67.5 | Low | 94 Ų | 94 | 81.3 Ų | 81.3 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | L689 E690 D691 A696 V697 | L689-V693 VanDerWaalsContact O-CG2 3.31Å; L689-V693 WeakPolarHBondContact O-CG2 3.45Å; L689-V693 PolarHBondContact O-N 3.34Å; E690-V693 PolarHBondContact O-N 3.03Å; D691-V693 VanDerWaalsContact C-N 3.33Å; D691-V693 PolarHBondContact O-N 3.12Å; V693-A696 PolarHBondContact O-N 3.36Å; V693-V697 HydrophobicContact CG1-CG2 4.45Å; V693-V697 WeakPolarHBondContact O-CB 3.06Å; V693-V697 VanDerWaalsContact O-CG2 3.24Å; V693-V697 WeakPolarHBondContact O-CG2 3.44Å; V693-V697 PolarHBondContact O-N 3.26Å |
| 694 | Q | 66.3 | Low | 65.8 | Low | 140 Ų | 140 | 85.8 Ų | 85.8 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.5 | -38.4 | 174.5 | -91.1 | 164.8 | -67.6 | 0 | 0 | 112.8 | E690 D691 C692 G698 | E690-Q694 PolarHBondContact O-N 2.88Å; E690-Q694 VanDerWaalsContact O-N 3.11Å; E690-Q694 PolarHBondContact O-OE1 3.14Å; D691-Q694 PolarHBondContact O-N 2.81Å; C692-Q694 VanDerWaalsContact C-N 3.33Å; Q694-G698 PolarHBondContact O-N 3.42Å |
| 695 | E | 70.3 | Confident | 64.4 | Low | 137 Ų | 137 | 86.9 Ų | 86.9 | 64% | 0.64 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.9 | -45.1 | 174.7 | -171.5 | -179.7 | -171.4 | 0 | 0 | 112.3 | D691 C692 V697 G698 T699 | D691-E695 PolarHBondContact O-N 2.96Å; C692-E695 PolarHBondContact O-N 3.42Å; E695-V697 PolarHBondContact O-N 2.95Å; E695-G698 PolarHBondContact O-N 2.87Å; E695-T699 PolarHBondContact O-N 3.33Å; E695-T699 PolarHBondContact O-OG1 3.03Å |
| 696 | A | 63.8 | Low | 63 | Low | 49 Ų | 49 | 89.4 Ų | 89.4 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C692 V693 G698 T699 I700 | C692-A696 WeakPolarHBondContact O-CB 3.46Å; C692-A696 PolarHBondContact O-N 2.9Å; V693-A696 PolarHBondContact O-N 3.36Å; A696-G698 VanDerWaalsContact C-N 3.33Å; A696-G698 PolarHBondContact O-N 3.47Å; A696-T699 PolarHBondContact O-N 3.37Å; A696-I700 WeakPolarHBondContact O-CG1 3.4Å; A696-I700 PolarHBondContact O-N 3.45Å |
| 697 | V | 65.3 | Low | 61.3 | Low | 72 Ų | 72 | 93.6 Ų | 93.6 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 111 | V693 E695 I700 Q701 | V693-V697 HydrophobicContact CG1-CG2 4.45Å; V693-V697 WeakPolarHBondContact O-CB 3.06Å; V693-V697 VanDerWaalsContact O-CG2 3.24Å; V693-V697 WeakPolarHBondContact O-CG2 3.44Å; V693-V697 PolarHBondContact O-N 3.26Å; E695-V697 PolarHBondContact O-N 2.95Å; V697-I700 PolarHBondContact O-N 3.41Å; V697-Q701 WeakPolarHBondContact O-CG 3.46Å; V697-Q701 PolarHBondContact O-N 3.35Å |
| 698 | G | 55.7 | Low | 59.7 | Low | 35 Ų | 35 | 96 Ų | 96 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q694 E695 A696 Q701 S702 | Q694-G698 PolarHBondContact O-N 3.42Å; E695-G698 PolarHBondContact O-N 2.87Å; A696-G698 VanDerWaalsContact C-N 3.33Å; A696-G698 PolarHBondContact O-N 3.47Å; G698-Q701 PolarHBondContact O-N 3.43Å; G698-S702 PolarHBondContact O-N 3.33Å |
| 699 | T | 61.1 | Low | 58.2 | Low | 63 Ų | 63 | 96.1 Ų | 96.1 | 39% | 0.387 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 179.4 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | E695 A696 Q701 S702 Q703 | E695-T699 PolarHBondContact O-N 3.33Å; E695-T699 PolarHBondContact O-OG1 3.03Å; A696-T699 PolarHBondContact O-N 3.37Å; T699-Q701 VanDerWaalsContact C-N 3.33Å; T699-S702 PolarHBondContact O-N 3.42Å; T699-S702 PolarHBondContact O-OG 3.07Å; T699-Q703 WeakPolarHBondContact O-CG 3.42Å; T699-Q703 PolarHBondContact O-N 2.83Å |
| 700 | I | 54.2 | Low | 56.9 | Low | 107 Ų | 107 | 99 Ų | 99 | 55% | 0.549 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 175 | -68 | 167.1 | 0 | 0 | 0 | 110.6 | A696 V697 S702 Q703 N704 | A696-I700 WeakPolarHBondContact O-CG1 3.4Å; A696-I700 PolarHBondContact O-N 3.45Å; V697-I700 PolarHBondContact O-N 3.41Å; I700-S702 VanDerWaalsContact C-N 3.34Å; I700-Q703 PolarHBondContact O-N 3.21Å; I700-N704 PolarHBondContact O-N 2.87Å; I700-N704 VanDerWaalsContact O-N 3.12Å |
| 701 | Q | 53.9 | Low | 55.4 | Low | 139 Ų | 139 | 104.1 Ų | 104.1 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -34.9 | 175.1 | -76.1 | 179.3 | -11 | 0 | 0 | 112.4 | V697 G698 T699 | V697-Q701 WeakPolarHBondContact O-CG 3.46Å; V697-Q701 PolarHBondContact O-N 3.35Å; G698-Q701 PolarHBondContact O-N 3.43Å; T699-Q701 VanDerWaalsContact C-N 3.33Å |
| 702 | S | 52.1 | Low | 54.1 | Low | 66 Ų | 66 | 107.6 Ų | 107.6 | 46% | 0.462 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.4 | -33.1 | 175.9 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | G698 T699 I700 T705 | G698-S702 PolarHBondContact O-N 3.33Å; T699-S702 PolarHBondContact O-N 3.42Å; T699-S702 PolarHBondContact O-OG 3.07Å; I700-S702 VanDerWaalsContact C-N 3.34Å; S702-T705 PolarHBondContact O-OG1 3.39Å |
| 703 | Q | 52.3 | Low | 52.8 | Low | 124 Ų | 124 | 113.2 Ų | 113.2 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.3 | -25.8 | 177.7 | -73.4 | -171.6 | -5.1 | 0 | 0 | 112.9 | T699 I700 T705 D706 | T699-Q703 WeakPolarHBondContact O-CG 3.42Å; T699-Q703 PolarHBondContact O-N 2.83Å; I700-Q703 PolarHBondContact O-N 3.21Å; Q703-T705 VanDerWaalsContact C-N 3.25Å; Q703-T705 PolarHBondContact O-N 3.44Å; Q703-D706 PolarHBondContact O-N 2.93Å |
| 704 | N | 46.1 | Very low | 52 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -14.8 | 174.8 | -102.4 | -24.5 | 0 | 0 | 0 | 114 | I700 | I700-N704 PolarHBondContact O-N 2.87Å; I700-N704 VanDerWaalsContact O-N 3.12Å |
| 705 | T | 50 | Low | 51.3 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -24.4 | 170.6 | 46.9 | 0 | 0 | 0 | 0 | 113 | S702 Q703 | S702-T705 PolarHBondContact O-OG1 3.39Å; Q703-T705 VanDerWaalsContact C-N 3.25Å; Q703-T705 PolarHBondContact O-N 3.44Å |
| 706 | D | 44.5 | Very low | 50.5 | Low | 119 Ų | 119 | 111.1 Ų | 111.1 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -22.4 | -177.1 | -72 | -13.1 | 0 | 0 | 0 | 113.7 | Q703 I708 | Q703-D706 PolarHBondContact O-N 2.93Å; D706-I708 PolarHBondContact O-N 2.91Å |
| 707 | I | 40 | Very low | 50.2 | Low | 110 Ų | 110 | 113.4 Ų | 113.4 | 56% | 0.564 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -71.4 | -15.2 | 178.5 | -62.4 | 177.3 | 0 | 0 | 0 | 112.1 | H709 | I707-H709 VanDerWaalsContact C-N 3.25Å; I707-H709 PolarHBondContact O-N 3.48Å |
| 708 | I | 39 | Very low | 50.1 | Low | 120 Ų | 120 | 114.5 Ų | 114.5 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -72.3 | -14.3 | -178.8 | -63.8 | 179.3 | 0 | 0 | 0 | 112.8 | D706 | D706-I708 PolarHBondContact O-N 2.91Š|
| 709 | H | 43.8 | Very low | 50.4 | Low | 165 Ų | 165 | 115.9 Ų | 115.9 | 76% | 0.764 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -97.2 | 5.6 | -172.2 | -82.5 | -61.3 | 0 | 0 | 0 | 117.8 | I707 | I707-H709 VanDerWaalsContact C-N 3.25Å; I707-H709 PolarHBondContact O-N 3.48Å |
| 710 | I | 42.5 | Very low | 50.6 | Low | 135 Ų | 135 | 115.9 Ų | 115.9 | 69% | 0.692 | 60% | 0.599 | S | S | * | * | trans | -110.7 | 30.3 | -172.7 | -46.1 | 177.6 | 0 | 0 | 0 | 113.4 | ||||
| 711 | F | 43.6 | Very low | 51.3 | Low | 166 Ų | 166 | 115.5 Ų | 115.5 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | trans | -92.9 | 7.6 | -173.3 | -85.8 | -75.3 | 0 | 0 | 0 | 117.8 | ||||
| 712 | N | 47.1 | Very low | 52.1 | Low | 157 Ų | 157 | 115.4 Ų | 115.4 | 84% | 0.84 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -111.6 | 10.9 | -163.5 | -77.2 | -21.5 | 0 | 0 | 0 | 119.2 | ||
| 713 | R | 47.1 | Very low | 53 | Low | 193 Ų | 193 | 117.8 Ų | 117.8 | 73% | 0.728 | 59% | 0.594 | S | S | * | * | trans | -143.3 | 127.8 | 168.4 | -86 | -166.4 | 169 | 134.5 | -2 | 114.5 | D715 D716 L717 | R713-D715 PolarHBondContact O-N 3.28Å; R713-D716 PolarHBondContact O-N 3.24Å; R713-L717 PolarHBondContact O-N 2.86Å | ||
| 714 | P | 53.6 | Low | 54.1 | Low | 99 Ų | 99 | 117 Ų | 117 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.3 | -29.1 | -175.4 | -18.3 | 30.8 | 0 | 0 | 0 | 115.3 | D716 L717 I718 | P714-D716 VanDerWaalsContact C-N 3.32Å; P714-L717 VanDerWaalsContact O-CB 3.32Å; P714-L717 WeakPolarHBondContact O-CB 3.38Å; P714-L717 PolarHBondContact O-N 3.48Å; P714-I718 PolarHBondContact O-N 2.85Å |
| 715 | D | 51.6 | Low | 55.5 | Low | 134 Ų | 134 | 114.9 Ų | 114.9 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.8 | -30.4 | -179.9 | -67.7 | -38.3 | 0 | 0 | 0 | 112 | R713 L717 S719 | R713-D715 PolarHBondContact O-N 3.28Å; D715-L717 VanDerWaalsContact C-N 3.32Å; D715-S719 PolarHBondContact O-N 2.88Å |
| 716 | D | 54 | Low | 56.7 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.3 | -30.2 | 171.4 | -64.5 | -33 | 0 | 0 | 0 | 111.1 | R713 P714 T720 | R713-D716 PolarHBondContact O-N 3.24Å; P714-D716 VanDerWaalsContact C-N 3.32Å; D716-T720 VanDerWaalsContact O-CB 3.28Å; D716-T720 WeakPolarHBondContact O-CB 3.5Å; D716-T720 WeakPolarHBondContact O-CG2 3.38Å; D716-T720 PolarHBondContact O-N 3.02Å; D716-T720 PolarHBondContact O-OG1 2.96Å |
| 717 | L | 57.9 | Low | 58.3 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -41.4 | 176.9 | -162.2 | 82 | 0 | 0 | 0 | 112 | R713 P714 D715 T720 I721 | R713-L717 PolarHBondContact O-N 2.86Å; P714-L717 VanDerWaalsContact O-CB 3.32Å; P714-L717 WeakPolarHBondContact O-CB 3.38Å; P714-L717 PolarHBondContact O-N 3.48Å; D715-L717 VanDerWaalsContact C-N 3.32Å; L717-T720 VanDerWaalsContact CA-OG1 3.24Å; L717-T720 WeakPolarHBondContact CA-OG1 3.39Å; L717-T720 PolarHBondContact O-OG1 2.86Å; L717-I721 HydrophobicContact CD2-CD1 4.21Å; L717-I721 HydrophobicContact CG-CD1 3.95Å; L717-I721 WeakPolarHBondContact O-CB 3.48Å; L717-I721 WeakPolarHBondContact O-CD1 3.34Å; L717-I721 WeakPolarHBondContact O-CG1 3.24Å; L717-I721 PolarHBondContact O-N 3.41Å |
| 718 | I | 63.2 | Low | 60.1 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.4 | -39.5 | 179.8 | -59.5 | 175.2 | 0 | 0 | 0 | 110.6 | P714 I721 R722 | P714-I718 PolarHBondContact O-N 2.85Å; I718-I721 PolarHBondContact O-N 3.29Å; I718-R722 WeakPolarHBondContact O-CB 3.5Å; I718-R722 PolarHBondContact O-N 3.3Å |
| 719 | S | 61.7 | Low | 62.1 | Low | 64 Ų | 64 | 110.3 Ų | 110.3 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.4 | -45.1 | 173.8 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | D715 R722 H723 | D715-S719 PolarHBondContact O-N 2.88Å; S719-R722 PolarHBondContact O-N 3.34Å; S719-H723 VanDerWaalsContact O-CB 3.25Å; S719-H723 WeakPolarHBondContact O-CB 3.38Å; S719-H723 PolarHBondContact O-N 2.93Å |
| 720 | T | 63.7 | Low | 63.9 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -41.5 | 176.2 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | D716 L717 H723 L724 | D716-T720 VanDerWaalsContact O-CB 3.28Å; D716-T720 WeakPolarHBondContact O-CB 3.5Å; D716-T720 WeakPolarHBondContact O-CG2 3.38Å; D716-T720 PolarHBondContact O-N 3.02Å; D716-T720 PolarHBondContact O-OG1 2.96Å; L717-T720 VanDerWaalsContact CA-OG1 3.24Å; L717-T720 WeakPolarHBondContact CA-OG1 3.39Å; L717-T720 PolarHBondContact O-OG1 2.86Å; T720-H723 PolarHBondContact O-N 3.48Å; T720-L724 WeakPolarHBondContact O-CB 3.41Å; T720-L724 WeakPolarHBondContact O-CD1 3.48Å; T720-L724 WeakPolarHBondContact O-CG 3.43Å; T720-L724 PolarHBondContact O-N 2.97Å |
| 721 | I | 68.9 | Low | 65.7 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.8 | -70.7 | 165.1 | 0 | 0 | 0 | 110.9 | L717 I718 L724 A725 | L717-I721 HydrophobicContact CD2-CD1 4.21Å; L717-I721 HydrophobicContact CG-CD1 3.95Å; L717-I721 WeakPolarHBondContact O-CB 3.48Å; L717-I721 WeakPolarHBondContact O-CD1 3.34Å; L717-I721 WeakPolarHBondContact O-CG1 3.24Å; L717-I721 PolarHBondContact O-N 3.41Å; I718-I721 PolarHBondContact O-N 3.29Å; I721-L724 PolarHBondContact O-N 3.19Å; I721-A725 VanDerWaalsContact O-CB 3.29Å; I721-A725 WeakPolarHBondContact O-CB 3.31Å; I721-A725 PolarHBondContact O-N 3.25Å |
| 722 | R | 72.3 | Confident | 67.6 | Low | 137 Ų | 137 | 101.3 Ų | 101.3 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.7 | -168.5 | -175.1 | -47.6 | 109.3 | 3.7 | 111.2 | I718 S719 A725 E726 | I718-R722 WeakPolarHBondContact O-CB 3.5Å; I718-R722 PolarHBondContact O-N 3.3Å; S719-R722 PolarHBondContact O-N 3.34Å; R722-A725 PolarHBondContact O-N 3.11Å; R722-E726 WeakPolarHBondContact O-CB 3.42Å; R722-E726 PolarHBondContact O-N 3.18Å |
| 723 | H | 71.3 | Confident | 69.5 | Low | 116 Ų | 116 | 98.7 Ų | 98.7 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | -165.2 | 41.7 | 0 | 0 | 0 | 110.7 | S719 T720 A725 E726 L727 | S719-H723 VanDerWaalsContact O-CB 3.25Å; S719-H723 WeakPolarHBondContact O-CB 3.38Å; S719-H723 PolarHBondContact O-N 2.93Å; T720-H723 PolarHBondContact O-N 3.48Å; H723-A725 VanDerWaalsContact C-N 3.34Å; H723-A725 PolarHBondContact O-N 3.4Å; H723-E726 PolarHBondContact O-N 3.48Å; H723-L727 WeakPolarHBondContact O-CB 3.47Å; H723-L727 PolarHBondContact O-N 2.65Å |
| 724 | L | 74.3 | Confident | 71.2 | Confident | 107 Ų | 107 | 95.3 Ų | 95.3 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 172.1 | -78.6 | 163.9 | 0 | 0 | 0 | 111.7 | T720 I721 L727 T728 | T720-L724 WeakPolarHBondContact O-CB 3.41Å; T720-L724 WeakPolarHBondContact O-CD1 3.48Å; T720-L724 WeakPolarHBondContact O-CG 3.43Å; T720-L724 PolarHBondContact O-N 2.97Å; I721-L724 PolarHBondContact O-N 3.19Å; L724-L727 PolarHBondContact O-N 2.87Å; L724-T728 WeakPolarHBondContact O-CB 3.36Å; L724-T728 PolarHBondContact O-N 3.42Å; L724-T728 PolarHBondContact O-OG1 2.9Å |
| 725 | A | 75.8 | Confident | 72.7 | Confident | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I721 R722 H723 T728 S729 | I721-A725 VanDerWaalsContact O-CB 3.29Å; I721-A725 WeakPolarHBondContact O-CB 3.31Å; I721-A725 PolarHBondContact O-N 3.25Å; R722-A725 PolarHBondContact O-N 3.11Å; H723-A725 VanDerWaalsContact C-N 3.34Å; H723-A725 PolarHBondContact O-N 3.4Å; A725-T728 PolarHBondContact O-N 3.3Å; A725-S729 WeakPolarHBondContact O-CB 3.39Å; A725-S729 PolarHBondContact O-N 2.94Å; A725-S729 PolarHBondContact O-OG 3.4Å |
| 726 | E | 75.6 | Confident | 74.4 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 171.2 | -85.5 | 174.8 | 167.4 | 0 | 0 | 111.4 | R722 H723 T728 S729 T730 | R722-E726 WeakPolarHBondContact O-CB 3.42Å; R722-E726 PolarHBondContact O-N 3.18Å; H723-E726 PolarHBondContact O-N 3.48Å; E726-T728 VanDerWaalsContact C-N 3.3Å; E726-T728 PolarHBondContact O-N 3.44Å; E726-S729 PolarHBondContact O-N 3.38Å; E726-T730 WeakPolarHBondContact O-CB 3.05Å; E726-T730 VanDerWaalsContact O-CG2 3.3Å; E726-T730 WeakPolarHBondContact O-CG2 3.28Å; E726-T730 PolarHBondContact O-N 2.83Å; E726-T730 PolarHBondContact O-OG1 3.06Å |
| 727 | L | 77.8 | Confident | 76.1 | Confident | 77 Ų | 77 | 95.6 Ų | 95.6 | 40% | 0.403 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.1 | -148.5 | 109.8 | 0 | 0 | 0 | 110.2 | H723 L724 T730 M731 | H723-L727 WeakPolarHBondContact O-CB 3.47Å; H723-L727 PolarHBondContact O-N 2.65Å; L724-L727 PolarHBondContact O-N 2.87Å; L727-T730 WeakPolarHBondContact CA-OG1 3.47Å; L727-T730 PolarHBondContact O-OG1 3.3Å; L727-M731 HydrophobicContact CD2-CE 3.68Å; L727-M731 HydrophobicContact CG-CE 4.48Å; L727-M731 WeakPolarHBondContact O-CB 3.26Å; L727-M731 PolarHBondContact O-N 3.25Å |
| 728 | T | 78.5 | Confident | 77.3 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 177 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | L724 A725 E726 M731 I732 | L724-T728 WeakPolarHBondContact O-CB 3.36Å; L724-T728 PolarHBondContact O-N 3.42Å; L724-T728 PolarHBondContact O-OG1 2.9Å; A725-T728 PolarHBondContact O-N 3.3Å; E726-T728 VanDerWaalsContact C-N 3.3Å; E726-T728 PolarHBondContact O-N 3.44Å; T728-M731 PolarHBondContact O-N 3.5Å; T728-I732 HydrophobicContact CG2-CD1 3.85Å; T728-I732 HydrophobicContact CG2-CG1 4.4Å; T728-I732 WeakPolarHBondContact O-CB 3.48Å; T728-I732 WeakPolarHBondContact O-CG1 3.47Å; T728-I732 PolarHBondContact O-N 3.01Å |
| 729 | S | 79.3 | Confident | 78.6 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 175.3 | -84.6 | 0 | 0 | 0 | 0 | 112.2 | A725 E726 M731 I732 Q733 | A725-S729 WeakPolarHBondContact O-CB 3.39Å; A725-S729 PolarHBondContact O-N 2.94Å; A725-S729 PolarHBondContact O-OG 3.4Å; E726-S729 PolarHBondContact O-N 3.38Å; S729-M731 VanDerWaalsContact C-N 3.33Å; S729-M731 PolarHBondContact O-N 3.04Å; S729-I732 PolarHBondContact O-N 3.46Å; S729-Q733 WeakPolarHBondContact O-CB 3.34Å; S729-Q733 PolarHBondContact O-N 3.29Å |
| 730 | T | 81.7 | Confident | 80 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 49% | 0.485 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176.7 | 52 | 0 | 0 | 0 | 0 | 111.2 | E726 L727 Q733 Q734 | E726-T730 WeakPolarHBondContact O-CB 3.05Å; E726-T730 VanDerWaalsContact O-CG2 3.3Å; E726-T730 WeakPolarHBondContact O-CG2 3.28Å; E726-T730 PolarHBondContact O-N 2.83Å; E726-T730 PolarHBondContact O-OG1 3.06Å; L727-T730 WeakPolarHBondContact CA-OG1 3.47Å; L727-T730 PolarHBondContact O-OG1 3.3Å; T730-Q733 PolarHBondContact O-N 3.01Å; T730-Q734 VanDerWaalsContact O-CB 3.31Å; T730-Q734 WeakPolarHBondContact O-CB 3.44Å; T730-Q734 VanDerWaalsContact O-CG 3.28Å; T730-Q734 WeakPolarHBondContact O-CG 3.45Å; T730-Q734 PolarHBondContact O-N 2.86Å |
| 731 | M | 80.8 | Confident | 81.2 | Confident | 106 Ų | 106 | 103.4 Ų | 103.4 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 176 | -159.1 | -171.9 | -48 | 0 | 0 | 112.1 | L727 T728 S729 K735 | L727-M731 HydrophobicContact CD2-CE 3.68Å; L727-M731 HydrophobicContact CG-CE 4.48Å; L727-M731 WeakPolarHBondContact O-CB 3.26Å; L727-M731 PolarHBondContact O-N 3.25Å; T728-M731 PolarHBondContact O-N 3.5Å; S729-M731 VanDerWaalsContact C-N 3.33Å; S729-M731 PolarHBondContact O-N 3.04Å; M731-K735 WeakPolarHBondContact O-CB 3.37Å; M731-K735 PolarHBondContact O-N 2.79Å |
| 732 | I | 84.2 | Confident | 82 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 171.5 | -72 | 166.1 | 0 | 0 | 0 | 110.6 | T728 S729 K735 M736 | T728-I732 HydrophobicContact CG2-CD1 3.85Å; T728-I732 HydrophobicContact CG2-CG1 4.4Å; T728-I732 WeakPolarHBondContact O-CB 3.48Å; T728-I732 WeakPolarHBondContact O-CG1 3.47Å; T728-I732 PolarHBondContact O-N 3.01Å; S729-I732 PolarHBondContact O-N 3.46Å; I732-K735 WeakPolarHBondContact O-CB 3.28Å; I732-K735 PolarHBondContact O-N 3.4Å; I732-M736 PolarHBondContact O-N 2.92Å |
| 733 | Q | 86.8 | Confident | 82.9 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 178.2 | -174.7 | 59.7 | 45.3 | 0 | 0 | 111 | S729 T730 K735 M736 D737 | S729-Q733 WeakPolarHBondContact O-CB 3.34Å; S729-Q733 PolarHBondContact O-N 3.29Å; T730-Q733 PolarHBondContact O-N 3.01Å; Q733-K735 VanDerWaalsContact C-N 3.28Å; Q733-K735 PolarHBondContact O-N 2.83Å; Q733-M736 WeakPolarHBondContact O-CB 3.39Å; Q733-M736 PolarHBondContact O-N 3.22Å; Q733-D737 PolarHBondContact NE2-OD1 2.8Å; Q733-D737 PolarHBondContact NE2-OD2 3.34Å; Q733-D737 PolarHBondContact O-N 3.24Å |
| 734 | Q | 82.5 | Confident | 83.9 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.6 | -40.9 | 173.4 | -78 | 178.8 | -14.7 | 0 | 0 | 111.8 | T730 D737 L738 | T730-Q734 VanDerWaalsContact O-CB 3.31Å; T730-Q734 WeakPolarHBondContact O-CB 3.44Å; T730-Q734 VanDerWaalsContact O-CG 3.28Å; T730-Q734 WeakPolarHBondContact O-CG 3.45Å; T730-Q734 PolarHBondContact O-N 2.86Å; Q734-D737 PolarHBondContact O-N 2.68Å; Q734-L738 VanDerWaalsContact O-CB 3.28Å; Q734-L738 WeakPolarHBondContact O-CB 3.43Å; Q734-L738 WeakPolarHBondContact O-CG 3.36Å; Q734-L738 PolarHBondContact O-N 2.92Å |
| 735 | K | 84.7 | Confident | 84.5 | Confident | 135 Ų | 135 | 100.4 Ų | 100.4 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 173.4 | 175.8 | -174.9 | 172.7 | -179.2 | 0 | 111.6 | M731 I732 Q733 L739 | M731-K735 WeakPolarHBondContact O-CB 3.37Å; M731-K735 PolarHBondContact O-N 2.79Å; I732-K735 WeakPolarHBondContact O-CB 3.28Å; I732-K735 PolarHBondContact O-N 3.4Å; Q733-K735 VanDerWaalsContact C-N 3.28Å; Q733-K735 PolarHBondContact O-N 2.83Å; K735-L739 HydrophobicContact CG-CD1 4.09Å; K735-L739 WeakPolarHBondContact O-CB 3.3Å; K735-L739 VanDerWaalsContact O-CG 3.28Å; K735-L739 WeakPolarHBondContact O-CG 3.41Å; K735-L739 PolarHBondContact O-N 3.27Å |
| 736 | M | 87.1 | Confident | 85.1 | Confident | 121 Ų | 121 | 102.8 Ų | 102.8 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 176.7 | -82.1 | -161.1 | 171.9 | 0 | 0 | 111.7 | I732 Q733 L739 K740 | I732-M736 PolarHBondContact O-N 2.92Å; Q733-M736 WeakPolarHBondContact O-CB 3.39Å; Q733-M736 PolarHBondContact O-N 3.22Å; M736-L739 PolarHBondContact O-N 3.25Å; M736-K740 WeakPolarHBondContact O-CB 3.37Å; M736-K740 PolarHBondContact O-N 3.47Å |
| 737 | D | 89 | Confident | 85.9 | Confident | 75 Ų | 75 | 101.4 Ų | 101.4 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 178.8 | -67.4 | -29.7 | 0 | 0 | 0 | 111.6 | Q733 Q734 K740 Q741 | Q733-D737 PolarHBondContact NE2-OD1 2.8Å; Q733-D737 PolarHBondContact NE2-OD2 3.34Å; Q733-D737 PolarHBondContact O-N 3.24Å; Q734-D737 PolarHBondContact O-N 2.68Å; D737-K740 PolarHBondContact O-N 3.37Å; D737-Q741 PolarHBondContact O-N 3.32Å |
| 738 | L | 84.8 | Confident | 86.5 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 172.3 | -82.4 | 164.7 | 0 | 0 | 0 | 111.8 | Q734 K740 Q741 I742 | Q734-L738 VanDerWaalsContact O-CB 3.28Å; Q734-L738 WeakPolarHBondContact O-CB 3.43Å; Q734-L738 WeakPolarHBondContact O-CG 3.36Å; Q734-L738 PolarHBondContact O-N 2.92Å; L738-K740 PolarHBondContact O-N 2.89Å; L738-Q741 PolarHBondContact O-N 2.77Å; L738-I742 WeakPolarHBondContact O-CB 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.46Å; L738-I742 PolarHBondContact O-N 3.38Å |
| 739 | L | 90 | Very high | 86.9 | Confident | 99 Ų | 99 | 104.2 Ų | 104.2 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 175.7 | -79 | 171.3 | 0 | 0 | 0 | 111.5 | K735 M736 K743 | K735-L739 HydrophobicContact CG-CD1 4.09Å; K735-L739 WeakPolarHBondContact O-CB 3.3Å; K735-L739 VanDerWaalsContact O-CG 3.28Å; K735-L739 WeakPolarHBondContact O-CG 3.41Å; K735-L739 PolarHBondContact O-N 3.27Å; M736-L739 PolarHBondContact O-N 3.25Å; L739-K743 WeakPolarHBondContact O-CB 3.48Å; L739-K743 PolarHBondContact O-N 3.28Å |
| 740 | K | 90.2 | Very high | 87.4 | Confident | 159 Ų | 159 | 106.2 Ų | 106.2 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.4 | -40.6 | 177.2 | -159.1 | 178.2 | -176.1 | -176.1 | 0 | 111.8 | M736 D737 L738 K743 L744 | M736-K740 WeakPolarHBondContact O-CB 3.37Å; M736-K740 PolarHBondContact O-N 3.47Å; D737-K740 PolarHBondContact O-N 3.37Å; L738-K740 PolarHBondContact O-N 2.89Å; K740-K743 PolarHBondContact O-N 3.38Å; K740-L744 WeakPolarHBondContact O-CB 3.26Å; K740-L744 PolarHBondContact O-N 3.16Å |
| 741 | Q | 90.7 | Very high | 87.9 | Confident | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 173.6 | -76.8 | -161.3 | 37.1 | 0 | 0 | 112.4 | D737 L738 K743 L744 N745 | D737-Q741 PolarHBondContact O-N 3.32Å; L738-Q741 PolarHBondContact O-N 2.77Å; Q741-K743 VanDerWaalsContact C-N 3.3Å; Q741-K743 PolarHBondContact O-N 2.87Å; Q741-L744 WeakPolarHBondContact O-CB 3.22Å; Q741-L744 PolarHBondContact O-N 3.42Å; Q741-L744 VanDerWaalsContact O-N 3.15Å; Q741-N745 WeakPolarHBondContact O-CB 3.4Å; Q741-N745 PolarHBondContact O-N 2.83Å; Q741-N745 PolarHBondContact O-OD1 2.9Å |
| 742 | I | 84.9 | Confident | 88.3 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 175.3 | -69.9 | 165.1 | 0 | 0 | 0 | 109.6 | L738 L744 N745 E746 | L738-I742 WeakPolarHBondContact O-CB 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.46Å; L738-I742 PolarHBondContact O-N 3.38Å; I742-L744 VanDerWaalsContact C-N 3.31Å; I742-L744 PolarHBondContact O-N 3.43Å; I742-N745 PolarHBondContact O-N 2.89Å; I742-E746 HydrophobicContact CG2-CG 4.35Å; I742-E746 WeakPolarHBondContact O-CB 3.37Å; I742-E746 VanDerWaalsContact O-CG 3.29Å; I742-E746 WeakPolarHBondContact O-CG 3.43Å; I742-E746 PolarHBondContact O-N 2.91Å |
| 743 | K | 90.6 | Very high | 88.6 | Confident | 126 Ų | 126 | 107.3 Ų | 107.3 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 177.3 | -161.9 | 76.3 | -174.5 | 167.7 | 0 | 112.5 | L739 K740 Q741 E746 I747 | L739-K743 WeakPolarHBondContact O-CB 3.48Å; L739-K743 PolarHBondContact O-N 3.28Å; K740-K743 PolarHBondContact O-N 3.38Å; Q741-K743 VanDerWaalsContact C-N 3.3Å; Q741-K743 PolarHBondContact O-N 2.87Å; K743-E746 IonicContact NZ-OE2 3.56Å; K743-I747 WeakPolarHBondContact O-CD1 3.38Å; K743-I747 VanDerWaalsContact O-CG1 3.28Å; K743-I747 WeakPolarHBondContact O-CG1 3.42Å; K743-I747 PolarHBondContact O-N 2.84Å |
| 744 | L | 92.5 | Very high | 88.9 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -47.7 | 177.8 | -161.7 | 85 | 0 | 0 | 0 | 111 | K740 Q741 I742 E746 I747 E748 | K740-L744 WeakPolarHBondContact O-CB 3.26Å; K740-L744 PolarHBondContact O-N 3.16Å; Q741-L744 WeakPolarHBondContact O-CB 3.22Å; Q741-L744 PolarHBondContact O-N 3.42Å; Q741-L744 VanDerWaalsContact O-N 3.15Å; I742-L744 VanDerWaalsContact C-N 3.31Å; I742-L744 PolarHBondContact O-N 3.43Å; L744-E746 VanDerWaalsContact C-N 3.33Å; L744-E746 PolarHBondContact O-N 3.1Å; L744-I747 PolarHBondContact O-N 3.13Å; L744-I747 VanDerWaalsContact O-N 3.13Å; L744-E748 PolarHBondContact O-N 3.48Å |
| 745 | N | 86.5 | Confident | 89.4 | Confident | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.2 | -70.3 | 1.7 | 0 | 0 | 0 | 111.6 | Q741 I742 I747 E748 H749 | Q741-N745 WeakPolarHBondContact O-CB 3.4Å; Q741-N745 PolarHBondContact O-N 2.83Å; Q741-N745 PolarHBondContact O-OD1 2.9Å; I742-N745 PolarHBondContact O-N 2.89Å; N745-I747 VanDerWaalsContact C-N 3.31Å; N745-I747 PolarHBondContact O-N 2.96Å; N745-E748 PolarHBondContact O-N 3.31Å; N745-H749 WeakPolarHBondContact O-CB 3.24Å; N745-H749 PolarHBondContact O-CD2 3.01Å; N745-H749 VanDerWaalsContact O-CG 3.32Å; N745-H749 PolarHBondContact O-N 3.35Å |
| 746 | E | 89.3 | Confident | 89.6 | Confident | 104 Ų | 104 | 104.6 Ų | 104.6 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 173.2 | -79.7 | 175.4 | 176.7 | 0 | 0 | 111.6 | I742 K743 L744 H750 | I742-E746 HydrophobicContact CG2-CG 4.35Å; I742-E746 WeakPolarHBondContact O-CB 3.37Å; I742-E746 VanDerWaalsContact O-CG 3.29Å; I742-E746 WeakPolarHBondContact O-CG 3.43Å; I742-E746 PolarHBondContact O-N 2.91Å; K743-E746 IonicContact NZ-OE2 3.56Å; L744-E746 VanDerWaalsContact C-N 3.33Å; L744-E746 PolarHBondContact O-N 3.1Å; E746-H750 VanDerWaalsContact O-CB 3.26Å; E746-H750 WeakPolarHBondContact O-CB 3.28Å; E746-H750 PolarHBondContact O-N 2.9Å |
| 747 | I | 91.6 | Very high | 89.8 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -46.6 | 177.9 | -67.9 | 164.4 | 0 | 0 | 0 | 110.3 | K743 L744 N745 H750 E751 | K743-I747 WeakPolarHBondContact O-CD1 3.38Å; K743-I747 VanDerWaalsContact O-CG1 3.28Å; K743-I747 WeakPolarHBondContact O-CG1 3.42Å; K743-I747 PolarHBondContact O-N 2.84Å; L744-I747 PolarHBondContact O-N 3.13Å; L744-I747 VanDerWaalsContact O-N 3.13Å; N745-I747 VanDerWaalsContact C-N 3.31Å; N745-I747 PolarHBondContact O-N 2.96Å; I747-H750 PolarHBondContact O-N 3.21Å; I747-E751 WeakPolarHBondContact O-CG 3.46Å; I747-E751 PolarHBondContact O-N 3.03Å |
| 748 | E | 90.6 | Very high | 90 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 179 | -173.5 | 171.1 | -163.5 | 0 | 0 | 111.4 | L744 N745 H750 E751 E752 | L744-E748 PolarHBondContact O-N 3.48Å; N745-E748 PolarHBondContact O-N 3.31Å; E748-H750 VanDerWaalsContact C-N 3.32Å; E748-H750 PolarHBondContact O-N 3.26Å; E748-E751 PolarHBondContact O-N 3.05Å; E748-E752 WeakPolarHBondContact O-CG 3.26Å; E748-E752 PolarHBondContact O-N 3.32Å |
| 749 | H | 87.8 | Confident | 90.4 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 174.8 | -71.7 | -42.4 | 0 | 0 | 0 | 112.5 | N745 E751 E752 I753 | N745-H749 WeakPolarHBondContact O-CB 3.24Å; N745-H749 PolarHBondContact O-CD2 3.01Å; N745-H749 VanDerWaalsContact O-CG 3.32Å; N745-H749 PolarHBondContact O-N 3.35Å; H749-E751 VanDerWaalsContact C-N 3.34Å; H749-E751 PolarHBondContact O-N 2.95Å; H749-E752 IonicContact ND1-OE2 3.86Å; H749-E752 PolarHBondContact ND1-OE2 2.99Å; H749-E752 PolarHBondContact O-N 3.41Å; H749-I753 WeakPolarHBondContact O-CB 3.43Å; H749-I753 WeakPolarHBondContact O-CD1 3.31Å; H749-I753 WeakPolarHBondContact O-CG1 3.35Å; H749-I753 PolarHBondContact O-N 3.47Å |
| 750 | H | 90.3 | Very high | 90.4 | Very high | 121 Ų | 121 | 104 Ų | 104 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -40.7 | 175.4 | -164.7 | 68.6 | 0 | 0 | 0 | 111.6 | E746 I747 E748 I753 I754 | E746-H750 VanDerWaalsContact O-CB 3.26Å; E746-H750 WeakPolarHBondContact O-CB 3.28Å; E746-H750 PolarHBondContact O-N 2.9Å; I747-H750 PolarHBondContact O-N 3.21Å; E748-H750 VanDerWaalsContact C-N 3.32Å; E748-H750 PolarHBondContact O-N 3.26Å; H750-I753 PolarHBondContact O-N 3.18Å; H750-I754 VanDerWaalsContact O-CG1 3.26Å; H750-I754 WeakPolarHBondContact O-CG1 3.49Å; H750-I754 PolarHBondContact O-N 3.42Å |
| 751 | E | 91.9 | Very high | 90.5 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -40 | 174.4 | -72.6 | -174 | -177.7 | 0 | 0 | 112.7 | I747 E748 H749 I754 K755 | I747-E751 WeakPolarHBondContact O-CG 3.46Å; I747-E751 PolarHBondContact O-N 3.03Å; E748-E751 PolarHBondContact O-N 3.05Å; H749-E751 VanDerWaalsContact C-N 3.34Å; H749-E751 PolarHBondContact O-N 2.95Å; E751-I754 PolarHBondContact O-N 3.44Å; E751-K755 WeakPolarHBondContact O-CB 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.46Å; E751-K755 PolarHBondContact O-N 2.73Å |
| 752 | E | 89.4 | Confident | 90.7 | Very high | 91 Ų | 91 | 101.2 Ų | 101.2 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 173.8 | -72.6 | 179.8 | 154.1 | 0 | 0 | 112 | E748 H749 I754 K755 T756 | E748-E752 WeakPolarHBondContact O-CG 3.26Å; E748-E752 PolarHBondContact O-N 3.32Å; H749-E752 IonicContact ND1-OE2 3.86Å; H749-E752 PolarHBondContact ND1-OE2 2.99Å; H749-E752 PolarHBondContact O-N 3.41Å; E752-I754 VanDerWaalsContact C-N 3.34Å; E752-I754 PolarHBondContact O-N 3.45Å; E752-K755 PolarHBondContact O-N 2.83Å; E752-T756 WeakPolarHBondContact O-CB 3.48Å; E752-T756 WeakPolarHBondContact O-CG2 3.46Å; E752-T756 PolarHBondContact O-N 3.25Å; E752-T756 PolarHBondContact O-OG1 3.21Å |
| 753 | I | 90.1 | Very high | 91 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 175.4 | -70.4 | 165.5 | 0 | 0 | 0 | 110.5 | H749 H750 T756 K757 | H749-I753 WeakPolarHBondContact O-CB 3.43Å; H749-I753 WeakPolarHBondContact O-CD1 3.31Å; H749-I753 WeakPolarHBondContact O-CG1 3.35Å; H749-I753 PolarHBondContact O-N 3.47Å; H750-I753 PolarHBondContact O-N 3.18Å; I753-T756 VanDerWaalsContact CA-OG1 3.31Å; I753-T756 WeakPolarHBondContact CA-OG1 3.29Å; I753-T756 PolarHBondContact O-OG1 2.81Å; I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 PolarHBondContact O-N 3.07Å |
| 754 | I | 92.2 | Very high | 91 | Very high | 92 Ų | 92 | 104 Ų | 104 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.4 | -70.6 | 166 | 0 | 0 | 0 | 110.6 | H750 E751 E752 K757 S758 | H750-I754 VanDerWaalsContact O-CG1 3.26Å; H750-I754 WeakPolarHBondContact O-CG1 3.49Å; H750-I754 PolarHBondContact O-N 3.42Å; E751-I754 PolarHBondContact O-N 3.44Å; E752-I754 VanDerWaalsContact C-N 3.34Å; E752-I754 PolarHBondContact O-N 3.45Å; I754-K757 PolarHBondContact O-N 2.71Å; I754-S758 WeakPolarHBondContact O-CB 3.47Å; I754-S758 PolarHBondContact O-N 3.09Å |
| 755 | K | 92.7 | Very high | 91.1 | Very high | 138 Ų | 138 | 104.7 Ų | 104.7 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 178.2 | -78.4 | 172.5 | -175 | 164.7 | 0 | 112.1 | E751 E752 S758 L759 | E751-K755 WeakPolarHBondContact O-CB 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.46Å; E751-K755 PolarHBondContact O-N 2.73Å; E752-K755 PolarHBondContact O-N 2.83Å; K755-S758 WeakPolarHBondContact O-CB 3.12Å; K755-S758 PolarHBondContact O-N 3.46Å; K755-L759 WeakPolarHBondContact O-CB 3.25Å; K755-L759 PolarHBondContact O-N 3.39Å |
| 756 | T | 89.6 | Confident | 91.4 | Very high | 74 Ų | 74 | 107.6 Ų | 107.6 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 178.1 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | E752 I753 S758 L759 I760 | E752-T756 WeakPolarHBondContact O-CB 3.48Å; E752-T756 WeakPolarHBondContact O-CG2 3.46Å; E752-T756 PolarHBondContact O-N 3.25Å; E752-T756 PolarHBondContact O-OG1 3.21Å; I753-T756 VanDerWaalsContact CA-OG1 3.31Å; I753-T756 WeakPolarHBondContact CA-OG1 3.29Å; I753-T756 PolarHBondContact O-OG1 2.81Å; T756-S758 VanDerWaalsContact C-N 3.33Å; T756-S758 PolarHBondContact O-N 3.46Å; T756-L759 PolarHBondContact O-N 3.45Å; T756-I760 WeakPolarHBondContact O-CB 3.44Å; T756-I760 VanDerWaalsContact O-CG1 3.27Å; T756-I760 WeakPolarHBondContact O-CG1 3.12Å; T756-I760 PolarHBondContact O-N 3.29Å |
| 757 | K | 90.8 | Very high | 91.7 | Very high | 146 Ų | 146 | 107.6 Ų | 107.6 | 64% | 0.635 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 173.3 | -174.6 | 178.2 | 179.4 | 179.7 | 0 | 112 | I753 I754 Q761 | I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 PolarHBondContact O-N 3.07Å; I754-K757 PolarHBondContact O-N 2.71Å; K757-Q761 VanDerWaalsContact O-CB 3.22Å; K757-Q761 WeakPolarHBondContact O-CB 3.11Å; K757-Q761 PolarHBondContact O-N 3.02Å |
| 758 | S | 93 | Very high | 91.7 | Very high | 56 Ų | 56 | 109 Ų | 109 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 173.9 | 155.8 | 0 | 0 | 0 | 0 | 111.8 | I754 K755 T756 Q761 N762 | I754-S758 WeakPolarHBondContact O-CB 3.47Å; I754-S758 PolarHBondContact O-N 3.09Å; K755-S758 WeakPolarHBondContact O-CB 3.12Å; K755-S758 PolarHBondContact O-N 3.46Å; T756-S758 VanDerWaalsContact C-N 3.33Å; T756-S758 PolarHBondContact O-N 3.46Å; S758-Q761 PolarHBondContact O-N 2.67Å; S758-N762 WeakPolarHBondContact O-CB 3.37Å; S758-N762 VanDerWaalsContact O-CG 3.23Å; S758-N762 PolarHBondContact O-N 2.96Å; S758-N762 PolarHBondContact O-ND2 3.07Å |
| 759 | L | 93.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 108.1 Ų | 108.1 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -50.9 | 179.7 | -176.1 | 67 | 0 | 0 | 0 | 111.1 | K755 T756 Q761 N762 E763 | K755-L759 WeakPolarHBondContact O-CB 3.25Å; K755-L759 PolarHBondContact O-N 3.39Å; T756-L759 PolarHBondContact O-N 3.45Å; L759-Q761 VanDerWaalsContact C-N 3.35Å; L759-Q761 PolarHBondContact O-N 2.89Å; L759-N762 PolarHBondContact O-N 2.89Å; L759-N762 VanDerWaalsContact O-N 3.14Å; L759-E763 WeakPolarHBondContact O-CG 3.48Å; L759-E763 PolarHBondContact O-N 3.43Å |
| 760 | I | 91 | Very high | 92.1 | Very high | 84 Ų | 84 | 106.9 Ų | 106.9 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.7 | -49.6 | 176.3 | -67.7 | 168.2 | 0 | 0 | 0 | 109.4 | T756 N762 E763 W764 | T756-I760 WeakPolarHBondContact O-CB 3.44Å; T756-I760 VanDerWaalsContact O-CG1 3.27Å; T756-I760 WeakPolarHBondContact O-CG1 3.12Å; T756-I760 PolarHBondContact O-N 3.29Å; I760-N762 VanDerWaalsContact C-N 3.26Å; I760-N762 PolarHBondContact O-N 2.77Å; I760-E763 PolarHBondContact O-N 3.08Å; I760-E763 VanDerWaalsContact O-N 3.14Å; I760-W764 PolarHBondContact O-N 2.81Å |
| 761 | Q | 92.4 | Very high | 92.3 | Very high | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.5 | -38.9 | 178.6 | -175.7 | 174 | 1.1 | 0 | 0 | 112.6 | K757 S758 L759 K765 | K757-Q761 VanDerWaalsContact O-CB 3.22Å; K757-Q761 WeakPolarHBondContact O-CB 3.11Å; K757-Q761 PolarHBondContact O-N 3.02Å; S758-Q761 PolarHBondContact O-N 2.67Å; L759-Q761 VanDerWaalsContact C-N 3.35Å; L759-Q761 PolarHBondContact O-N 2.89Å; Q761-K765 VanDerWaalsContact O-CB 3.23Å; Q761-K765 WeakPolarHBondContact O-CB 3.39Å; Q761-K765 PolarHBondContact O-N 3.07Å |
| 762 | N | 93.1 | Very high | 92.3 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 176.4 | -71.7 | -25.6 | 0 | 0 | 0 | 112.6 | S758 L759 I760 K765 M766 | S758-N762 WeakPolarHBondContact O-CB 3.37Å; S758-N762 VanDerWaalsContact O-CG 3.23Å; S758-N762 PolarHBondContact O-N 2.96Å; S758-N762 PolarHBondContact O-ND2 3.07Å; L759-N762 PolarHBondContact O-N 2.89Å; L759-N762 VanDerWaalsContact O-N 3.14Å; I760-N762 VanDerWaalsContact C-N 3.26Å; I760-N762 PolarHBondContact O-N 2.77Å; N762-K765 PolarHBondContact O-N 3.1Å; N762-M766 WeakPolarHBondContact O-CB 3.45Å; N762-M766 PolarHBondContact O-N 2.76Å |
| 763 | E | 92.2 | Very high | 92.4 | Very high | 96 Ų | 96 | 103.1 Ų | 103.1 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -48 | 175.4 | -73.6 | 177.6 | 168.8 | 0 | 0 | 111.5 | L759 I760 K765 M766 I767 | L759-E763 WeakPolarHBondContact O-CG 3.48Å; L759-E763 PolarHBondContact O-N 3.43Å; I760-E763 PolarHBondContact O-N 3.08Å; I760-E763 VanDerWaalsContact O-N 3.14Å; E763-K765 VanDerWaalsContact C-N 3.31Å; E763-K765 PolarHBondContact O-N 3.04Å; E763-M766 PolarHBondContact O-N 3.37Å; E763-I767 VanDerWaalsContact O-CG1 3.29Å; E763-I767 WeakPolarHBondContact O-CG1 3.38Å; E763-I767 PolarHBondContact O-N 2.65Å |
| 764 | W | 90.8 | Very high | 92.6 | Very high | 176 Ų | 176 | 103 Ų | 103 | 67% | 0.667 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 176.1 | -81.4 | 90.4 | 0 | 0 | 0 | 111.8 | I760 I767 M768 | I760-W764 PolarHBondContact O-N 2.81Å; W764-I767 PolarHBondContact O-N 3.29Å; W764-M768 VanDerWaalsContact O-CB 3.27Å; W764-M768 WeakPolarHBondContact O-CB 3.38Å; W764-M768 PolarHBondContact O-N 3.29Å |
| 765 | K | 93.7 | Very high | 92.6 | Very high | 127 Ų | 127 | 102.7 Ų | 102.7 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 174.5 | -175.9 | 179.5 | 177.8 | -174.2 | 0 | 111.3 | Q761 N762 E763 I767 M768 D769 | Q761-K765 VanDerWaalsContact O-CB 3.23Å; Q761-K765 WeakPolarHBondContact O-CB 3.39Å; Q761-K765 PolarHBondContact O-N 3.07Å; N762-K765 PolarHBondContact O-N 3.1Å; E763-K765 VanDerWaalsContact C-N 3.31Å; E763-K765 PolarHBondContact O-N 3.04Å; K765-I767 PolarHBondContact O-N 3.47Å; K765-M768 PolarHBondContact O-N 3.01Å; K765-D769 WeakPolarHBondContact O-CB 3.35Å; K765-D769 PolarHBondContact O-N 2.94Å |
| 766 | M | 94.2 | Very high | 92.6 | Very high | 132 Ų | 132 | 100.7 Ų | 100.7 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 179.3 | -168.5 | -175.9 | 75.2 | 0 | 0 | 112.1 | N762 E763 D769 D770 | N762-M766 WeakPolarHBondContact O-CB 3.45Å; N762-M766 PolarHBondContact O-N 2.76Å; E763-M766 PolarHBondContact O-N 3.37Å; M766-D769 PolarHBondContact O-N 2.7Å; M766-D770 WeakPolarHBondContact O-CB 3.2Å; M766-D770 PolarHBondContact O-N 2.87Å |
| 767 | I | 94 | Very high | 92.8 | Very high | 104 Ų | 104 | 102.1 Ų | 102.1 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176 | -67 | 165 | 0 | 0 | 0 | 110.7 | E763 W764 K765 K771 | E763-I767 VanDerWaalsContact O-CG1 3.29Å; E763-I767 WeakPolarHBondContact O-CG1 3.38Å; E763-I767 PolarHBondContact O-N 2.65Å; W764-I767 PolarHBondContact O-N 3.29Å; K765-I767 PolarHBondContact O-N 3.47Å; I767-K771 WeakPolarHBondContact O-CB 3.32Å; I767-K771 PolarHBondContact O-N 3.21Å |
| 768 | M | 91.6 | Very high | 92.7 | Very high | 117 Ų | 117 | 99.7 Ų | 99.7 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 177.3 | -173.1 | 179.7 | -70.3 | 0 | 0 | 111.1 | W764 K765 K771 I772 | W764-M768 VanDerWaalsContact O-CB 3.27Å; W764-M768 WeakPolarHBondContact O-CB 3.38Å; W764-M768 PolarHBondContact O-N 3.29Å; K765-M768 PolarHBondContact O-N 3.01Å; M768-K771 PolarHBondContact O-N 3.25Å; M768-I772 HydrophobicContact CG-CD1 3.87Å; M768-I772 WeakPolarHBondContact O-CB 3.33Å; M768-I772 VanDerWaalsContact O-CG1 3.24Å; M768-I772 WeakPolarHBondContact O-CG1 3.44Å; M768-I772 PolarHBondContact O-N 2.82Å |
| 769 | D | 93.7 | Very high | 92.6 | Very high | 85 Ų | 85 | 101.2 Ų | 101.2 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178 | -71.2 | -19.1 | 0 | 0 | 0 | 111.2 | K765 M766 I772 A773 | K765-D769 WeakPolarHBondContact O-CB 3.35Å; K765-D769 PolarHBondContact O-N 2.94Å; M766-D769 PolarHBondContact O-N 2.7Å; D769-I772 PolarHBondContact O-N 2.79Å; D769-A773 WeakPolarHBondContact O-CB 3.36Å; D769-A773 PolarHBondContact O-N 2.81Å |
| 770 | D | 93.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 99 Ų | 99 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.8 | 177.2 | 65.5 | 0 | 0 | 0 | 112 | M766 A773 K774 | M766-D770 WeakPolarHBondContact O-CB 3.2Å; M766-D770 PolarHBondContact O-N 2.87Å; D770-A773 PolarHBondContact O-N 3.47Å; D770-K774 WeakPolarHBondContact O-CG 3.04Å; D770-K774 PolarHBondContact O-N 2.8Å; D770-K774 WeakPolarHBondContact OD1-CE 3.36Å; D770-K774 IonicContact OD1-NZ 3.63Å; D770-K774 PolarHBondContact OD1-NZ 3.17Å; D770-K774 WeakPolarHBondContact OD2-CE 3.33Å; D770-K774 IonicContact OD2-NZ 3.39Å; D770-K774 PolarHBondContact OD2-NZ 2.7Å |
| 771 | K | 94.9 | Very high | 92.6 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 177.9 | -172.6 | 57.7 | 176.9 | 173.6 | 0 | 112 | I767 M768 L775 | I767-K771 WeakPolarHBondContact O-CB 3.32Å; I767-K771 PolarHBondContact O-N 3.21Å; M768-K771 PolarHBondContact O-N 3.25Å; K771-L775 HydrophobicContact CG-CD1 4.39Å; K771-L775 WeakPolarHBondContact O-CB 3.07Å; K771-L775 WeakPolarHBondContact O-CG 3.13Å; K771-L775 PolarHBondContact O-N 2.8Å |
| 772 | I | 91 | Very high | 92.5 | Very high | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 174.1 | -70.7 | 167.3 | 0 | 0 | 0 | 110.1 | M768 D769 L775 N776 | M768-I772 HydrophobicContact CG-CD1 3.87Å; M768-I772 WeakPolarHBondContact O-CB 3.33Å; M768-I772 VanDerWaalsContact O-CG1 3.24Å; M768-I772 WeakPolarHBondContact O-CG1 3.44Å; M768-I772 PolarHBondContact O-N 2.82Å; D769-I772 PolarHBondContact O-N 2.79Å; I772-L775 PolarHBondContact O-N 3.48Å; I772-N776 WeakPolarHBondContact O-CB 3.31Å; I772-N776 PolarHBondContact O-N 2.96Å; I772-N776 PolarHBondContact O-ND2 2.69Å |
| 773 | A | 92.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 99.9 Ų | 99.9 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D769 D770 L775 N776 D777 | D769-A773 WeakPolarHBondContact O-CB 3.36Å; D769-A773 PolarHBondContact O-N 2.81Å; D770-A773 PolarHBondContact O-N 3.47Å; A773-L775 PolarHBondContact O-N 2.91Å; A773-N776 WeakPolarHBondContact O-CB 3.34Å; A773-N776 PolarHBondContact O-N 3.41Å; A773-N776 VanDerWaalsContact O-N 3.12Å; A773-D777 PolarHBondContact O-N 2.94Å |
| 774 | K | 93.2 | Very high | 92.4 | Very high | 102 Ų | 102 | 100 Ų | 100 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 176.7 | -74.9 | 170.8 | 180 | 161.7 | 0 | 112.9 | D770 N776 D777 E778 | D770-K774 WeakPolarHBondContact O-CG 3.04Å; D770-K774 PolarHBondContact O-N 2.8Å; D770-K774 WeakPolarHBondContact OD1-CE 3.36Å; D770-K774 IonicContact OD1-NZ 3.63Å; D770-K774 PolarHBondContact OD1-NZ 3.17Å; D770-K774 WeakPolarHBondContact OD2-CE 3.33Å; D770-K774 IonicContact OD2-NZ 3.39Å; D770-K774 PolarHBondContact OD2-NZ 2.7Å; K774-N776 VanDerWaalsContact C-N 3.32Å; K774-N776 PolarHBondContact O-N 2.89Å; K774-D777 PolarHBondContact O-N 2.79Å; K774-E778 WeakPolarHBondContact O-CB 3.47Å; K774-E778 WeakPolarHBondContact O-CG 3.45Å; K774-E778 PolarHBondContact O-N 3.42Å |
| 775 | L | 92.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 98.5 Ų | 98.5 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 176.8 | -76.7 | 173.3 | 0 | 0 | 0 | 112.2 | K771 I772 A773 N779 | K771-L775 HydrophobicContact CG-CD1 4.39Å; K771-L775 WeakPolarHBondContact O-CB 3.07Å; K771-L775 WeakPolarHBondContact O-CG 3.13Å; K771-L775 PolarHBondContact O-N 2.8Å; I772-L775 PolarHBondContact O-N 3.48Å; A773-L775 PolarHBondContact O-N 2.91Å; L775-N779 WeakPolarHBondContact O-CB 3.29Å; L775-N779 PolarHBondContact O-N 3.34Å |
| 776 | N | 92.9 | Very high | 92.5 | Very high | 95 Ų | 95 | 95 Ų | 95 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 176.1 | -73.1 | -21.5 | 0 | 0 | 0 | 111.6 | I772 A773 K774 N779 A780 | I772-N776 WeakPolarHBondContact O-CB 3.31Å; I772-N776 PolarHBondContact O-N 2.96Å; I772-N776 PolarHBondContact O-ND2 2.69Å; A773-N776 WeakPolarHBondContact O-CB 3.34Å; A773-N776 PolarHBondContact O-N 3.41Å; A773-N776 VanDerWaalsContact O-N 3.12Å; K774-N776 VanDerWaalsContact C-N 3.32Å; K774-N776 PolarHBondContact O-N 2.89Å; N776-N779 PolarHBondContact O-N 3.39Å; N776-A780 WeakPolarHBondContact O-CB 3.29Å; N776-A780 PolarHBondContact O-N 3.49Å |
| 777 | D | 92.7 | Very high | 92.3 | Very high | 105 Ų | 105 | 92.7 Ų | 92.7 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.8 | -46.5 | 177.1 | -67.5 | -19.8 | 0 | 0 | 0 | 111.3 | A773 K774 N779 A780 D781 | A773-D777 PolarHBondContact O-N 2.94Å; K774-D777 PolarHBondContact O-N 2.79Å; D777-N779 VanDerWaalsContact C-N 3.26Å; D777-N779 PolarHBondContact O-N 3.43Å; D777-A780 PolarHBondContact O-N 3.44Å; D777-D781 PolarHBondContact O-N 3.28Å |
| 778 | E | 90.3 | Very high | 92.3 | Very high | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 174.6 | -75.2 | 177.2 | -158.3 | 0 | 0 | 112.2 | K774 K782 | K774-E778 WeakPolarHBondContact O-CB 3.47Å; K774-E778 WeakPolarHBondContact O-CG 3.45Å; K774-E778 PolarHBondContact O-N 3.42Å; E778-K782 WeakPolarHBondContact O-CB 3.38Å; E778-K782 WeakPolarHBondContact O-CD 3.19Å; E778-K782 WeakPolarHBondContact O-CG 3.44Å; E778-K782 PolarHBondContact O-N 2.86Å |
| 779 | N | 90.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 91.6 Ų | 91.6 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 176.6 | -171.1 | 42.8 | 0 | 0 | 0 | 111.4 | L775 N776 D777 D781 K782 I783 | L775-N779 WeakPolarHBondContact O-CB 3.29Å; L775-N779 PolarHBondContact O-N 3.34Å; N776-N779 PolarHBondContact O-N 3.39Å; D777-N779 VanDerWaalsContact C-N 3.26Å; D777-N779 PolarHBondContact O-N 3.43Å; N779-D781 VanDerWaalsContact C-N 3.35Å; N779-D781 PolarHBondContact O-N 3.4Å; N779-K782 PolarHBondContact O-N 2.85Å; N779-I783 WeakPolarHBondContact O-CB 3.4Å; N779-I783 VanDerWaalsContact O-CG1 3.23Å; N779-I783 WeakPolarHBondContact O-CG1 3.49Å; N779-I783 PolarHBondContact O-N 3.31Å |
| 780 | A | 92 | Very high | 92.1 | Very high | 52 Ų | 52 | 92.3 Ų | 92.3 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N776 D777 I783 Q784 | N776-A780 WeakPolarHBondContact O-CB 3.29Å; N776-A780 PolarHBondContact O-N 3.49Å; D777-A780 PolarHBondContact O-N 3.44Å; A780-I783 PolarHBondContact O-N 2.82Å; A780-Q784 WeakPolarHBondContact O-CB 3.49Å; A780-Q784 PolarHBondContact O-N 3.32Å |
| 781 | D | 92.2 | Very high | 92 | Very high | 101 Ų | 101 | 91.4 Ų | 91.4 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.1 | -88.9 | 3.6 | 0 | 0 | 0 | 112.7 | D777 N779 Q784 K785 | D777-D781 PolarHBondContact O-N 3.28Å; N779-D781 VanDerWaalsContact C-N 3.35Å; N779-D781 PolarHBondContact O-N 3.4Å; D781-Q784 PolarHBondContact O-N 2.89Å; D781-K785 WeakPolarHBondContact O-CB 3.44Å; D781-K785 WeakPolarHBondContact O-CG 3.41Å; D781-K785 PolarHBondContact O-N 3.35Å |
| 782 | K | 91.5 | Very high | 91.9 | Very high | 133 Ų | 133 | 92.2 Ų | 92.2 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 175.9 | -76.3 | 167.8 | -173.3 | 165.2 | 0 | 111.3 | E778 N779 A786 | E778-K782 WeakPolarHBondContact O-CB 3.38Å; E778-K782 WeakPolarHBondContact O-CD 3.19Å; E778-K782 WeakPolarHBondContact O-CG 3.44Å; E778-K782 PolarHBondContact O-N 2.86Å; N779-K782 PolarHBondContact O-N 2.85Å; K782-A786 WeakPolarHBondContact O-CB 3.45Å; K782-A786 PolarHBondContact O-N 2.87Å |
| 783 | I | 91.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 91.6 Ų | 91.6 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 176.6 | -68.7 | 166.5 | 0 | 0 | 0 | 110.1 | N779 A780 K785 A786 V787 | N779-I783 WeakPolarHBondContact O-CB 3.4Å; N779-I783 VanDerWaalsContact O-CG1 3.23Å; N779-I783 WeakPolarHBondContact O-CG1 3.49Å; N779-I783 PolarHBondContact O-N 3.31Å; A780-I783 PolarHBondContact O-N 2.82Å; I783-K785 PolarHBondContact O-N 3.21Å; I783-A786 PolarHBondContact O-N 3.47Å; I783-V787 HydrophobicContact CG2-CG2 4.34Å; I783-V787 VanDerWaalsContact O-CG2 3.31Å; I783-V787 WeakPolarHBondContact O-CG2 3.44Å; I783-V787 PolarHBondContact O-N 2.89Å |
| 784 | Q | 92.2 | Very high | 91.6 | Very high | 98 Ų | 98 | 92.8 Ų | 92.8 | 46% | 0.458 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 178.9 | -177.7 | 63.1 | 16.7 | 0 | 0 | 111.7 | A780 D781 A786 V787 E788 | A780-Q784 WeakPolarHBondContact O-CB 3.49Å; A780-Q784 PolarHBondContact O-N 3.32Å; D781-Q784 PolarHBondContact O-N 2.89Å; Q784-A786 VanDerWaalsContact C-N 3.31Å; Q784-A786 PolarHBondContact O-N 3.28Å; Q784-V787 PolarHBondContact O-N 2.92Å; Q784-E788 WeakPolarHBondContact CG-OE1 3.31Å; Q784-E788 PolarHBondContact NE2-OE1 3.38Å; Q784-E788 WeakPolarHBondContact O-CG 3.43Å; Q784-E788 PolarHBondContact O-N 2.88Å |
| 785 | K | 93.3 | Very high | 91.4 | Very high | 144 Ų | 144 | 91.2 Ų | 91.2 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | 175.5 | -75 | 176 | -178.6 | 172.4 | 0 | 112.5 | D781 I783 E788 E789 | D781-K785 WeakPolarHBondContact O-CB 3.44Å; D781-K785 WeakPolarHBondContact O-CG 3.41Å; D781-K785 PolarHBondContact O-N 3.35Å; I783-K785 PolarHBondContact O-N 3.21Å; K785-E788 PolarHBondContact O-N 3.39Å; K785-E789 WeakPolarHBondContact O-CB 3.41Å; K785-E789 PolarHBondContact O-N 3.45Å |
| 786 | A | 91.8 | Very high | 91.5 | Very high | 54 Ų | 54 | 91.3 Ų | 91.3 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K782 I783 Q784 V790 | K782-A786 WeakPolarHBondContact O-CB 3.45Å; K782-A786 PolarHBondContact O-N 2.87Å; I783-A786 PolarHBondContact O-N 3.47Å; Q784-A786 VanDerWaalsContact C-N 3.31Å; Q784-A786 PolarHBondContact O-N 3.28Å; A786-V790 WeakPolarHBondContact O-CB 3.41Å; A786-V790 VanDerWaalsContact O-CG2 3.25Å; A786-V790 WeakPolarHBondContact O-CG2 3.45Å; A786-V790 PolarHBondContact O-N 2.77Å |
| 787 | V | 91.5 | Very high | 91.4 | Very high | 84 Ų | 84 | 92.4 Ų | 92.4 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | I783 Q784 V790 A791 | I783-V787 HydrophobicContact CG2-CG2 4.34Å; I783-V787 VanDerWaalsContact O-CG2 3.31Å; I783-V787 WeakPolarHBondContact O-CG2 3.44Å; I783-V787 PolarHBondContact O-N 2.89Å; Q784-V787 PolarHBondContact O-N 2.92Å; V787-V790 PolarHBondContact O-N 3.44Å; V787-A791 WeakPolarHBondContact O-CB 3.44Å; V787-A791 PolarHBondContact O-N 2.84Å |
| 788 | E | 92.8 | Very high | 91.3 | Very high | 108 Ų | 108 | 92 Ų | 92 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.9 | -74.8 | 171.5 | -172.1 | 0 | 0 | 112.1 | Q784 K785 A791 R792 | Q784-E788 WeakPolarHBondContact CG-OE1 3.31Å; Q784-E788 PolarHBondContact NE2-OE1 3.38Å; Q784-E788 WeakPolarHBondContact O-CG 3.43Å; Q784-E788 PolarHBondContact O-N 2.88Å; K785-E788 PolarHBondContact O-N 3.39Å; E788-A791 PolarHBondContact O-N 3.31Å; E788-R792 WeakPolarHBondContact O-CB 3.36Å; E788-R792 PolarHBondContact O-N 2.83Å |
| 789 | E | 91.7 | Very high | 91.4 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.3 | 180 | 57.8 | -165.5 | 0 | 0 | 111.7 | K785 A791 R792 V793 | K785-E789 WeakPolarHBondContact O-CB 3.41Å; K785-E789 PolarHBondContact O-N 3.45Å; E789-A791 VanDerWaalsContact C-N 3.33Å; E789-A791 PolarHBondContact O-N 2.88Å; E789-R792 PolarHBondContact O-N 3.3Å; E789-R792 IonicContact OE1-CZ 2.96Å; E789-R792 IonicContact OE1-NE 3.97Å; E789-R792 IonicContact OE1-NH2 3.98Å; E789-R792 PolarHBondContact OE1-NH2 2.86Å; E789-R792 IonicContact OE2-CZ 2.93Å; E789-R792 IonicContact OE2-NE 3.98Å; E789-R792 PolarHBondContact OE2-NE 3.44Å; E789-R792 IonicContact OE2-NH2 2.74Å; E789-R792 PolarHBondContact OE2-NH2 3.1Å; E789-V793 WeakPolarHBondContact O-CG2 3.27Å; E789-V793 PolarHBondContact O-N 3.07Å |
| 790 | V | 90.5 | Very high | 91.5 | Very high | 101 Ų | 101 | 95.5 Ų | 95.5 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 174 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | A786 V787 R792 V793 E794 | A786-V790 WeakPolarHBondContact O-CB 3.41Å; A786-V790 VanDerWaalsContact O-CG2 3.25Å; A786-V790 WeakPolarHBondContact O-CG2 3.45Å; A786-V790 PolarHBondContact O-N 2.77Å; V787-V790 PolarHBondContact O-N 3.44Å; V790-R792 PolarHBondContact O-N 3.47Å; V790-V793 PolarHBondContact O-N 3.45Å; V790-E794 WeakPolarHBondContact O-CB 3.39Å; V790-E794 PolarHBondContact O-N 2.63Å |
| 791 | A | 91 | Very high | 91.5 | Very high | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V787 E788 E789 S795 | V787-A791 WeakPolarHBondContact O-CB 3.44Å; V787-A791 PolarHBondContact O-N 2.84Å; E788-A791 PolarHBondContact O-N 3.31Å; E789-A791 VanDerWaalsContact C-N 3.33Å; E789-A791 PolarHBondContact O-N 2.88Å; A791-S795 VanDerWaalsContact O-CB 3.29Å; A791-S795 WeakPolarHBondContact O-CB 3.47Å; A791-S795 PolarHBondContact O-N 2.8Å |
| 792 | R | 92.9 | Very high | 91.4 | Very high | 131 Ų | 131 | 97.2 Ų | 97.2 | 49% | 0.494 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 176.7 | -170.3 | -169.3 | 71.1 | 76.8 | 1.2 | 111.7 | E788 E789 V790 S795 M796 | E788-R792 WeakPolarHBondContact O-CB 3.36Å; E788-R792 PolarHBondContact O-N 2.83Å; E789-R792 PolarHBondContact O-N 3.3Å; E789-R792 IonicContact OE1-CZ 2.96Å; E789-R792 IonicContact OE1-NE 3.97Å; E789-R792 IonicContact OE1-NH2 3.98Å; E789-R792 PolarHBondContact OE1-NH2 2.86Å; E789-R792 IonicContact OE2-CZ 2.93Å; E789-R792 IonicContact OE2-NE 3.98Å; E789-R792 PolarHBondContact OE2-NE 3.44Å; E789-R792 IonicContact OE2-NH2 2.74Å; E789-R792 PolarHBondContact OE2-NH2 3.1Å; V790-R792 PolarHBondContact O-N 3.47Å; R792-S795 PolarHBondContact O-N 2.86Å; R792-M796 PolarHBondContact O-N 2.77Å |
| 793 | V | 90.8 | Very high | 91.5 | Very high | 67 Ų | 67 | 94.3 Ų | 94.3 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | E789 V790 M796 R797 | E789-V793 WeakPolarHBondContact O-CG2 3.27Å; E789-V793 PolarHBondContact O-N 3.07Å; V790-V793 PolarHBondContact O-N 3.45Å; V793-M796 PolarHBondContact O-N 2.87Å; V793-R797 WeakPolarHBondContact O-CB 3.09Å; V793-R797 PolarHBondContact O-N 3.35Å |
| 794 | E | 86.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 93.6 Ų | 93.6 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 179.4 | -176.1 | 55.6 | -156.2 | 0 | 0 | 112 | V790 R797 Q798 | V790-E794 WeakPolarHBondContact O-CB 3.39Å; V790-E794 PolarHBondContact O-N 2.63Å; E794-R797 PolarHBondContact O-N 2.9Å; E794-R797 IonicContact OE1-CZ 2.82Å; E794-R797 IonicContact OE1-NE 2.86Å; E794-R797 PolarHBondContact OE1-NE 3.18Å; E794-R797 IonicContact OE1-NH2 3.78Å; E794-R797 PolarHBondContact OE1-NH2 3.26Å; E794-R797 IonicContact OE2-CZ 2.8Å; E794-R797 IonicContact OE2-NE 2.68Å; E794-R797 PolarHBondContact OE2-NE 3.4Å; E794-R797 IonicContact OE2-NH2 3.76Å; E794-Q798 WeakPolarHBondContact O-CB 3.44Å; E794-Q798 VanDerWaalsContact O-CG 3.28Å; E794-Q798 WeakPolarHBondContact O-CG 3.47Å; E794-Q798 PolarHBondContact O-N 3.02Å; E794-Q798 PolarHBondContact OE1-NE2 3.22Å |
| 795 | S | 90.4 | Very high | 91.4 | Very high | 70 Ų | 70 | 94.1 Ų | 94.1 | 49% | 0.49 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | A791 R792 R797 Q798 E799 | A791-S795 VanDerWaalsContact O-CB 3.29Å; A791-S795 WeakPolarHBondContact O-CB 3.47Å; A791-S795 PolarHBondContact O-N 2.8Å; R792-S795 PolarHBondContact O-N 2.86Å; S795-R797 VanDerWaalsContact C-N 3.32Å; S795-R797 PolarHBondContact O-N 2.98Å; S795-Q798 PolarHBondContact O-N 3.17Å; S795-E799 PolarHBondContact O-N 2.89Å |
| 796 | M | 93.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 89.9 Ų | 89.9 | 42% | 0.424 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 177.1 | -173.2 | 168.1 | 65.4 | 0 | 0 | 111.9 | R792 V793 E799 Q800 | R792-M796 PolarHBondContact O-N 2.77Å; V793-M796 PolarHBondContact O-N 2.87Å; M796-E799 PolarHBondContact O-N 3.27Å; M796-Q800 WeakPolarHBondContact O-CB 3.41Å; M796-Q800 WeakPolarHBondContact O-CG 3.28Å; M796-Q800 PolarHBondContact O-N 3.09Å |
| 797 | R | 91.7 | Very high | 91.3 | Very high | 118 Ų | 118 | 90.5 Ų | 90.5 | 45% | 0.445 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175 | -167.7 | -168.8 | 73 | 76.1 | 0.8 | 111.8 | V793 E794 S795 L801 | V793-R797 WeakPolarHBondContact O-CB 3.09Å; V793-R797 PolarHBondContact O-N 3.35Å; E794-R797 PolarHBondContact O-N 2.9Å; E794-R797 IonicContact OE1-CZ 2.82Å; E794-R797 IonicContact OE1-NE 2.86Å; E794-R797 PolarHBondContact OE1-NE 3.18Å; E794-R797 IonicContact OE1-NH2 3.78Å; E794-R797 PolarHBondContact OE1-NH2 3.26Å; E794-R797 IonicContact OE2-CZ 2.8Å; E794-R797 IonicContact OE2-NE 2.68Å; E794-R797 PolarHBondContact OE2-NE 3.4Å; E794-R797 IonicContact OE2-NH2 3.76Å; S795-R797 VanDerWaalsContact C-N 3.32Å; S795-R797 PolarHBondContact O-N 2.98Å; R797-L801 VanDerWaalsContact O-CB 3.25Å; R797-L801 WeakPolarHBondContact O-CB 3.34Å; R797-L801 PolarHBondContact O-N 3.27Å |
| 798 | Q | 89.9 | Confident | 91.2 | Very high | 98 Ų | 98 | 90.5 Ų | 90.5 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 176.9 | -73.7 | 175.1 | 15.8 | 0 | 0 | 111.9 | E794 S795 L801 L802 | E794-Q798 WeakPolarHBondContact O-CB 3.44Å; E794-Q798 VanDerWaalsContact O-CG 3.28Å; E794-Q798 WeakPolarHBondContact O-CG 3.47Å; E794-Q798 PolarHBondContact O-N 3.02Å; E794-Q798 PolarHBondContact OE1-NE2 3.22Å; S795-Q798 PolarHBondContact O-N 3.17Å; Q798-L801 PolarHBondContact O-N 2.88Å; Q798-L802 WeakPolarHBondContact O-CB 3.34Å; Q798-L802 VanDerWaalsContact O-CG 3.29Å; Q798-L802 WeakPolarHBondContact O-CG 3.4Å; Q798-L802 PolarHBondContact O-N 2.79Å |
| 799 | E | 93.2 | Very high | 91 | Very high | 139 Ų | 139 | 89.7 Ų | 89.7 | 65% | 0.65 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 176.6 | -171 | 174.5 | -169.3 | 0 | 0 | 112 | S795 M796 L801 L802 S803 | S795-E799 PolarHBondContact O-N 2.89Å; M796-E799 PolarHBondContact O-N 3.27Å; E799-L801 VanDerWaalsContact C-N 3.35Å; E799-L801 PolarHBondContact O-N 3.33Å; E799-L802 PolarHBondContact O-N 3.28Å; E799-S803 PolarHBondContact O-N 3.4Å |
| 800 | Q | 92.3 | Very high | 91.1 | Very high | 117 Ų | 117 | 91 Ų | 91 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 173.2 | -73 | 177.5 | -7.6 | 0 | 0 | 111.7 | M796 L802 S803 V804 | M796-Q800 WeakPolarHBondContact O-CB 3.41Å; M796-Q800 WeakPolarHBondContact O-CG 3.28Å; M796-Q800 PolarHBondContact O-N 3.09Å; Q800-L802 VanDerWaalsContact C-N 3.33Å; Q800-L802 PolarHBondContact O-N 2.73Å; Q800-S803 PolarHBondContact O-N 2.89Å; Q800-V804 WeakPolarHBondContact O-CG2 3.3Å; Q800-V804 PolarHBondContact O-N 3.23Å |
| 801 | L | 91.5 | Very high | 91.1 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 176.9 | -178.4 | 64.8 | 0 | 0 | 0 | 112 | R797 Q798 E799 K805 | R797-L801 VanDerWaalsContact O-CB 3.25Å; R797-L801 WeakPolarHBondContact O-CB 3.34Å; R797-L801 PolarHBondContact O-N 3.27Å; Q798-L801 PolarHBondContact O-N 2.88Å; E799-L801 VanDerWaalsContact C-N 3.35Å; E799-L801 PolarHBondContact O-N 3.33Å; L801-K805 HydrophobicContact CG-CD 4.22Å; L801-K805 WeakPolarHBondContact O-CB 3.41Å; L801-K805 WeakPolarHBondContact O-CG 3.4Å; L801-K805 PolarHBondContact O-N 3.22Å |
| 802 | L | 89.5 | Confident | 91 | Very high | 117 Ų | 117 | 93.9 Ų | 93.9 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.3 | -40.9 | 175.7 | -75.7 | 168.5 | 0 | 0 | 0 | 111.6 | Q798 E799 Q800 K805 A806 | Q798-L802 WeakPolarHBondContact O-CB 3.34Å; Q798-L802 VanDerWaalsContact O-CG 3.29Å; Q798-L802 WeakPolarHBondContact O-CG 3.4Å; Q798-L802 PolarHBondContact O-N 2.79Å; E799-L802 PolarHBondContact O-N 3.28Å; Q800-L802 VanDerWaalsContact C-N 3.33Å; Q800-L802 PolarHBondContact O-N 2.73Å; L802-K805 PolarHBondContact O-N 3.02Å; L802-A806 WeakPolarHBondContact O-CB 3.25Å; L802-A806 PolarHBondContact O-N 2.9Å |
| 803 | S | 93.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 92.2 Ų | 92.2 | 51% | 0.51 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 112 | E799 Q800 K805 A806 T807 | E799-S803 PolarHBondContact O-N 3.4Å; Q800-S803 PolarHBondContact O-N 2.89Å; S803-K805 PolarHBondContact O-N 3.15Å; S803-A806 PolarHBondContact O-N 2.97Å; S803-T807 PolarHBondContact O-N 2.98Å; S803-T807 PolarHBondContact O-OG1 3.3Å |
| 804 | V | 90.6 | Very high | 90.9 | Very high | 77 Ų | 77 | 92.5 Ų | 92.5 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 111 | Q800 A806 T807 I808 | Q800-V804 WeakPolarHBondContact O-CG2 3.3Å; Q800-V804 PolarHBondContact O-N 3.23Å; V804-A806 VanDerWaalsContact C-N 3.33Å; V804-A806 PolarHBondContact O-N 2.99Å; V804-T807 PolarHBondContact O-N 3.48Å; V804-T807 PolarHBondContact O-OG1 3.22Å; V804-I808 HydrophobicContact CG1-CD1 3.8Å; V804-I808 WeakPolarHBondContact O-CD1 3.48Å; V804-I808 VanDerWaalsContact O-CG1 3.25Å; V804-I808 WeakPolarHBondContact O-CG1 3.32Å; V804-I808 PolarHBondContact O-N 2.64Å |
| 805 | K | 91.8 | Very high | 91.2 | Very high | 108 Ų | 108 | 95 Ų | 95 | 47% | 0.47 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 175 | -76.8 | 175 | 177.9 | -177.8 | 0 | 112.4 | L801 L802 S803 I808 I809 | L801-K805 HydrophobicContact CG-CD 4.22Å; L801-K805 WeakPolarHBondContact O-CB 3.41Å; L801-K805 WeakPolarHBondContact O-CG 3.4Å; L801-K805 PolarHBondContact O-N 3.22Å; L802-K805 PolarHBondContact O-N 3.02Å; S803-K805 PolarHBondContact O-N 3.15Å; K805-I808 PolarHBondContact O-N 3.49Å; K805-I809 WeakPolarHBondContact O-CB 3.47Å; K805-I809 WeakPolarHBondContact O-CD1 3.17Å; K805-I809 WeakPolarHBondContact O-CG1 2.71Å; K805-I809 PolarHBondContact O-N 2.84Å |
| 806 | A | 92.1 | Very high | 91.1 | Very high | 56 Ų | 56 | 95.5 Ų | 95.5 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L802 S803 V804 I809 E810 | L802-A806 WeakPolarHBondContact O-CB 3.25Å; L802-A806 PolarHBondContact O-N 2.9Å; S803-A806 PolarHBondContact O-N 2.97Å; V804-A806 VanDerWaalsContact C-N 3.33Å; V804-A806 PolarHBondContact O-N 2.99Å; A806-I809 PolarHBondContact O-N 2.78Å; A806-E810 PolarHBondContact O-N 3.26Å |
| 807 | T | 90.9 | Very high | 91 | Very high | 66 Ų | 66 | 97.2 Ų | 97.2 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | S803 V804 I809 E810 E811 | S803-T807 PolarHBondContact O-N 2.98Å; S803-T807 PolarHBondContact O-OG1 3.3Å; V804-T807 PolarHBondContact O-N 3.48Å; V804-T807 PolarHBondContact O-OG1 3.22Å; T807-I809 PolarHBondContact O-N 2.77Å; T807-E810 PolarHBondContact O-N 3.35Å; T807-E811 WeakPolarHBondContact O-CG 3.15Å; T807-E811 PolarHBondContact O-N 3.22Å |
| 808 | I | 89.5 | Confident | 90.8 | Very high | 84 Ų | 84 | 97.1 Ų | 97.1 | 43% | 0.431 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.3 | -67.4 | 167.2 | 0 | 0 | 0 | 111.3 | V804 K805 E811 L812 | V804-I808 HydrophobicContact CG1-CD1 3.8Å; V804-I808 WeakPolarHBondContact O-CD1 3.48Å; V804-I808 VanDerWaalsContact O-CG1 3.25Å; V804-I808 WeakPolarHBondContact O-CG1 3.32Å; V804-I808 PolarHBondContact O-N 2.64Å; K805-I808 PolarHBondContact O-N 3.49Å; I808-E811 PolarHBondContact O-N 2.65Å; I808-L812 HydrophobicContact CG2-CD1 3.96Å; I808-L812 HydrophobicContact CG2-CG 4.38Å; I808-L812 WeakPolarHBondContact O-CB 3.45Å; I808-L812 VanDerWaalsContact O-CG 3.24Å; I808-L812 WeakPolarHBondContact O-CG 3.36Å; I808-L812 PolarHBondContact O-N 3.37Å |
| 809 | I | 88.7 | Confident | 90.7 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 177.1 | -71.1 | 164.6 | 0 | 0 | 0 | 110.4 | K805 A806 T807 E811 L812 E813 | K805-I809 WeakPolarHBondContact O-CB 3.47Å; K805-I809 WeakPolarHBondContact O-CD1 3.17Å; K805-I809 WeakPolarHBondContact O-CG1 2.71Å; K805-I809 PolarHBondContact O-N 2.84Å; A806-I809 PolarHBondContact O-N 2.78Å; T807-I809 PolarHBondContact O-N 2.77Å; I809-E811 PolarHBondContact O-N 3.34Å; I809-L812 PolarHBondContact O-N 2.84Å; I809-E813 HydrophobicContact CG2-CG 4.34Å; I809-E813 WeakPolarHBondContact O-CB 3.36Å; I809-E813 WeakPolarHBondContact O-CG 3.49Å; I809-E813 PolarHBondContact O-N 3.22Å |
| 810 | E | 92.6 | Very high | 90.6 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 178.2 | -173.9 | 176.8 | -176 | 0 | 0 | 112.2 | A806 T807 E813 N814 | A806-E810 PolarHBondContact O-N 3.26Å; T807-E810 PolarHBondContact O-N 3.35Å; E810-E813 PolarHBondContact O-N 3.47Å; E810-N814 WeakPolarHBondContact O-CB 3.48Å; E810-N814 PolarHBondContact O-N 2.99Å; E810-N814 PolarHBondContact O-ND2 3.5Å |
| 811 | E | 91 | Very high | 90.5 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 173.4 | -77 | -175.6 | -171.8 | 0 | 0 | 112.5 | T807 I808 I809 N814 K815 | T807-E811 WeakPolarHBondContact O-CG 3.15Å; T807-E811 PolarHBondContact O-N 3.22Å; I808-E811 PolarHBondContact O-N 2.65Å; I809-E811 PolarHBondContact O-N 3.34Å; E811-N814 PolarHBondContact O-N 2.91Å; E811-K815 WeakPolarHBondContact O-CB 3.45Å; E811-K815 WeakPolarHBondContact O-CG 3.38Å; E811-K815 PolarHBondContact O-N 2.91Å |
| 812 | L | 89.5 | Confident | 90.3 | Very high | 105 Ų | 105 | 97.6 Ų | 97.6 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 177 | -72.1 | 174.2 | 0 | 0 | 0 | 111.7 | I808 I809 K815 L816 | I808-L812 HydrophobicContact CG2-CD1 3.96Å; I808-L812 HydrophobicContact CG2-CG 4.38Å; I808-L812 WeakPolarHBondContact O-CB 3.45Å; I808-L812 VanDerWaalsContact O-CG 3.24Å; I808-L812 WeakPolarHBondContact O-CG 3.36Å; I808-L812 PolarHBondContact O-N 3.37Å; I809-L812 PolarHBondContact O-N 2.84Å; L812-K815 PolarHBondContact O-N 3.29Å; L812-L816 WeakPolarHBondContact O-CB 3.2Å; L812-L816 PolarHBondContact O-N 3.36Å |
| 813 | E | 89.9 | Confident | 90.2 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 174.2 | -74.7 | -175.3 | 180 | 0 | 0 | 112.5 | I809 E810 L816 R817 | I809-E813 HydrophobicContact CG2-CG 4.34Å; I809-E813 WeakPolarHBondContact O-CB 3.36Å; I809-E813 WeakPolarHBondContact O-CG 3.49Å; I809-E813 PolarHBondContact O-N 3.22Å; E810-E813 PolarHBondContact O-N 3.47Å; E813-L816 PolarHBondContact O-N 3.02Å; E813-R817 WeakPolarHBondContact O-CG 3.4Å; E813-R817 PolarHBondContact O-N 2.91Å; E813-R817 IonicContact OE2-NH1 2.79Å |
| 814 | N | 91.6 | Very high | 90 | Very high | 73 Ų | 73 | 96.9 Ų | 96.9 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 172.9 | -80.4 | -35.5 | 0 | 0 | 0 | 111.2 | E810 E811 L816 R817 E818 | E810-N814 WeakPolarHBondContact O-CB 3.48Å; E810-N814 PolarHBondContact O-N 2.99Å; E810-N814 PolarHBondContact O-ND2 3.5Å; E811-N814 PolarHBondContact O-N 2.91Å; N814-L816 VanDerWaalsContact C-N 3.28Å; N814-L816 PolarHBondContact O-N 3.26Å; N814-R817 WeakPolarHBondContact O-CB 3.46Å; N814-R817 PolarHBondContact O-N 3.08Å; N814-R817 VanDerWaalsContact O-N 3.12Å; N814-R817 PolarHBondContact OD1-NH2 3.25Å; N814-E818 PolarHBondContact O-N 3.26Å |
| 815 | K | 91.7 | Very high | 89.9 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 175.1 | -72.8 | 174.3 | 179.2 | 170.8 | 0 | 111.9 | E811 L812 T819 | E811-K815 WeakPolarHBondContact O-CB 3.45Å; E811-K815 WeakPolarHBondContact O-CG 3.38Å; E811-K815 PolarHBondContact O-N 2.91Å; L812-K815 PolarHBondContact O-N 3.29Å; K815-T819 WeakPolarHBondContact O-CB 3.34Å; K815-T819 VanDerWaalsContact O-CG2 3.26Å; K815-T819 WeakPolarHBondContact O-CG2 3.4Å; K815-T819 PolarHBondContact O-N 2.89Å; K815-T819 PolarHBondContact O-OG1 3.47Å |
| 816 | L | 88.9 | Confident | 89.8 | Confident | 81 Ų | 81 | 99.3 Ų | 99.3 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 174.2 | -171.9 | 80.5 | 0 | 0 | 0 | 111.9 | L812 E813 N814 T819 R820 | L812-L816 WeakPolarHBondContact O-CB 3.2Å; L812-L816 PolarHBondContact O-N 3.36Å; E813-L816 PolarHBondContact O-N 3.02Å; N814-L816 VanDerWaalsContact C-N 3.28Å; N814-L816 PolarHBondContact O-N 3.26Å; L816-T819 WeakPolarHBondContact CA-OG1 3.28Å; L816-T819 PolarHBondContact O-OG1 2.87Å; L816-R820 WeakPolarHBondContact O-CB 3.21Å; L816-R820 VanDerWaalsContact O-CG 3.23Å; L816-R820 WeakPolarHBondContact O-CG 3.37Å; L816-R820 PolarHBondContact O-N 3.45Å |
| 817 | R | 91.1 | Very high | 89.6 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 175.6 | -78.1 | -173.8 | -74.5 | -91 | 6.8 | 111.5 | E813 N814 R820 Q821 | E813-R817 WeakPolarHBondContact O-CG 3.4Å; E813-R817 PolarHBondContact O-N 2.91Å; E813-R817 IonicContact OE2-NH1 2.79Å; N814-R817 WeakPolarHBondContact O-CB 3.46Å; N814-R817 PolarHBondContact O-N 3.08Å; N814-R817 VanDerWaalsContact O-N 3.12Å; N814-R817 PolarHBondContact OD1-NH2 3.25Å; R817-R820 PolarHBondContact O-N 3.38Å; R817-Q821 PolarHBondContact O-N 3.16Å |
| 818 | E | 88.4 | Confident | 89.6 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 178.8 | -173.5 | 178.5 | -167 | 0 | 0 | 111.6 | N814 R820 Q821 I822 | N814-E818 PolarHBondContact O-N 3.26Å; E818-R820 VanDerWaalsContact C-N 3.33Å; E818-R820 PolarHBondContact O-N 3.34Å; E818-Q821 PolarHBondContact O-N 2.93Å; E818-I822 HydrophobicContact CG-CD1 4.03Å; E818-I822 WeakPolarHBondContact O-CG1 3.4Å; E818-I822 PolarHBondContact O-N 3.42Å |
| 819 | T | 86.8 | Confident | 89.3 | Confident | 80 Ų | 80 | 103.1 Ų | 103.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.2 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | K815 L816 L823 | K815-T819 WeakPolarHBondContact O-CB 3.34Å; K815-T819 VanDerWaalsContact O-CG2 3.26Å; K815-T819 WeakPolarHBondContact O-CG2 3.4Å; K815-T819 PolarHBondContact O-N 2.89Å; K815-T819 PolarHBondContact O-OG1 3.47Å; L816-T819 WeakPolarHBondContact CA-OG1 3.28Å; L816-T819 PolarHBondContact O-OG1 2.87Å; T819-L823 WeakPolarHBondContact O-CB 3.32Å; T819-L823 PolarHBondContact O-N 3Å |
| 820 | R | 90.5 | Very high | 89.2 | Confident | 161 Ų | 161 | 103.5 Ų | 103.5 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 173 | -77.3 | 173.3 | 174.9 | 173.4 | -0.9 | 112.5 | L816 R817 E818 L823 A824 | L816-R820 WeakPolarHBondContact O-CB 3.21Å; L816-R820 VanDerWaalsContact O-CG 3.23Å; L816-R820 WeakPolarHBondContact O-CG 3.37Å; L816-R820 PolarHBondContact O-N 3.45Å; R817-R820 PolarHBondContact O-N 3.38Å; E818-R820 VanDerWaalsContact C-N 3.33Å; E818-R820 PolarHBondContact O-N 3.34Å; R820-L823 PolarHBondContact O-N 2.84Å; R820-A824 WeakPolarHBondContact O-CB 3.26Å; R820-A824 PolarHBondContact O-N 2.89Å |
| 821 | Q | 90.7 | Very high | 89.1 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -49.2 | 175.8 | 179.2 | 176.9 | -6.4 | 0 | 0 | 111 | R817 E818 L823 A824 E825 | R817-Q821 PolarHBondContact O-N 3.16Å; E818-Q821 PolarHBondContact O-N 2.93Å; Q821-L823 VanDerWaalsContact C-N 3.26Å; Q821-L823 PolarHBondContact O-N 3.39Å; Q821-A824 PolarHBondContact O-N 3.46Å; Q821-A824 VanDerWaalsContact O-N 3.12Å; Q821-E825 WeakPolarHBondContact CG-OE1 3.3Å; Q821-E825 PolarHBondContact NE2-OE1 3.29Å; Q821-E825 WeakPolarHBondContact O-CG 3.2Å; Q821-E825 PolarHBondContact O-N 3.44Å |
| 822 | I | 87.8 | Confident | 88.9 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 177.1 | -66.2 | 166.1 | 0 | 0 | 0 | 110.8 | E818 K826 | E818-I822 HydrophobicContact CG-CD1 4.03Å; E818-I822 WeakPolarHBondContact O-CG1 3.4Å; E818-I822 PolarHBondContact O-N 3.42Å; I822-K826 HydrophobicContact CG2-CD 4.28Å; I822-K826 HydrophobicContact CG2-CG 4.49Å; I822-K826 WeakPolarHBondContact O-CB 3.33Å; I822-K826 VanDerWaalsContact O-CG 3.31Å; I822-K826 WeakPolarHBondContact O-CG 3.32Å; I822-K826 PolarHBondContact O-N 3.41Å |
| 823 | L | 86.5 | Confident | 88.7 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 64% | 0.644 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 176 | -172.1 | 79.4 | 0 | 0 | 0 | 111.6 | T819 R820 Q821 K826 Q827 | T819-L823 WeakPolarHBondContact O-CB 3.32Å; T819-L823 PolarHBondContact O-N 3Å; R820-L823 PolarHBondContact O-N 2.84Å; Q821-L823 VanDerWaalsContact C-N 3.26Å; Q821-L823 PolarHBondContact O-N 3.39Å; L823-K826 PolarHBondContact O-N 3.49Å; L823-Q827 WeakPolarHBondContact O-CB 3.35Å; L823-Q827 PolarHBondContact O-N 3.45Å |
| 824 | A | 89 | Confident | 88.6 | Confident | 52 Ų | 52 | 100.5 Ų | 100.5 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R820 Q821 K826 Q827 I828 | R820-A824 WeakPolarHBondContact O-CB 3.26Å; R820-A824 PolarHBondContact O-N 2.89Å; Q821-A824 PolarHBondContact O-N 3.46Å; Q821-A824 VanDerWaalsContact O-N 3.12Å; A824-K826 PolarHBondContact O-N 2.86Å; A824-Q827 PolarHBondContact O-N 3.16Å; A824-I828 WeakPolarHBondContact O-CG1 3.23Å; A824-I828 PolarHBondContact O-N 3.15Å |
| 825 | E | 89 | Confident | 88.4 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.5 | -72 | 171.9 | -169 | 0 | 0 | 111.1 | Q821 Q827 I828 T829 | Q821-E825 WeakPolarHBondContact CG-OE1 3.3Å; Q821-E825 PolarHBondContact NE2-OE1 3.29Å; Q821-E825 WeakPolarHBondContact O-CG 3.2Å; Q821-E825 PolarHBondContact O-N 3.44Å; E825-Q827 VanDerWaalsContact C-N 3.34Å; E825-Q827 PolarHBondContact O-N 2.81Å; E825-I828 PolarHBondContact O-N 2.79Å; E825-T829 WeakPolarHBondContact O-CG2 3.27Å; E825-T829 PolarHBondContact O-N 3.5Å; E825-T829 PolarHBondContact O-OG1 3.46Å |
| 826 | K | 89.8 | Confident | 88.2 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 175.9 | -77 | -174 | 176.2 | -169.6 | 0 | 113.7 | I822 L823 A824 T829 H830 | I822-K826 HydrophobicContact CG2-CD 4.28Å; I822-K826 HydrophobicContact CG2-CG 4.49Å; I822-K826 WeakPolarHBondContact O-CB 3.33Å; I822-K826 VanDerWaalsContact O-CG 3.31Å; I822-K826 WeakPolarHBondContact O-CG 3.32Å; I822-K826 PolarHBondContact O-N 3.41Å; L823-K826 PolarHBondContact O-N 3.49Å; A824-K826 PolarHBondContact O-N 2.86Å; K826-T829 WeakPolarHBondContact CA-OG1 3.35Å; K826-T829 PolarHBondContact O-OG1 3.3Å; K826-H830 VanDerWaalsContact O-CB 3.27Å; K826-H830 WeakPolarHBondContact O-CB 3.49Å; K826-H830 PolarHBondContact O-N 2.93Å |
| 827 | Q | 88.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 175.7 | -177.2 | 63.5 | 25.6 | 0 | 0 | 110.6 | L823 A824 E825 H830 E831 | L823-Q827 WeakPolarHBondContact O-CB 3.35Å; L823-Q827 PolarHBondContact O-N 3.45Å; A824-Q827 PolarHBondContact O-N 3.16Å; E825-Q827 VanDerWaalsContact C-N 3.34Å; E825-Q827 PolarHBondContact O-N 2.81Å; Q827-H830 PolarHBondContact O-N 2.82Å; Q827-E831 PolarHBondContact NE2-OE1 2.82Å; Q827-E831 WeakPolarHBondContact O-CB 3.49Å; Q827-E831 WeakPolarHBondContact O-CG 3.49Å; Q827-E831 PolarHBondContact O-N 2.94Å |
| 828 | I | 89.7 | Confident | 88 | Confident | 115 Ų | 115 | 99.5 Ų | 99.5 | 59% | 0.59 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 176.6 | -65.7 | 164.5 | 0 | 0 | 0 | 110.8 | A824 E825 E831 S832 | A824-I828 WeakPolarHBondContact O-CG1 3.23Å; A824-I828 PolarHBondContact O-N 3.15Å; E825-I828 PolarHBondContact O-N 2.79Å; I828-E831 PolarHBondContact O-N 2.77Å; I828-S832 PolarHBondContact O-N 2.95Å |
| 829 | T | 83.5 | Confident | 88 | Confident | 73 Ų | 73 | 100.5 Ų | 100.5 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | E825 K826 E831 S832 E833 | E825-T829 WeakPolarHBondContact O-CG2 3.27Å; E825-T829 PolarHBondContact O-N 3.5Å; E825-T829 PolarHBondContact O-OG1 3.46Å; K826-T829 WeakPolarHBondContact CA-OG1 3.35Å; K826-T829 PolarHBondContact O-OG1 3.3Å; T829-E831 PolarHBondContact O-N 3.13Å; T829-S832 WeakPolarHBondContact O-CB 3.34Å; T829-S832 PolarHBondContact O-N 3.18Å; T829-E833 WeakPolarHBondContact O-CG 3.37Å; T829-E833 PolarHBondContact O-N 3.41Å |
| 830 | H | 88 | Confident | 87.8 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 177 | 176.2 | -90.2 | 0 | 0 | 0 | 112.2 | K826 Q827 E833 L834 | K826-H830 VanDerWaalsContact O-CB 3.27Å; K826-H830 WeakPolarHBondContact O-CB 3.49Å; K826-H830 PolarHBondContact O-N 2.93Å; Q827-H830 PolarHBondContact O-N 2.82Å; H830-E833 PolarHBondContact O-N 3.06Å; H830-L834 WeakPolarHBondContact O-CB 3.23Å; H830-L834 PolarHBondContact O-N 3.27Å |
| 831 | E | 88.9 | Confident | 87.7 | Confident | 99 Ų | 99 | 97.3 Ų | 97.3 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 174.9 | -77.3 | 174.7 | -164.6 | 0 | 0 | 112.6 | Q827 I828 T829 N835 | Q827-E831 PolarHBondContact NE2-OE1 2.82Å; Q827-E831 WeakPolarHBondContact O-CB 3.49Å; Q827-E831 WeakPolarHBondContact O-CG 3.49Å; Q827-E831 PolarHBondContact O-N 2.94Å; I828-E831 PolarHBondContact O-N 2.77Å; T829-E831 PolarHBondContact O-N 3.13Å; E831-N835 PolarHBondContact O-N 2.7Å |
| 832 | S | 87.3 | Confident | 87.6 | Confident | 75 Ų | 75 | 97 Ų | 97 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -49.6 | 173.9 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | I828 T829 L834 N835 E836 | I828-S832 PolarHBondContact O-N 2.95Å; T829-S832 WeakPolarHBondContact O-CB 3.34Å; T829-S832 PolarHBondContact O-N 3.18Å; S832-L834 VanDerWaalsContact C-N 3.3Å; S832-L834 PolarHBondContact O-N 2.79Å; S832-N835 PolarHBondContact O-N 3.08Å; S832-N835 VanDerWaalsContact O-N 3.17Å; S832-E836 PolarHBondContact O-N 2.88Å |
| 833 | E | 84.3 | Confident | 87.6 | Confident | 119 Ų | 119 | 98.2 Ų | 98.2 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -39.4 | 177.1 | -72 | 171 | -171.4 | 0 | 0 | 111.5 | T829 H830 N835 E836 A837 | T829-E833 WeakPolarHBondContact O-CG 3.37Å; T829-E833 PolarHBondContact O-N 3.41Å; H830-E833 PolarHBondContact O-N 3.06Å; E833-N835 VanDerWaalsContact C-N 3.34Å; E833-N835 PolarHBondContact O-N 2.79Å; E833-E836 PolarHBondContact O-N 2.86Å; E833-A837 VanDerWaalsContact O-CB 3.28Å; E833-A837 WeakPolarHBondContact O-CB 3.36Å; E833-A837 PolarHBondContact O-N 2.8Å |
| 834 | L | 88.1 | Confident | 87.6 | Confident | 75 Ų | 75 | 96.4 Ų | 96.4 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 176.1 | -178.5 | 64.5 | 0 | 0 | 0 | 111.9 | H830 S832 K838 | H830-L834 WeakPolarHBondContact O-CB 3.23Å; H830-L834 PolarHBondContact O-N 3.27Å; S832-L834 VanDerWaalsContact C-N 3.3Å; S832-L834 PolarHBondContact O-N 2.79Å; L834-K838 VanDerWaalsContact O-CG 3.25Å; L834-K838 WeakPolarHBondContact O-CG 3.09Å; L834-K838 PolarHBondContact O-N 3.42Å |
| 835 | N | 88.7 | Confident | 87.6 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.7 | -41.8 | 176.1 | -78.3 | -11.7 | 0 | 0 | 0 | 111.8 | E831 S832 E833 A837 K838 E839 | E831-N835 PolarHBondContact O-N 2.7Å; S832-N835 PolarHBondContact O-N 3.08Å; S832-N835 VanDerWaalsContact O-N 3.17Å; E833-N835 VanDerWaalsContact C-N 3.34Å; E833-N835 PolarHBondContact O-N 2.79Å; N835-A837 VanDerWaalsContact C-N 3.33Å; N835-A837 PolarHBondContact O-N 2.81Å; N835-K838 WeakPolarHBondContact O-CB 3.33Å; N835-K838 PolarHBondContact O-N 3.3Å; N835-K838 VanDerWaalsContact O-N 3.15Å; N835-E839 WeakPolarHBondContact O-CG 3.5Å; N835-E839 PolarHBondContact O-N 3.05Å |
| 836 | E | 86.9 | Confident | 87.6 | Confident | 125 Ų | 125 | 99.2 Ų | 99.2 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 173.8 | -170.6 | 177 | 179.2 | 0 | 0 | 111.6 | S832 E833 K838 E839 T840 | S832-E836 PolarHBondContact O-N 2.88Å; E833-E836 PolarHBondContact O-N 2.86Å; E836-K838 VanDerWaalsContact C-N 3.33Å; E836-K838 PolarHBondContact O-N 3.15Å; E836-E839 PolarHBondContact O-N 2.89Å; E836-T840 WeakPolarHBondContact O-CB 3.37Å; E836-T840 WeakPolarHBondContact O-CG2 3.4Å; E836-T840 PolarHBondContact O-N 3.42Å; E836-T840 PolarHBondContact O-OG1 2.99Å |
| 837 | A | 86.1 | Confident | 87.6 | Confident | 53 Ų | 53 | 96.7 Ų | 96.7 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E833 N835 T840 N841 | E833-A837 VanDerWaalsContact O-CB 3.28Å; E833-A837 WeakPolarHBondContact O-CB 3.36Å; E833-A837 PolarHBondContact O-N 2.8Å; N835-A837 VanDerWaalsContact C-N 3.33Å; N835-A837 PolarHBondContact O-N 2.81Å; A837-T840 VanDerWaalsContact CA-OG1 3.31Å; A837-T840 WeakPolarHBondContact CA-OG1 3.5Å; A837-T840 PolarHBondContact O-OG1 2.65Å; A837-N841 VanDerWaalsContact O-CB 3.26Å; A837-N841 WeakPolarHBondContact O-CB 3.38Å; A837-N841 PolarHBondContact O-N 3.35Å |
| 838 | K | 89.1 | Confident | 87.7 | Confident | 108 Ų | 108 | 98.1 Ų | 98.1 | 47% | 0.47 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 173.7 | -75.1 | 168.1 | -174.9 | 167.5 | 0 | 111.5 | L834 N835 E836 T840 N841 E842 | L834-K838 VanDerWaalsContact O-CG 3.25Å; L834-K838 WeakPolarHBondContact O-CG 3.09Å; L834-K838 PolarHBondContact O-N 3.42Å; N835-K838 WeakPolarHBondContact O-CB 3.33Å; N835-K838 PolarHBondContact O-N 3.3Å; N835-K838 VanDerWaalsContact O-N 3.15Å; E836-K838 VanDerWaalsContact C-N 3.33Å; E836-K838 PolarHBondContact O-N 3.15Å; K838-T840 PolarHBondContact O-N 2.68Å; K838-N841 PolarHBondContact O-N 2.95Å; K838-E842 PolarHBondContact O-N 3.31Å |
| 839 | E | 89.7 | Confident | 87.7 | Confident | 138 Ų | 138 | 99 Ų | 99 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 178.5 | -73.7 | -177.4 | -176.3 | 0 | 0 | 111.9 | N835 E836 N841 E842 L843 | N835-E839 WeakPolarHBondContact O-CG 3.5Å; N835-E839 PolarHBondContact O-N 3.05Å; E836-E839 PolarHBondContact O-N 2.89Å; E839-N841 VanDerWaalsContact C-N 3.34Å; E839-N841 PolarHBondContact O-N 3.41Å; E839-E842 PolarHBondContact O-N 3.17Å; E839-L843 WeakPolarHBondContact O-CB 3.44Å; E839-L843 PolarHBondContact O-N 3.4Å |
| 840 | T | 83 | Confident | 88 | Confident | 78 Ų | 78 | 101.1 Ų | 101.1 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 176 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | E836 A837 K838 L843 L844 | E836-T840 WeakPolarHBondContact O-CB 3.37Å; E836-T840 WeakPolarHBondContact O-CG2 3.4Å; E836-T840 PolarHBondContact O-N 3.42Å; E836-T840 PolarHBondContact O-OG1 2.99Å; A837-T840 VanDerWaalsContact CA-OG1 3.31Å; A837-T840 WeakPolarHBondContact CA-OG1 3.5Å; A837-T840 PolarHBondContact O-OG1 2.65Å; K838-T840 PolarHBondContact O-N 2.68Å; T840-L843 PolarHBondContact O-N 3.18Å; T840-L844 WeakPolarHBondContact O-CB 3.35Å; T840-L844 PolarHBondContact O-N 2.83Å |
| 841 | N | 87.6 | Confident | 88 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 174.7 | -168.1 | 24.6 | 0 | 0 | 0 | 112.7 | A837 K838 E839 L844 S845 | A837-N841 VanDerWaalsContact O-CB 3.26Å; A837-N841 WeakPolarHBondContact O-CB 3.38Å; A837-N841 PolarHBondContact O-N 3.35Å; K838-N841 PolarHBondContact O-N 2.95Å; E839-N841 VanDerWaalsContact C-N 3.34Å; E839-N841 PolarHBondContact O-N 3.41Å; N841-L844 PolarHBondContact O-N 2.91Å; N841-S845 WeakPolarHBondContact O-CB 3.46Å; N841-S845 PolarHBondContact O-N 3.47Å; N841-S845 PolarHBondContact O-OG 3.24Å |
| 842 | E | 88.3 | Confident | 88.1 | Confident | 112 Ų | 112 | 102 Ų | 102 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 170.6 | -76 | -168.6 | -171.3 | 0 | 0 | 111.5 | K838 E839 S845 R846 | K838-E842 PolarHBondContact O-N 3.31Å; E839-E842 PolarHBondContact O-N 3.17Å; E842-S845 WeakPolarHBondContact O-CB 3.44Å; E842-S845 PolarHBondContact O-N 2.95Å; E842-R846 WeakPolarHBondContact O-CG 3.5Å; E842-R846 PolarHBondContact O-N 3.43Å; E842-R846 IonicContact OE2-NH2 2.79Å; E842-R846 PolarHBondContact OE2-NH2 2.98Å |
| 843 | L | 89 | Confident | 88.3 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.4 | -168.9 | 80.7 | 0 | 0 | 0 | 111.3 | E839 T840 S845 R846 L847 | E839-L843 WeakPolarHBondContact O-CB 3.44Å; E839-L843 PolarHBondContact O-N 3.4Å; T840-L843 PolarHBondContact O-N 3.18Å; L843-S845 VanDerWaalsContact C-N 3.3Å; L843-S845 PolarHBondContact O-N 3.42Å; L843-R846 PolarHBondContact O-N 3Å; L843-L847 HydrophobicContact CG-CD1 4.38Å; L843-L847 PolarHBondContact O-N 3.26Å |
| 844 | L | 85.3 | Confident | 88.5 | Confident | 84 Ų | 84 | 103 Ų | 103 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 176.2 | -177.8 | 65 | 0 | 0 | 0 | 111.6 | T840 N841 L847 K848 | T840-L844 WeakPolarHBondContact O-CB 3.35Å; T840-L844 PolarHBondContact O-N 2.83Å; N841-L844 PolarHBondContact O-N 2.91Å; L844-L847 PolarHBondContact O-N 3.45Å; L844-K848 WeakPolarHBondContact O-CB 3.37Å; L844-K848 WeakPolarHBondContact O-CG 3.05Å; L844-K848 PolarHBondContact O-N 3.22Å |
| 845 | S | 88.6 | Confident | 88.6 | Confident | 55 Ų | 55 | 103.7 Ų | 103.7 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 176.6 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | N841 E842 L843 K848 Q849 | N841-S845 WeakPolarHBondContact O-CB 3.46Å; N841-S845 PolarHBondContact O-N 3.47Å; N841-S845 PolarHBondContact O-OG 3.24Å; E842-S845 WeakPolarHBondContact O-CB 3.44Å; E842-S845 PolarHBondContact O-N 2.95Å; L843-S845 VanDerWaalsContact C-N 3.3Å; L843-S845 PolarHBondContact O-N 3.42Å; S845-K848 PolarHBondContact O-N 2.95Å; S845-Q849 WeakPolarHBondContact O-CG 3.4Å; S845-Q849 PolarHBondContact O-N 2.63Å; S845-Q849 VanDerWaalsContact O-N 3.13Å |
| 846 | R | 89.8 | Confident | 88.7 | Confident | 156 Ų | 156 | 104.5 Ų | 104.5 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 173.9 | -68.3 | 175.2 | -167.2 | 169.1 | 10 | 111.9 | E842 L843 K848 Q849 E850 | E842-R846 WeakPolarHBondContact O-CG 3.5Å; E842-R846 PolarHBondContact O-N 3.43Å; E842-R846 IonicContact OE2-NH2 2.79Å; E842-R846 PolarHBondContact OE2-NH2 2.98Å; L843-R846 PolarHBondContact O-N 3Å; R846-K848 VanDerWaalsContact C-N 3.35Å; R846-K848 PolarHBondContact O-N 2.56Å; R846-Q849 WeakPolarHBondContact O-CB 3.36Å; R846-Q849 PolarHBondContact O-N 3.36Å; R846-E850 PolarHBondContact O-N 3.45Å |
| 847 | L | 89.1 | Confident | 89 | Confident | 83 Ų | 83 | 102.8 Ų | 102.8 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 176.3 | -95.1 | 157.9 | 0 | 0 | 0 | 112.3 | L843 L844 Q849 E850 I851 | L843-L847 HydrophobicContact CG-CD1 4.38Å; L843-L847 PolarHBondContact O-N 3.26Å; L844-L847 PolarHBondContact O-N 3.45Å; L847-Q849 VanDerWaalsContact C-N 3.35Å; L847-Q849 PolarHBondContact O-N 3.13Å; L847-E850 PolarHBondContact O-N 2.87Å; L847-I851 VanDerWaalsContact O-CG1 3.32Å; L847-I851 WeakPolarHBondContact O-CG1 3.36Å; L847-I851 PolarHBondContact O-N 2.9Å |
| 848 | K | 90.5 | Very high | 89 | Confident | 129 Ų | 129 | 105.2 Ų | 105.2 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | 174.6 | -79.2 | 176.8 | 179.3 | 176.7 | 0 | 112.2 | L844 S845 R846 I851 Q852 | L844-K848 WeakPolarHBondContact O-CB 3.37Å; L844-K848 WeakPolarHBondContact O-CG 3.05Å; L844-K848 PolarHBondContact O-N 3.22Å; S845-K848 PolarHBondContact O-N 2.95Å; R846-K848 VanDerWaalsContact C-N 3.35Å; R846-K848 PolarHBondContact O-N 2.56Å; K848-I851 PolarHBondContact O-N 3.23Å; K848-Q852 WeakPolarHBondContact O-CB 3.09Å; K848-Q852 PolarHBondContact O-N 3Å |
| 849 | Q | 90.5 | Very high | 89.1 | Confident | 134 Ų | 134 | 105.2 Ų | 105.2 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 175.3 | -72.6 | 175.8 | 0.2 | 0 | 0 | 111.5 | S845 R846 L847 Q852 L853 | S845-Q849 WeakPolarHBondContact O-CG 3.4Å; S845-Q849 PolarHBondContact O-N 2.63Å; S845-Q849 VanDerWaalsContact O-N 3.13Å; R846-Q849 WeakPolarHBondContact O-CB 3.36Å; R846-Q849 PolarHBondContact O-N 3.36Å; L847-Q849 VanDerWaalsContact C-N 3.35Å; L847-Q849 PolarHBondContact O-N 3.13Å; Q849-Q852 PolarHBondContact O-N 3.36Å; Q849-L853 WeakPolarHBondContact O-CB 3.37Å; Q849-L853 PolarHBondContact O-N 3.41Å |
| 850 | E | 89.7 | Confident | 89 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177.8 | -169.4 | 174.2 | -176.9 | 0 | 0 | 112.2 | R846 L847 L853 K854 | R846-E850 PolarHBondContact O-N 3.45Å; L847-E850 PolarHBondContact O-N 2.87Å; E850-L853 WeakPolarHBondContact O-CB 3.44Å; E850-L853 PolarHBondContact O-N 2.64Å; E850-K854 WeakPolarHBondContact O-CG 2.99Å; E850-K854 PolarHBondContact O-N 3.46Å |
| 851 | I | 88.5 | Confident | 89.2 | Confident | 93 Ų | 93 | 105.8 Ų | 105.8 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 174 | -69.6 | 167.2 | 0 | 0 | 0 | 110.3 | L847 K848 L853 K854 D855 | L847-I851 VanDerWaalsContact O-CG1 3.32Å; L847-I851 WeakPolarHBondContact O-CG1 3.36Å; L847-I851 PolarHBondContact O-N 2.9Å; K848-I851 PolarHBondContact O-N 3.23Å; I851-L853 VanDerWaalsContact C-N 3.26Å; I851-L853 PolarHBondContact O-N 2.98Å; I851-K854 PolarHBondContact O-N 3.29Å; I851-K854 VanDerWaalsContact O-N 3.1Å; I851-D855 PolarHBondContact O-N 2.89Å |
| 852 | Q | 90 | Very high | 89.3 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -37.1 | 178 | -170.8 | 176.3 | 8.1 | 0 | 0 | 112.1 | K848 Q849 N856 | K848-Q852 WeakPolarHBondContact O-CB 3.09Å; K848-Q852 PolarHBondContact O-N 3Å; Q849-Q852 PolarHBondContact O-N 3.36Å; Q852-N856 WeakPolarHBondContact O-CB 3Å; Q852-N856 PolarHBondContact O-N 3.39Å; Q852-N856 PolarHBondContact O-ND2 2.77Å |
| 853 | L | 90.7 | Very high | 89.4 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 176 | -137.2 | 163.6 | 0 | 0 | 0 | 111.4 | Q849 E850 I851 N856 Q857 | Q849-L853 WeakPolarHBondContact O-CB 3.37Å; Q849-L853 PolarHBondContact O-N 3.41Å; E850-L853 WeakPolarHBondContact O-CB 3.44Å; E850-L853 PolarHBondContact O-N 2.64Å; I851-L853 VanDerWaalsContact C-N 3.26Å; I851-L853 PolarHBondContact O-N 2.98Å; L853-N856 PolarHBondContact O-N 3.43Å; L853-Q857 HydrophobicContact CD2-CG 4.44Å; L853-Q857 WeakPolarHBondContact O-CG 3.29Å; L853-Q857 PolarHBondContact O-N 3.44Å |
| 854 | K | 89.3 | Confident | 89.5 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 175.5 | -68.6 | -69.1 | -178.3 | 174.9 | 0 | 112.6 | E850 I851 Q857 L858 | E850-K854 WeakPolarHBondContact O-CG 2.99Å; E850-K854 PolarHBondContact O-N 3.46Å; I851-K854 PolarHBondContact O-N 3.29Å; I851-K854 VanDerWaalsContact O-N 3.1Å; K854-Q857 PolarHBondContact O-N 3.32Å; K854-L858 WeakPolarHBondContact O-CB 3.37Å; K854-L858 WeakPolarHBondContact O-CG 3.34Å; K854-L858 PolarHBondContact O-N 2.69Å |
| 855 | D | 91.1 | Very high | 89.7 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.8 | -73.1 | -22.5 | 0 | 0 | 0 | 110.9 | I851 Q857 L858 E859 | I851-D855 PolarHBondContact O-N 2.89Å; D855-Q857 VanDerWaalsContact C-N 3.33Å; D855-Q857 PolarHBondContact O-N 3.43Å; D855-L858 PolarHBondContact O-N 2.7Å; D855-E859 PolarHBondContact O-N 3.22Å |
| 856 | N | 90.9 | Very high | 89.7 | Confident | 104 Ų | 104 | 107.5 Ų | 107.5 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 174 | -69.9 | -19.8 | 0 | 0 | 0 | 112 | Q852 L853 E859 E860 | Q852-N856 WeakPolarHBondContact O-CB 3Å; Q852-N856 PolarHBondContact O-N 3.39Å; Q852-N856 PolarHBondContact O-ND2 2.77Å; L853-N856 PolarHBondContact O-N 3.43Å; N856-E859 PolarHBondContact O-N 3.5Å; N856-E860 PolarHBondContact O-N 3.2Å |
| 857 | Q | 92 | Very high | 89.7 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.2 | -74.3 | 176.5 | -5.1 | 0 | 0 | 112.1 | L853 K854 D855 E859 E860 M861 | L853-Q857 HydrophobicContact CD2-CG 4.44Å; L853-Q857 WeakPolarHBondContact O-CG 3.29Å; L853-Q857 PolarHBondContact O-N 3.44Å; K854-Q857 PolarHBondContact O-N 3.32Å; D855-Q857 VanDerWaalsContact C-N 3.33Å; D855-Q857 PolarHBondContact O-N 3.43Å; Q857-E859 VanDerWaalsContact C-N 3.32Å; Q857-E860 PolarHBondContact O-N 3.05Å; Q857-M861 VanDerWaalsContact O-CG 3.28Å; Q857-M861 WeakPolarHBondContact O-CG 3.33Å; Q857-M861 PolarHBondContact O-N 2.89Å |
| 858 | L | 86.5 | Confident | 89.8 | Confident | 104 Ų | 104 | 108.4 Ų | 108.4 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.2 | -82.5 | 168.5 | 0 | 0 | 0 | 111.5 | K854 D855 M861 K862 | K854-L858 WeakPolarHBondContact O-CB 3.37Å; K854-L858 WeakPolarHBondContact O-CG 3.34Å; K854-L858 PolarHBondContact O-N 2.69Å; D855-L858 PolarHBondContact O-N 2.7Å; L858-M861 PolarHBondContact O-N 3.37Å; L858-K862 PolarHBondContact O-N 2.93Å |
| 859 | E | 90.2 | Very high | 89.7 | Confident | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -179.7 | -146.9 | 62.1 | -179.8 | 0 | 0 | 112.4 | D855 N856 Q857 M861 K862 S863 | D855-E859 PolarHBondContact O-N 3.22Å; N856-E859 PolarHBondContact O-N 3.5Å; Q857-E859 VanDerWaalsContact C-N 3.32Å; E859-M861 VanDerWaalsContact C-N 3.34Å; E859-K862 PolarHBondContact O-N 3.06Å; E859-K862 IonicContact OE1-NZ 2.79Å; E859-K862 WeakPolarHBondContact OE2-CD 3.47Å; E859-K862 IonicContact OE2-NZ 2.79Å; E859-K862 PolarHBondContact OE2-NZ 3.1Å; E859-S863 WeakPolarHBondContact O-CB 3.26Å; E859-S863 PolarHBondContact O-N 2.75Å |
| 860 | E | 89.5 | Confident | 89.7 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 169 | -166.4 | -170.4 | 157.4 | 0 | 0 | 111.5 | N856 Q857 S863 K864 | N856-E860 PolarHBondContact O-N 3.2Å; Q857-E860 PolarHBondContact O-N 3.05Å; E860-S863 PolarHBondContact O-N 2.69Å; E860-K864 WeakPolarHBondContact O-CG 3.26Å; E860-K864 PolarHBondContact O-N 3.42Å; E860-K864 VanDerWaalsContact O-N 3.07Å; E860-K864 VanDerWaalsContact OE1-CE 3.31Å; E860-K864 WeakPolarHBondContact OE1-CE 3.48Å; E860-K864 IonicContact OE1-NZ 2.82Å; E860-K864 PolarHBondContact OE1-NZ 3.04Å |
| 861 | M | 87 | Confident | 89.6 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | 177.3 | -72.2 | -62.5 | -64.9 | 0 | 0 | 112.6 | Q857 L858 E859 K864 L865 | Q857-M861 VanDerWaalsContact O-CG 3.28Å; Q857-M861 WeakPolarHBondContact O-CG 3.33Å; Q857-M861 PolarHBondContact O-N 2.89Å; L858-M861 PolarHBondContact O-N 3.37Å; E859-M861 VanDerWaalsContact C-N 3.34Å; M861-K864 PolarHBondContact O-N 3.43Å; M861-L865 WeakPolarHBondContact O-CB 3.46Å; M861-L865 PolarHBondContact O-N 3.48Å |
| 862 | K | 89.8 | Confident | 89.5 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 48% | 0.478 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 172.5 | -78.5 | -168.5 | -157.2 | 141.1 | 0 | 111.9 | L858 E859 K864 L865 D866 | L858-K862 PolarHBondContact O-N 2.93Å; E859-K862 PolarHBondContact O-N 3.06Å; E859-K862 IonicContact OE1-NZ 2.79Å; E859-K862 WeakPolarHBondContact OE2-CD 3.47Å; E859-K862 IonicContact OE2-NZ 2.79Å; E859-K862 PolarHBondContact OE2-NZ 3.1Å; K862-K864 VanDerWaalsContact C-N 3.29Å; K862-K864 PolarHBondContact O-N 3.49Å; K862-L865 CarbonylContact O-C 3.54Å; K862-L865 WeakPolarHBondContact O-CB 3.31Å; K862-L865 PolarHBondContact O-N 2.85Å; K862-D866 PolarHBondContact O-N 3.26Å |
| 863 | S | 89.9 | Confident | 89.5 | Confident | 76 Ų | 76 | 100.3 Ų | 100.3 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 178.3 | -177 | 0 | 0 | 0 | 0 | 111.9 | E859 E860 D866 Q867 | E859-S863 WeakPolarHBondContact O-CB 3.26Å; E859-S863 PolarHBondContact O-N 2.75Å; E860-S863 PolarHBondContact O-N 2.69Å; S863-D866 PolarHBondContact O-N 3.13Å; S863-Q867 WeakPolarHBondContact O-CB 3.17Å; S863-Q867 PolarHBondContact O-N 3.32Å |
| 864 | K | 90.9 | Very high | 89.5 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 173.4 | -71.9 | 174 | -174.1 | 166.8 | 0 | 112.3 | E860 M861 K862 Q867 Q868 | E860-K864 WeakPolarHBondContact O-CG 3.26Å; E860-K864 PolarHBondContact O-N 3.42Å; E860-K864 VanDerWaalsContact O-N 3.07Å; E860-K864 VanDerWaalsContact OE1-CE 3.31Å; E860-K864 WeakPolarHBondContact OE1-CE 3.48Å; E860-K864 IonicContact OE1-NZ 2.82Å; E860-K864 PolarHBondContact OE1-NZ 3.04Å; M861-K864 PolarHBondContact O-N 3.43Å; K862-K864 VanDerWaalsContact C-N 3.29Å; K862-K864 PolarHBondContact O-N 3.49Å; K864-Q867 PolarHBondContact O-N 3Å; K864-Q868 WeakPolarHBondContact O-CB 3.44Å; K864-Q868 PolarHBondContact O-N 3.39Å |
| 865 | L | 89.1 | Confident | 89.5 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 177.9 | -174.9 | 64.9 | 0 | 0 | 0 | 111.9 | M861 K862 Q868 N869 | M861-L865 WeakPolarHBondContact O-CB 3.46Å; M861-L865 PolarHBondContact O-N 3.48Å; K862-L865 CarbonylContact O-C 3.54Å; K862-L865 WeakPolarHBondContact O-CB 3.31Å; K862-L865 PolarHBondContact O-N 2.85Å; L865-Q868 PolarHBondContact O-N 2.96Å; L865-N869 WeakPolarHBondContact O-CB 3.35Å; L865-N869 PolarHBondContact O-N 3.47Å |
| 866 | D | 89.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 177 | -75 | -20.1 | 0 | 0 | 0 | 111.7 | K862 S863 Q868 N869 Q870 | K862-D866 PolarHBondContact O-N 3.26Å; S863-D866 PolarHBondContact O-N 3.13Å; D866-Q868 VanDerWaalsContact C-N 3.34Å; D866-Q868 PolarHBondContact O-N 2.81Å; D866-N869 PolarHBondContact O-N 2.94Å; D866-Q870 PolarHBondContact O-N 2.97Å |
| 867 | Q | 89.7 | Confident | 89.2 | Confident | 140 Ų | 140 | 101.1 Ų | 101.1 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 174.9 | -167.7 | 174.3 | 30.8 | 0 | 0 | 111.6 | S863 K864 Q870 S871 | S863-Q867 WeakPolarHBondContact O-CB 3.17Å; S863-Q867 PolarHBondContact O-N 3.32Å; K864-Q867 PolarHBondContact O-N 3Å; Q867-Q870 PolarHBondContact O-N 3.46Å; Q867-S871 PolarHBondContact O-N 3.44Å; Q867-S871 VanDerWaalsContact O-N 3.12Å |
| 868 | Q | 90 | Very high | 89.1 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 175 | -174 | 171.8 | -2.7 | 0 | 0 | 111.8 | K864 L865 D866 S871 N872 | K864-Q868 WeakPolarHBondContact O-CB 3.44Å; K864-Q868 PolarHBondContact O-N 3.39Å; L865-Q868 PolarHBondContact O-N 2.96Å; D866-Q868 VanDerWaalsContact C-N 3.34Å; D866-Q868 PolarHBondContact O-N 2.81Å; Q868-S871 WeakPolarHBondContact O-CB 3.37Å; Q868-S871 PolarHBondContact O-N 3.14Å; Q868-S871 VanDerWaalsContact O-N 3.16Å; Q868-N872 VanDerWaalsContact O-CG 3.3Å; Q868-N872 PolarHBondContact O-N 3.41Å |
| 869 | N | 89.6 | Confident | 89.1 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.3 | -84.5 | -16 | 0 | 0 | 0 | 112.1 | L865 D866 S871 N872 V873 | L865-N869 WeakPolarHBondContact O-CB 3.35Å; L865-N869 PolarHBondContact O-N 3.47Å; D866-N869 PolarHBondContact O-N 2.94Å; N869-S871 VanDerWaalsContact C-N 3.28Å; N869-S871 PolarHBondContact O-N 3.16Å; N869-N872 PolarHBondContact O-N 3.46Å; N869-V873 WeakPolarHBondContact O-CG2 3.33Å; N869-V873 PolarHBondContact O-N 3.01Å |
| 870 | Q | 89.4 | Confident | 89 | Confident | 128 Ų | 128 | 99.6 Ų | 99.6 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.4 | -37.8 | 173.5 | -88.3 | -173.7 | 7.2 | 0 | 0 | 112.5 | D866 Q867 K874 | D866-Q870 PolarHBondContact O-N 2.97Å; Q867-Q870 PolarHBondContact O-N 3.46Å; Q870-K874 WeakPolarHBondContact O-CG 3.14Å; Q870-K874 PolarHBondContact O-N 3.05Å |
| 871 | S | 88.5 | Confident | 88.9 | Confident | 75 Ų | 75 | 101 Ų | 101 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | Q867 Q868 N869 K874 L875 | Q867-S871 PolarHBondContact O-N 3.44Å; Q867-S871 VanDerWaalsContact O-N 3.12Å; Q868-S871 WeakPolarHBondContact O-CB 3.37Å; Q868-S871 PolarHBondContact O-N 3.14Å; Q868-S871 VanDerWaalsContact O-N 3.16Å; N869-S871 VanDerWaalsContact C-N 3.28Å; N869-S871 PolarHBondContact O-N 3.16Å; S871-K874 PolarHBondContact O-N 3.45Å; S871-L875 WeakPolarHBondContact O-CB 3.49Å; S871-L875 PolarHBondContact O-N 2.75Å |
| 872 | N | 86.7 | Confident | 88.9 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 34% | 0.337 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.4 | -69.8 | -17.1 | 0 | 0 | 0 | 111.7 | Q868 N869 L875 H876 | Q868-N872 VanDerWaalsContact O-CG 3.3Å; Q868-N872 PolarHBondContact O-N 3.41Å; N869-N872 PolarHBondContact O-N 3.46Å; N872-L875 PolarHBondContact O-N 3.33Å; N872-H876 PolarHBondContact O-CD2 2.98Å; N872-H876 PolarHBondContact O-N 3.15Å |
| 873 | V | 90.1 | Very high | 88.7 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | N869 L875 H876 E877 | N869-V873 WeakPolarHBondContact O-CG2 3.33Å; N869-V873 PolarHBondContact O-N 3.01Å; V873-L875 VanDerWaalsContact C-N 3.27Å; V873-L875 PolarHBondContact O-N 2.88Å; V873-H876 PolarHBondContact O-N 3.08Å; V873-E877 HydrophobicContact CG1-CG 4.49Å; V873-E877 WeakPolarHBondContact O-CG 3.34Å; V873-E877 PolarHBondContact O-N 2.93Å |
| 874 | K | 90.1 | Very high | 88.5 | Confident | 137 Ų | 137 | 101 Ų | 101 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60 | -37.9 | 176.8 | -73 | 175.3 | -178.2 | 177.2 | 0 | 112.7 | Q870 S871 E878 | Q870-K874 WeakPolarHBondContact O-CG 3.14Å; Q870-K874 PolarHBondContact O-N 3.05Å; S871-K874 PolarHBondContact O-N 3.45Å; K874-E878 PolarHBondContact O-N 2.81Å; K874-E878 VanDerWaalsContact O-N 3.15Å |
| 875 | L | 89.5 | Confident | 88.4 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 177.5 | -172.3 | 69.8 | 0 | 0 | 0 | 111.3 | S871 N872 V873 E878 I879 | S871-L875 WeakPolarHBondContact O-CB 3.49Å; S871-L875 PolarHBondContact O-N 2.75Å; N872-L875 PolarHBondContact O-N 3.33Å; V873-L875 VanDerWaalsContact C-N 3.27Å; V873-L875 PolarHBondContact O-N 2.88Å; L875-E878 PolarHBondContact O-N 2.76Å; L875-I879 HydrophobicContact CG-CD1 4.04Å; L875-I879 WeakPolarHBondContact O-CG1 3.23Å; L875-I879 PolarHBondContact O-N 2.86Å |
| 876 | H | 85.8 | Confident | 88.4 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 175.4 | -75.9 | -58.7 | 0 | 0 | 0 | 112.2 | N872 V873 E878 I879 E880 | N872-H876 PolarHBondContact O-CD2 2.98Å; N872-H876 PolarHBondContact O-N 3.15Å; V873-H876 PolarHBondContact O-N 3.08Å; H876-E878 PolarHBondContact O-N 3.4Å; H876-I879 PolarHBondContact O-N 2.95Å; H876-E880 PolarHBondContact O-N 2.86Å |
| 877 | E | 89.3 | Confident | 88.2 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -31.6 | 175.8 | -72.6 | 175.6 | 178.7 | 0 | 0 | 112.8 | V873 R881 | V873-E877 HydrophobicContact CG1-CG 4.49Å; V873-E877 WeakPolarHBondContact O-CG 3.34Å; V873-E877 PolarHBondContact O-N 2.93Å; E877-R881 PolarHBondContact O-N 2.9Å; E877-R881 PolarHBondContact O-NE 2.77Å |
| 878 | E | 90.1 | Very high | 88.2 | Confident | 72 Ų | 72 | 105.9 Ų | 105.9 | 34% | 0.336 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.6 | -43 | 175.2 | -176.6 | 59.7 | -146.2 | 0 | 0 | 111.8 | K874 L875 H876 R881 Q882 | K874-E878 PolarHBondContact O-N 2.81Å; K874-E878 VanDerWaalsContact O-N 3.15Å; L875-E878 PolarHBondContact O-N 2.76Å; H876-E878 PolarHBondContact O-N 3.4Å; E878-R881 PolarHBondContact O-N 2.83Å; E878-R881 IonicContact OE2-CZ 3.72Å; E878-R881 IonicContact OE2-NH1 2.68Å; E878-R881 PolarHBondContact OE2-NH1 2.74Å; E878-R881 IonicContact OE2-NH2 3.39Å; E878-R881 PolarHBondContact OE2-NH2 2.8Å; E878-Q882 WeakPolarHBondContact O-CG 3.08Å; E878-Q882 PolarHBondContact O-N 2.87Å; E878-Q882 PolarHBondContact OE1-NE2 2.94Å |
| 879 | I | 87.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 104.4 Ų | 104.4 | 34% | 0.344 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.3 | -68.8 | 167.6 | 0 | 0 | 0 | 110.6 | L875 H876 R881 Q882 C883 | L875-I879 HydrophobicContact CG-CD1 4.04Å; L875-I879 WeakPolarHBondContact O-CG1 3.23Å; L875-I879 PolarHBondContact O-N 2.86Å; H876-I879 PolarHBondContact O-N 2.95Å; I879-R881 PolarHBondContact O-N 3.19Å; I879-Q882 PolarHBondContact O-N 3.4Å; I879-C883 WeakPolarHBondContact O-CB 3.42Å; I879-C883 PolarHBondContact O-N 2.89Å; I879-C883 PolarHBondContact O-SG 3.33Å; I879-C883 VanDerWaalsContact O-SG 3.41Å |
| 880 | E | 86.4 | Confident | 88 | Confident | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.6 | -46.5 | 176.5 | -78.1 | -176.2 | 166.1 | 0 | 0 | 111.6 | H876 Q882 C883 E884 | H876-E880 PolarHBondContact O-N 2.86Å; E880-Q882 VanDerWaalsContact C-N 3.29Å; E880-Q882 PolarHBondContact O-N 2.91Å; E880-C883 PolarHBondContact O-N 2.82Å; E880-E884 WeakPolarHBondContact O-CG 3.37Å; E880-E884 PolarHBondContact O-N 3.24Å |
| 881 | R | 87.6 | Confident | 88 | Confident | 137 Ų | 137 | 103 Ų | 103 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 174.9 | -89.3 | -174.7 | -75.9 | 127.9 | 3 | 112.6 | E877 E878 I879 S885 | E877-R881 PolarHBondContact O-N 2.9Å; E877-R881 PolarHBondContact O-NE 2.77Å; E878-R881 PolarHBondContact O-N 2.83Å; E878-R881 IonicContact OE2-CZ 3.72Å; E878-R881 IonicContact OE2-NH1 2.68Å; E878-R881 PolarHBondContact OE2-NH1 2.74Å; E878-R881 IonicContact OE2-NH2 3.39Å; E878-R881 PolarHBondContact OE2-NH2 2.8Å; I879-R881 PolarHBondContact O-N 3.19Å; R881-S885 WeakPolarHBondContact O-CB 3.48Å; R881-S885 PolarHBondContact O-N 3.48Å; R881-S885 VanDerWaalsContact O-N 3.14Å |
| 882 | Q | 87.1 | Confident | 88 | Confident | 114 Ų | 114 | 103.2 Ų | 103.2 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 177.3 | -72.6 | -178.5 | 18.9 | 0 | 0 | 112.3 | E878 I879 E880 S885 R886 | E878-Q882 WeakPolarHBondContact O-CG 3.08Å; E878-Q882 PolarHBondContact O-N 2.87Å; E878-Q882 PolarHBondContact OE1-NE2 2.94Å; I879-Q882 PolarHBondContact O-N 3.4Å; E880-Q882 VanDerWaalsContact C-N 3.29Å; E880-Q882 PolarHBondContact O-N 2.91Å; Q882-S885 PolarHBondContact O-N 3.03Å; Q882-R886 PolarHBondContact O-N 2.93Å |
| 883 | C | 85.7 | Confident | 88.1 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.1 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | I879 E880 S885 R886 W887 | I879-C883 WeakPolarHBondContact O-CB 3.42Å; I879-C883 PolarHBondContact O-N 2.89Å; I879-C883 PolarHBondContact O-SG 3.33Å; I879-C883 VanDerWaalsContact O-SG 3.41Å; E880-C883 PolarHBondContact O-N 2.82Å; C883-S885 VanDerWaalsContact C-N 3.32Å; C883-S885 PolarHBondContact O-N 3.37Å; C883-R886 PolarHBondContact O-N 3.22Å; C883-W887 PolarHBondContact O-N 3.04Å |
| 884 | E | 87.3 | Confident | 88 | Confident | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 176.6 | -75.7 | -173.8 | 162.5 | 0 | 0 | 111.9 | E880 K888 | E880-E884 WeakPolarHBondContact O-CG 3.37Å; E880-E884 PolarHBondContact O-N 3.24Å; E884-K888 VanDerWaalsContact O-CB 3.28Å; E884-K888 WeakPolarHBondContact O-CB 3.48Å; E884-K888 PolarHBondContact O-N 3.35Å |
| 885 | S | 88.2 | Confident | 87.9 | Confident | 79 Ų | 79 | 105.2 Ų | 105.2 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 176.7 | -172 | 0 | 0 | 0 | 0 | 112.7 | R881 Q882 C883 K888 T889 | R881-S885 WeakPolarHBondContact O-CB 3.48Å; R881-S885 PolarHBondContact O-N 3.48Å; R881-S885 VanDerWaalsContact O-N 3.14Å; Q882-S885 PolarHBondContact O-N 3.03Å; C883-S885 VanDerWaalsContact C-N 3.32Å; C883-S885 PolarHBondContact O-N 3.37Å; S885-K888 WeakPolarHBondContact O-CB 3.44Å; S885-T889 PolarHBondContact O-N 2.9Å; S885-T889 PolarHBondContact O-OG1 3.04Å |
| 886 | R | 89.3 | Confident | 87.9 | Confident | 142 Ų | 142 | 104.4 Ų | 104.4 | 54% | 0.536 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 175.3 | -101.3 | -171 | 168.9 | -167.2 | -0.8 | 112.5 | Q882 C883 K888 T889 E890 | Q882-R886 PolarHBondContact O-N 2.93Å; C883-R886 PolarHBondContact O-N 3.22Å; R886-K888 VanDerWaalsContact C-N 3.29Å; R886-K888 PolarHBondContact O-N 2.91Å; R886-T889 WeakPolarHBondContact CA-OG1 3.42Å; R886-T889 PolarHBondContact O-N 3.33Å; R886-T889 PolarHBondContact O-OG1 2.92Å; R886-E890 PolarHBondContact O-N 2.92Å |
| 887 | W | 85.4 | Confident | 88 | Confident | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -35.7 | 178.4 | -72.5 | -16.5 | 0 | 0 | 0 | 112.2 | C883 T889 L891 | C883-W887 PolarHBondContact O-N 3.04Å; W887-T889 VanDerWaalsContact C-N 3.33Å; W887-T889 PolarHBondContact O-N 2.87Å; W887-L891 WeakPolarHBondContact O-CB 3.29Å; W887-L891 PolarHBondContact O-N 3.05Å |
| 888 | K | 89.8 | Confident | 88 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -55.9 | -48.8 | 172.3 | -170 | 90.7 | 178 | 176.7 | 0 | 111.3 | E884 S885 R886 D892 | E884-K888 VanDerWaalsContact O-CB 3.28Å; E884-K888 WeakPolarHBondContact O-CB 3.48Å; E884-K888 PolarHBondContact O-N 3.35Å; S885-K888 WeakPolarHBondContact O-CB 3.44Å; R886-K888 VanDerWaalsContact C-N 3.29Å; R886-K888 PolarHBondContact O-N 2.91Å; K888-D892 PolarHBondContact O-N 2.93Å; K888-D892 VanDerWaalsContact O-N 3.15Å |
| 889 | T | 87.7 | Confident | 88 | Confident | 86 Ų | 86 | 106.8 Ų | 106.8 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | -178 | 34.1 | 0 | 0 | 0 | 0 | 113 | S885 R886 W887 D892 S893 | S885-T889 PolarHBondContact O-N 2.9Å; S885-T889 PolarHBondContact O-OG1 3.04Å; R886-T889 WeakPolarHBondContact CA-OG1 3.42Å; R886-T889 PolarHBondContact O-N 3.33Å; R886-T889 PolarHBondContact O-OG1 2.92Å; W887-T889 VanDerWaalsContact C-N 3.33Å; W887-T889 PolarHBondContact O-N 2.87Å; T889-D892 PolarHBondContact O-N 3.17Å; T889-S893 PolarHBondContact O-N 3.48Å |
| 890 | E | 87.5 | Confident | 87.9 | Confident | 92 Ų | 92 | 108.1 Ų | 108.1 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174 | -73.9 | 178.9 | -175.9 | 0 | 0 | 111.9 | R886 D892 S893 Y894 | R886-E890 PolarHBondContact O-N 2.92Å; E890-D892 VanDerWaalsContact C-N 3.28Å; E890-D892 PolarHBondContact O-N 2.98Å; E890-S893 WeakPolarHBondContact O-CB 3.37Å; E890-S893 PolarHBondContact O-N 3.49Å; E890-S893 VanDerWaalsContact O-N 3.15Å; E890-Y894 HydrophobicContact CB-CE2 4.34Å; E890-Y894 WeakPolarHBondContact O-CD2 3.26Å; E890-Y894 PolarHBondContact O-N 3.37Å |
| 891 | L | 87.7 | Confident | 87.9 | Confident | 86 Ų | 86 | 107.2 Ų | 107.2 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 178.3 | -171.9 | 67.3 | 0 | 0 | 0 | 111.7 | W887 R895 | W887-L891 WeakPolarHBondContact O-CB 3.29Å; W887-L891 PolarHBondContact O-N 3.05Å; L891-R895 WeakPolarHBondContact O-CG 3.45Å; L891-R895 PolarHBondContact O-N 2.91Å |
| 892 | D | 89.3 | Confident | 88 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 175.8 | -70.8 | -22.4 | 0 | 0 | 0 | 112.2 | K888 T889 E890 R895 E896 | K888-D892 PolarHBondContact O-N 2.93Å; K888-D892 VanDerWaalsContact O-N 3.15Å; T889-D892 PolarHBondContact O-N 3.17Å; E890-D892 VanDerWaalsContact C-N 3.28Å; E890-D892 PolarHBondContact O-N 2.98Å; D892-R895 PolarHBondContact O-N 3.35Å; D892-R895 IonicContact OD1-NE 3.59Å; D892-E896 PolarHBondContact O-N 3.37Å; D892-E896 VanDerWaalsContact O-N 3.1Å |
| 893 | S | 88.6 | Confident | 88.1 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 43% | 0.427 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 172 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | T889 E890 R895 E896 Q897 | T889-S893 PolarHBondContact O-N 3.48Å; E890-S893 WeakPolarHBondContact O-CB 3.37Å; E890-S893 PolarHBondContact O-N 3.49Å; E890-S893 VanDerWaalsContact O-N 3.15Å; S893-R895 VanDerWaalsContact C-N 3.34Å; S893-R895 PolarHBondContact O-N 2.99Å; S893-E896 PolarHBondContact O-N 2.95Å; S893-E896 VanDerWaalsContact O-N 3.11Å; S893-Q897 WeakPolarHBondContact O-CG 3.3Å; S893-Q897 PolarHBondContact O-N 3.01Å |
| 894 | Y | 87.6 | Confident | 88.1 | Confident | 141 Ų | 141 | 107.8 Ų | 107.8 | 55% | 0.553 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 176.7 | -73 | -57.6 | 0 | 0 | 0 | 112.3 | E890 E896 Q897 V898 | E890-Y894 HydrophobicContact CB-CE2 4.34Å; E890-Y894 WeakPolarHBondContact O-CD2 3.26Å; E890-Y894 PolarHBondContact O-N 3.37Å; Y894-E896 VanDerWaalsContact C-N 3.26Å; Y894-E896 PolarHBondContact O-N 3.25Å; Y894-Q897 PolarHBondContact O-N 2.7Å; Y894-V898 VanDerWaalsContact O-CG2 3.31Å; Y894-V898 WeakPolarHBondContact O-CG2 3.44Å; Y894-V898 PolarHBondContact O-N 2.82Å |
| 895 | R | 89.8 | Confident | 88 | Confident | 122 Ų | 122 | 105.8 Ų | 105.8 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 173.4 | -78.2 | -173.4 | -127.5 | -87.9 | 10.6 | 111.8 | L891 D892 S893 R899 | L891-R895 WeakPolarHBondContact O-CG 3.45Å; L891-R895 PolarHBondContact O-N 2.91Å; D892-R895 PolarHBondContact O-N 3.35Å; D892-R895 IonicContact OD1-NE 3.59Å; S893-R895 VanDerWaalsContact C-N 3.34Å; S893-R895 PolarHBondContact O-N 2.99Å; R895-R899 PolarHBondContact O-N 2.76Å; R895-R899 VanDerWaalsContact O-N 3.15Å |
| 896 | E | 88.3 | Confident | 87.9 | Confident | 77 Ų | 77 | 105 Ų | 105 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.1 | -42.2 | 178.3 | -170.3 | 53.4 | -147.7 | 0 | 0 | 112.1 | D892 S893 Y894 V898 R899 Q900 | D892-E896 PolarHBondContact O-N 3.37Å; D892-E896 VanDerWaalsContact O-N 3.1Å; S893-E896 PolarHBondContact O-N 2.95Å; S893-E896 VanDerWaalsContact O-N 3.11Å; Y894-E896 VanDerWaalsContact C-N 3.26Å; Y894-E896 PolarHBondContact O-N 3.25Å; E896-V898 VanDerWaalsContact C-N 3.29Å; E896-V898 PolarHBondContact O-N 3.14Å; E896-R899 WeakPolarHBondContact O-CB 3.49Å; E896-R899 PolarHBondContact O-N 2.81Å; E896-R899 IonicContact OE2-CZ 3.76Å; E896-R899 IonicContact OE2-NH1 2.72Å; E896-R899 PolarHBondContact OE2-NH1 2.86Å; E896-Q900 WeakPolarHBondContact O-CG 3.39Å; E896-Q900 PolarHBondContact O-N 3.13Å; E896-Q900 PolarHBondContact OE1-NE2 3.4Å |
| 897 | Q | 87.2 | Confident | 88 | Confident | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 173.6 | -70.5 | 178.3 | 17 | 0 | 0 | 112 | S893 Y894 R899 Q900 H901 | S893-Q897 WeakPolarHBondContact O-CG 3.3Å; S893-Q897 PolarHBondContact O-N 3.01Å; Y894-Q897 PolarHBondContact O-N 2.7Å; Q897-R899 VanDerWaalsContact C-N 3.33Å; Q897-R899 PolarHBondContact O-N 2.83Å; Q897-Q900 PolarHBondContact O-N 2.75Å; Q897-H901 PolarHBondContact O-N 3.44Å; Q897-H901 PolarHBondContact O-ND1 3.44Å |
| 898 | V | 89.6 | Confident | 87.8 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 176 | 172 | 0 | 0 | 0 | 0 | 111.3 | Y894 E896 S902 | Y894-V898 VanDerWaalsContact O-CG2 3.31Å; Y894-V898 WeakPolarHBondContact O-CG2 3.44Å; Y894-V898 PolarHBondContact O-N 2.82Å; E896-V898 VanDerWaalsContact C-N 3.29Å; E896-V898 PolarHBondContact O-N 3.14Å; V898-S902 WeakPolarHBondContact O-CB 3.43Å; V898-S902 PolarHBondContact O-N 3.15Å |
| 899 | R | 90.2 | Very high | 87.7 | Confident | 127 Ų | 127 | 98.6 Ų | 98.6 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.7 | -73.2 | -173.5 | -159.7 | 99.8 | 5.1 | 112.2 | R895 E896 Q897 R903 | R895-R899 PolarHBondContact O-N 2.76Å; R895-R899 VanDerWaalsContact O-N 3.15Å; E896-R899 WeakPolarHBondContact O-CB 3.49Å; E896-R899 PolarHBondContact O-N 2.81Å; E896-R899 IonicContact OE2-CZ 3.76Å; E896-R899 IonicContact OE2-NH1 2.72Å; E896-R899 PolarHBondContact OE2-NH1 2.86Å; Q897-R899 VanDerWaalsContact C-N 3.33Å; Q897-R899 PolarHBondContact O-N 2.83Å; R899-R903 PolarHBondContact O-N 3.49Å; R899-R903 VanDerWaalsContact O-N 3.16Å |
| 900 | Q | 85.2 | Confident | 87.7 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -47.7 | 179.1 | -65.2 | -61.2 | -25.5 | 0 | 0 | 111.4 | E896 Q897 S902 R903 T904 | E896-Q900 WeakPolarHBondContact O-CG 3.39Å; E896-Q900 PolarHBondContact O-N 3.13Å; E896-Q900 PolarHBondContact OE1-NE2 3.4Å; Q897-Q900 PolarHBondContact O-N 2.75Å; Q900-S902 VanDerWaalsContact C-N 3.31Å; Q900-S902 PolarHBondContact O-N 2.98Å; Q900-R903 PolarHBondContact O-N 3.41Å; Q900-R903 VanDerWaalsContact O-N 3.14Å; Q900-T904 PolarHBondContact O-N 3.45Å; Q900-T904 PolarHBondContact O-OG1 3.01Å; Q900-T904 VanDerWaalsContact O-OG1 3.12Å |
| 901 | H | 86.4 | Confident | 87.8 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.8 | -70.2 | 129.8 | 0 | 0 | 0 | 112.2 | Q897 R903 T904 I905 | Q897-H901 PolarHBondContact O-N 3.44Å; Q897-H901 PolarHBondContact O-ND1 3.44Å; H901-R903 VanDerWaalsContact C-N 3.31Å; H901-R903 PolarHBondContact O-N 2.84Å; H901-T904 PolarHBondContact O-N 3Å; H901-I905 VanDerWaalsContact O-CG1 3.27Å; H901-I905 WeakPolarHBondContact O-CG1 3.47Å; H901-I905 PolarHBondContact O-N 3.31Å |
| 902 | S | 90.6 | Very high | 87.7 | Confident | 71 Ų | 71 | 105.6 Ų | 105.6 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 176.3 | 179.6 | 0 | 0 | 0 | 0 | 112 | V898 Q900 C906 | V898-S902 WeakPolarHBondContact O-CB 3.43Å; V898-S902 PolarHBondContact O-N 3.15Å; Q900-S902 VanDerWaalsContact C-N 3.31Å; Q900-S902 PolarHBondContact O-N 2.98Å; S902-C906 PolarHBondContact O-N 3.18Å; S902-C906 PolarHBondContact O-SG 3.32Å |
| 903 | R | 87.8 | Confident | 87.7 | Confident | 172 Ų | 172 | 106.7 Ų | 106.7 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 174.7 | -71.2 | 178.8 | -167.8 | -122.1 | 3.6 | 112.3 | R899 Q900 H901 C906 V907 | R899-R903 PolarHBondContact O-N 3.49Å; R899-R903 VanDerWaalsContact O-N 3.16Å; Q900-R903 PolarHBondContact O-N 3.41Å; Q900-R903 VanDerWaalsContact O-N 3.14Å; H901-R903 VanDerWaalsContact C-N 3.31Å; H901-R903 PolarHBondContact O-N 2.84Å; R903-C906 PolarHBondContact O-N 2.92Å; R903-V907 WeakPolarHBondContact O-CG2 3.44Å; R903-V907 PolarHBondContact O-N 3.4Å |
| 904 | T | 86.7 | Confident | 87.7 | Confident | 75 Ų | 75 | 110.3 Ų | 110.3 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | -179.3 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | Q900 H901 C906 V907 M908 | Q900-T904 PolarHBondContact O-N 3.45Å; Q900-T904 PolarHBondContact O-OG1 3.01Å; Q900-T904 VanDerWaalsContact O-OG1 3.12Å; H901-T904 PolarHBondContact O-N 3Å; T904-C906 PolarHBondContact O-N 2.85Å; T904-V907 PolarHBondContact O-N 2.97Å; T904-M908 HydrophobicContact CG2-CG 4.47Å; T904-M908 HydrophobicContact CG2-SD 4.18Å; T904-M908 WeakPolarHBondContact O-CG 3.49Å; T904-M908 PolarHBondContact O-N 3.48Å |
| 905 | I | 84.7 | Confident | 87.7 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 177.3 | -69.1 | 165.8 | 0 | 0 | 0 | 110.1 | H901 V907 M908 E909 | H901-I905 VanDerWaalsContact O-CG1 3.27Å; H901-I905 WeakPolarHBondContact O-CG1 3.47Å; H901-I905 PolarHBondContact O-N 3.31Å; I905-V907 VanDerWaalsContact C-N 3.32Å; I905-V907 PolarHBondContact O-N 3.42Å; I905-M908 PolarHBondContact O-N 2.91Å; I905-M908 VanDerWaalsContact O-N 3.16Å; I905-E909 HydrophobicContact CG2-CG 4.29Å; I905-E909 WeakPolarHBondContact O-CG 3.26Å; I905-E909 PolarHBondContact O-N 2.68Å |
| 906 | C | 87.3 | Confident | 87.5 | Confident | 64 Ų | 64 | 106.6 Ų | 106.6 | 43% | 0.432 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 178.9 | -64 | 0 | 0 | 0 | 0 | 112.2 | S902 R903 T904 E909 E910 | S902-C906 PolarHBondContact O-N 3.18Å; S902-C906 PolarHBondContact O-SG 3.32Å; R903-C906 PolarHBondContact O-N 2.92Å; T904-C906 PolarHBondContact O-N 2.85Å; C906-E909 PolarHBondContact O-N 2.88Å; C906-E910 PolarHBondContact O-N 3.46Å; C906-E910 VanDerWaalsContact O-N 3.13Å |
| 907 | V | 90.6 | Very high | 87.6 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 59% | 0.594 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 178.8 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | R903 T904 I905 R911 | R903-V907 WeakPolarHBondContact O-CG2 3.44Å; R903-V907 PolarHBondContact O-N 3.4Å; T904-V907 PolarHBondContact O-N 2.97Å; I905-V907 VanDerWaalsContact C-N 3.32Å; I905-V907 PolarHBondContact O-N 3.42Å; V907-R911 PolarHBondContact O-N 3.46Å; V907-R911 VanDerWaalsContact O-N 3.14Å |
| 908 | M | 81.2 | Confident | 87.6 | Confident | 112 Ų | 112 | 111.3 Ų | 111.3 | 55% | 0.552 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 177.4 | -77.3 | -175.8 | 55.6 | 0 | 0 | 112.2 | T904 I905 R911 L912 | T904-M908 HydrophobicContact CG2-CG 4.47Å; T904-M908 HydrophobicContact CG2-SD 4.18Å; T904-M908 WeakPolarHBondContact O-CG 3.49Å; T904-M908 PolarHBondContact O-N 3.48Å; I905-M908 PolarHBondContact O-N 2.91Å; I905-M908 VanDerWaalsContact O-N 3.16Å; M908-R911 PolarHBondContact O-N 2.86Å; M908-L912 PolarHBondContact O-N 3.38Å |
| 909 | E | 87.1 | Confident | 87.5 | Confident | 116 Ų | 116 | 112.8 Ų | 112.8 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.6 | -46.2 | 175.4 | -74 | 176.2 | 163.7 | 0 | 0 | 111.2 | I905 C906 R911 L912 V913 | I905-E909 HydrophobicContact CG2-CG 4.29Å; I905-E909 WeakPolarHBondContact O-CG 3.26Å; I905-E909 PolarHBondContact O-N 2.68Å; C906-E909 PolarHBondContact O-N 2.88Å; E909-R911 VanDerWaalsContact C-N 3.3Å; E909-R911 PolarHBondContact O-N 2.92Å; E909-L912 PolarHBondContact O-N 3.33Å; E909-V913 WeakPolarHBondContact O-CG2 3.33Å; E909-V913 PolarHBondContact O-N 3.26Å |
| 910 | E | 88.5 | Confident | 87.4 | Confident | 126 Ų | 126 | 114.4 Ų | 114.4 | 59% | 0.589 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.4 | -39.1 | 174.6 | -75.8 | -173 | -178.8 | 0 | 0 | 112.9 | C906 K914 | C906-E910 PolarHBondContact O-N 3.46Å; C906-E910 VanDerWaalsContact O-N 3.13Å; E910-K914 PolarHBondContact O-N 3.41Å; E910-K914 VanDerWaalsContact O-N 3.16Å |
| 911 | R | 89.2 | Confident | 87.7 | Confident | 179 Ų | 179 | 114.3 Ų | 114.3 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.8 | -40.9 | 179.2 | -170.5 | 176.3 | 176.2 | 178.5 | -1.5 | 111.9 | V907 M908 E909 V913 K914 L915 | V907-R911 PolarHBondContact O-N 3.46Å; V907-R911 VanDerWaalsContact O-N 3.14Å; M908-R911 PolarHBondContact O-N 2.86Å; E909-R911 VanDerWaalsContact C-N 3.3Å; E909-R911 PolarHBondContact O-N 2.92Å; R911-V913 VanDerWaalsContact C-N 3.34Å; R911-K914 PolarHBondContact O-N 2.92Å; R911-L915 HydrophobicContact CG-CD1 4.46Å; R911-L915 PolarHBondContact O-N 3.38Å |
| 912 | L | 86.2 | Confident | 87.5 | Confident | 106 Ų | 106 | 112.4 Ų | 112.4 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | 176.3 | -77.3 | 172.5 | 0 | 0 | 0 | 111.8 | M908 E909 K914 L915 T916 | M908-L912 PolarHBondContact O-N 3.38Å; E909-L912 PolarHBondContact O-N 3.33Å; L912-K914 VanDerWaalsContact C-N 3.35Å; L912-K914 PolarHBondContact O-N 3.35Å; L912-L915 PolarHBondContact O-N 2.87Å; L912-T916 WeakPolarHBondContact O-CB 3.43Å; L912-T916 PolarHBondContact O-N 3.24Å; L912-T916 PolarHBondContact O-OG1 2.89Å |
| 913 | V | 88.7 | Confident | 87.3 | Confident | 104 Ų | 104 | 116.1 Ų | 116.1 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.1 | -43.7 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | E909 R911 T916 K917 | E909-V913 WeakPolarHBondContact O-CG2 3.33Å; E909-V913 PolarHBondContact O-N 3.26Å; R911-V913 VanDerWaalsContact C-N 3.34Å; V913-T916 PolarHBondContact O-N 2.99Å; V913-K917 PolarHBondContact O-N 3.37Å; V913-K917 VanDerWaalsContact O-N 3.1Å |
| 914 | K | 88.8 | Confident | 87.1 | Confident | 137 Ų | 137 | 109.3 Ų | 109.3 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -46.3 | 176.6 | -76.1 | 174.4 | -178.6 | 167 | 0 | 112.7 | E910 R911 L912 T916 K917 Q918 | E910-K914 PolarHBondContact O-N 3.41Å; E910-K914 VanDerWaalsContact O-N 3.16Å; R911-K914 PolarHBondContact O-N 2.92Å; L912-K914 VanDerWaalsContact C-N 3.35Å; L912-K914 PolarHBondContact O-N 3.35Å; K914-T916 VanDerWaalsContact C-N 3.34Å; K914-T916 PolarHBondContact O-N 2.94Å; K914-K917 WeakPolarHBondContact O-CB 3.31Å; K914-K917 PolarHBondContact O-N 2.83Å; K914-Q918 PolarHBondContact O-N 3.06Å |
| 915 | L | 87 | Confident | 87.1 | Confident | 88 Ų | 88 | 112 Ų | 112 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -41.4 | 178.7 | -77.8 | 169.4 | 0 | 0 | 0 | 112 | R911 L912 K917 Q918 L919 | R911-L915 HydrophobicContact CG-CD1 4.46Å; R911-L915 PolarHBondContact O-N 3.38Å; L912-L915 PolarHBondContact O-N 2.87Å; L915-K917 VanDerWaalsContact C-N 3.28Å; L915-K917 PolarHBondContact O-N 2.86Å; L915-Q918 PolarHBondContact O-N 2.86Å; L915-L919 PolarHBondContact O-N 3.02Å |
| 916 | T | 86.1 | Confident | 87 | Confident | 97 Ų | 97 | 112 Ų | 112 | 60% | 0.595 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | L912 V913 K914 K920 | L912-T916 WeakPolarHBondContact O-CB 3.43Å; L912-T916 PolarHBondContact O-N 3.24Å; L912-T916 PolarHBondContact O-OG1 2.89Å; V913-T916 PolarHBondContact O-N 2.99Å; K914-T916 VanDerWaalsContact C-N 3.34Å; K914-T916 PolarHBondContact O-N 2.94Å; T916-K920 PolarHBondContact O-N 3.28Å |
| 917 | K | 90.1 | Very high | 86.8 | Confident | 145 Ų | 145 | 112.1 Ų | 112.1 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.1 | -49.1 | 174.5 | -174.5 | 176.5 | 178.4 | -179.7 | 0 | 111.9 | V913 K914 L915 L919 K920 D921 | V913-K917 PolarHBondContact O-N 3.37Å; V913-K917 VanDerWaalsContact O-N 3.1Å; K914-K917 WeakPolarHBondContact O-CB 3.31Å; K914-K917 PolarHBondContact O-N 2.83Å; L915-K917 VanDerWaalsContact C-N 3.28Å; L915-K917 PolarHBondContact O-N 2.86Å; K917-L919 VanDerWaalsContact C-N 3.31Å; K917-L919 PolarHBondContact O-N 2.97Å; K917-K920 WeakPolarHBondContact O-CB 3.33Å; K917-K920 PolarHBondContact O-N 3.33Å; K917-K920 VanDerWaalsContact O-N 3.15Å; K917-D921 PolarHBondContact O-N 2.88Å; K917-D921 VanDerWaalsContact O-N 3.1Å |
| 918 | Q | 87.9 | Confident | 86.5 | Confident | 120 Ų | 120 | 114.4 Ų | 114.4 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.9 | -42.9 | 178 | -73.6 | 179.5 | -11.8 | 0 | 0 | 112.2 | K914 L915 K920 D921 S922 | K914-Q918 PolarHBondContact O-N 3.06Å; L915-Q918 PolarHBondContact O-N 2.86Å; Q918-K920 VanDerWaalsContact C-N 3.3Å; Q918-K920 PolarHBondContact O-N 3.02Å; Q918-D921 PolarHBondContact O-N 3.04Å; Q918-S922 PolarHBondContact O-N 3.42Å; Q918-S922 PolarHBondContact O-OG 3.44Å |
| 919 | L | 86.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 114.9 Ų | 114.9 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -35.4 | 179.5 | -162.5 | 122.9 | 0 | 0 | 0 | 112.4 | L915 K917 K923 | L915-L919 PolarHBondContact O-N 3.02Å; K917-L919 VanDerWaalsContact C-N 3.31Å; K917-L919 PolarHBondContact O-N 2.97Å; L919-K923 WeakPolarHBondContact O-CB 3.48Å; L919-K923 PolarHBondContact O-N 2.91Å; L919-K923 VanDerWaalsContact O-N 3.09Å |
| 920 | K | 89.3 | Confident | 86.6 | Confident | 162 Ų | 162 | 116.8 Ų | 116.8 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.5 | -42.2 | 175.1 | -173.1 | 178.1 | 179.5 | 179.8 | 0 | 111.8 | T916 K917 Q918 K923 G924 | T916-K920 PolarHBondContact O-N 3.28Å; K917-K920 WeakPolarHBondContact O-CB 3.33Å; K917-K920 PolarHBondContact O-N 3.33Å; K917-K920 VanDerWaalsContact O-N 3.15Å; Q918-K920 VanDerWaalsContact C-N 3.3Å; Q918-K920 PolarHBondContact O-N 3.02Å; K920-K923 PolarHBondContact O-N 3.49Å; K920-G924 PolarHBondContact O-N 3.45Å |
| 921 | D | 90 | Very high | 86.3 | Confident | 94 Ų | 94 | 118.3 Ų | 118.3 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.6 | -47.2 | 179.7 | -65.3 | -23 | 0 | 0 | 0 | 111.2 | K917 Q918 K923 G924 E925 | K917-D921 PolarHBondContact O-N 2.88Å; K917-D921 VanDerWaalsContact O-N 3.1Å; Q918-D921 PolarHBondContact O-N 3.04Å; D921-K923 VanDerWaalsContact C-N 3.34Å; D921-K923 PolarHBondContact O-N 3.17Å; D921-G924 WeakPolarHBondContact O-CA 3.41Å; D921-G924 PolarHBondContact O-N 2.9Å; D921-E925 PolarHBondContact O-N 3.22Å |
| 922 | S | 83.1 | Confident | 86.1 | Confident | 73 Ų | 73 | 114.8 Ų | 114.8 | 51% | 0.51 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -40.2 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | Q918 G924 E925 V926 | Q918-S922 PolarHBondContact O-N 3.42Å; Q918-S922 PolarHBondContact O-OG 3.44Å; S922-G924 VanDerWaalsContact C-N 3.28Å; S922-G924 PolarHBondContact O-N 3.39Å; S922-E925 PolarHBondContact O-N 3Å; S922-V926 WeakPolarHBondContact O-CG2 3.47Å; S922-V926 PolarHBondContact O-N 3.38Å; S922-V926 VanDerWaalsContact O-N 3.13Å |
| 923 | K | 85.7 | Confident | 85.9 | Confident | 149 Ų | 149 | 114.2 Ų | 114.2 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.4 | -38.2 | 173.7 | -173.4 | 175 | -178 | 175.8 | 0 | 111.4 | L919 K920 D921 V926 T927 | L919-K923 WeakPolarHBondContact O-CB 3.48Å; L919-K923 PolarHBondContact O-N 2.91Å; L919-K923 VanDerWaalsContact O-N 3.09Å; K920-K923 PolarHBondContact O-N 3.49Å; D921-K923 VanDerWaalsContact C-N 3.34Å; D921-K923 PolarHBondContact O-N 3.17Å; K923-V926 PolarHBondContact O-N 3.46Å; K923-T927 WeakPolarHBondContact O-CG2 3.4Å; K923-T927 PolarHBondContact O-N 2.93Å |
| 924 | G | 85.3 | Confident | 85.6 | Confident | 28 Ų | 28 | 112.2 Ų | 112.2 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.1 | -47.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K920 D921 S922 T927 K928 | K920-G924 PolarHBondContact O-N 3.45Å; D921-G924 WeakPolarHBondContact O-CA 3.41Å; D921-G924 PolarHBondContact O-N 2.9Å; S922-G924 VanDerWaalsContact C-N 3.28Å; S922-G924 PolarHBondContact O-N 3.39Å; G924-T927 PolarHBondContact O-N 2.95Å; G924-T927 PolarHBondContact O-OG1 3.15Å; G924-K928 PolarHBondContact O-N 3.29Å |
| 925 | E | 86.5 | Confident | 85.4 | Confident | 132 Ų | 132 | 110.4 Ų | 110.4 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.7 | -45.2 | 176.7 | -78.7 | -156.9 | 146.6 | 0 | 0 | 113.1 | D921 S922 T927 K928 L929 | D921-E925 PolarHBondContact O-N 3.22Å; S922-E925 PolarHBondContact O-N 3Å; E925-T927 VanDerWaalsContact C-N 3.25Å; E925-T927 PolarHBondContact O-N 2.86Å; E925-K928 WeakPolarHBondContact O-CB 3.27Å; E925-K928 PolarHBondContact O-N 3.43Å; E925-L929 PolarHBondContact O-N 3.06Å |
| 926 | V | 82.4 | Confident | 85.1 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.4 | -40.1 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | S922 K923 K928 L929 K930 | S922-V926 WeakPolarHBondContact O-CG2 3.47Å; S922-V926 PolarHBondContact O-N 3.38Å; S922-V926 VanDerWaalsContact O-N 3.13Å; K923-V926 PolarHBondContact O-N 3.46Å; V926-K928 VanDerWaalsContact C-N 3.33Å; V926-K928 PolarHBondContact O-N 2.86Å; V926-L929 PolarHBondContact O-N 2.96Å; V926-K930 WeakPolarHBondContact O-CB 3.45Å; V926-K930 PolarHBondContact O-N 3.39Å |
| 927 | T | 81.8 | Confident | 84.8 | Confident | 65 Ų | 65 | 112.3 Ų | 112.3 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -29.9 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | K923 G924 E925 R931 | K923-T927 WeakPolarHBondContact O-CG2 3.4Å; K923-T927 PolarHBondContact O-N 2.93Å; G924-T927 PolarHBondContact O-N 2.95Å; G924-T927 PolarHBondContact O-OG1 3.15Å; E925-T927 VanDerWaalsContact C-N 3.25Å; E925-T927 PolarHBondContact O-N 2.86Å; T927-R931 PolarHBondContact O-N 3.35Å; T927-R931 PolarHBondContact O-NH1 3.01Å |
| 928 | K | 86.1 | Confident | 84.4 | Confident | 147 Ų | 147 | 110 Ų | 110 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.2 | -49.4 | 174 | -72.1 | 179.8 | 179.8 | 177.1 | 0 | 111 | G924 E925 V926 K930 R931 N932 | G924-K928 PolarHBondContact O-N 3.29Å; E925-K928 WeakPolarHBondContact O-CB 3.27Å; E925-K928 PolarHBondContact O-N 3.43Å; V926-K928 VanDerWaalsContact C-N 3.33Å; V926-K928 PolarHBondContact O-N 2.86Å; K928-K930 PolarHBondContact O-N 2.91Å; K928-R931 PolarHBondContact O-N 3.28Å; K928-R931 VanDerWaalsContact O-N 3.14Å; K928-N932 PolarHBondContact O-N 2.97Å |
| 929 | L | 83.3 | Confident | 84 | Confident | 122 Ų | 122 | 109.9 Ų | 109.9 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59 | -37.6 | 178 | -71 | 173.1 | 0 | 0 | 0 | 112 | E925 V926 R931 N932 N933 | E925-L929 PolarHBondContact O-N 3.06Å; V926-L929 PolarHBondContact O-N 2.96Å; L929-R931 PolarHBondContact O-N 2.96Å; L929-N932 PolarHBondContact O-N 3.4Å; L929-N933 PolarHBondContact O-N 3.22Å; L929-N933 VanDerWaalsContact O-N 3.15Å |
| 930 | K | 86.4 | Confident | 83.5 | Confident | 155 Ų | 155 | 108.3 Ų | 108.3 | 67% | 0.674 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -37.5 | 177.5 | -162.2 | 171.5 | -174.4 | 177.2 | 0 | 113.1 | V926 K928 T934 | V926-K930 WeakPolarHBondContact O-CB 3.45Å; V926-K930 PolarHBondContact O-N 3.39Å; K928-K930 PolarHBondContact O-N 2.91Å; K930-T934 PolarHBondContact O-N 2.81Å; K930-T934 PolarHBondContact O-OG1 2.6Å |
| 931 | R | 81.7 | Confident | 83.1 | Confident | 158 Ų | 158 | 107.6 Ų | 107.6 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.9 | -45.6 | 175.4 | -74.6 | -172.8 | -171.3 | 93 | -5.5 | 112.3 | T927 K928 L929 N933 T934 D935 | T927-R931 PolarHBondContact O-N 3.35Å; T927-R931 PolarHBondContact O-NH1 3.01Å; K928-R931 PolarHBondContact O-N 3.28Å; K928-R931 VanDerWaalsContact O-N 3.14Å; L929-R931 PolarHBondContact O-N 2.96Å; R931-N933 VanDerWaalsContact C-N 3.25Å; R931-N933 PolarHBondContact O-N 2.73Å; R931-T934 WeakPolarHBondContact CA-OG1 3.33Å; R931-T934 PolarHBondContact O-N 3.16Å; R931-T934 VanDerWaalsContact O-N 3.15Å; R931-T934 PolarHBondContact O-OG1 3.49Å; R931-D935 PolarHBondContact O-N 2.85Å; R931-D935 VanDerWaalsContact O-N 3.13Å |
| 932 | N | 85.5 | Confident | 82.6 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.6 | -39.3 | 177.3 | -83 | 12.7 | 0 | 0 | 0 | 112.2 | K928 L929 D935 L936 | K928-N932 PolarHBondContact O-N 2.97Å; L929-N932 PolarHBondContact O-N 3.4Å; N932-D935 PolarHBondContact O-N 2.89Å; N932-L936 PolarHBondContact O-N 3.41Å; N932-L936 VanDerWaalsContact O-N 3.11Å |
| 933 | N | 81.6 | Confident | 82.4 | Confident | 94 Ų | 94 | 109.7 Ų | 109.7 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | 179.7 | -162.2 | 30.1 | 0 | 0 | 0 | 112.6 | L929 R931 D935 Q937 | L929-N933 PolarHBondContact O-N 3.22Å; L929-N933 VanDerWaalsContact O-N 3.15Å; R931-N933 VanDerWaalsContact C-N 3.25Å; R931-N933 PolarHBondContact O-N 2.73Å; N933-D935 VanDerWaalsContact C-N 3.34Å; N933-Q937 WeakPolarHBondContact O-CG 3.4Å; N933-Q937 PolarHBondContact O-N 3.13Å; N933-Q937 VanDerWaalsContact O-N 3.08Å |
| 934 | T | 83.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 108.2 Ų | 108.2 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 174.7 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | K930 R931 Q937 N938 | K930-T934 PolarHBondContact O-N 2.81Å; K930-T934 PolarHBondContact O-OG1 2.6Å; R931-T934 WeakPolarHBondContact CA-OG1 3.33Å; R931-T934 PolarHBondContact O-N 3.16Å; R931-T934 VanDerWaalsContact O-N 3.15Å; R931-T934 PolarHBondContact O-OG1 3.49Å; T934-Q937 PolarHBondContact O-N 2.99Å; T934-N938 VanDerWaalsContact O-CG 3.28Å; T934-N938 PolarHBondContact O-N 3.28Å; T934-N938 VanDerWaalsContact O-N 3.13Å; T934-N938 PolarHBondContact O-ND2 3.37Å |
| 935 | D | 84 | Confident | 81.4 | Confident | 98 Ų | 98 | 110.6 Ų | 110.6 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 178.3 | -64.1 | -25.6 | 0 | 0 | 0 | 111.4 | R931 N932 N933 Q937 N938 E939 | R931-D935 PolarHBondContact O-N 2.85Å; R931-D935 VanDerWaalsContact O-N 3.13Å; N932-D935 PolarHBondContact O-N 2.89Å; N933-D935 VanDerWaalsContact C-N 3.34Å; D935-Q937 VanDerWaalsContact C-N 3.34Å; D935-Q937 PolarHBondContact O-N 2.79Å; D935-N938 PolarHBondContact O-N 3.2Å; D935-N938 VanDerWaalsContact O-N 3.16Å; D935-E939 PolarHBondContact O-N 2.92Å |
| 936 | L | 80.4 | Confident | 81 | Confident | 106 Ų | 106 | 112 Ų | 112 | 56% | 0.555 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 174.8 | -73.8 | 172.9 | 0 | 0 | 0 | 112.8 | N932 N938 E939 N940 | N932-L936 PolarHBondContact O-N 3.41Å; N932-L936 VanDerWaalsContact O-N 3.11Å; L936-N938 VanDerWaalsContact C-N 3.31Å; L936-N938 PolarHBondContact O-N 2.97Å; L936-E939 PolarHBondContact O-N 3.45Å; L936-N940 WeakPolarHBondContact O-CB 3.38Å; L936-N940 PolarHBondContact O-N 2.95Å |
| 937 | Q | 80.1 | Confident | 80.8 | Confident | 119 Ų | 119 | 112.4 Ų | 112.4 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | 175.2 | -81.2 | -175.5 | -23.5 | 0 | 0 | 112.4 | N933 T934 D935 K941 | N933-Q937 WeakPolarHBondContact O-CG 3.4Å; N933-Q937 PolarHBondContact O-N 3.13Å; N933-Q937 VanDerWaalsContact O-N 3.08Å; T934-Q937 PolarHBondContact O-N 2.99Å; D935-Q937 VanDerWaalsContact C-N 3.34Å; D935-Q937 PolarHBondContact O-N 2.79Å; Q937-K941 PolarHBondContact O-N 2.92Å; Q937-K941 VanDerWaalsContact O-N 3.11Å |
| 938 | N | 80.9 | Confident | 80.5 | Confident | 97 Ų | 97 | 113.2 Ų | 113.2 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -40.5 | 178.1 | -71.2 | -26.4 | 0 | 0 | 0 | 111.9 | T934 D935 L936 K941 Q942 | T934-N938 VanDerWaalsContact O-CG 3.28Å; T934-N938 PolarHBondContact O-N 3.28Å; T934-N938 VanDerWaalsContact O-N 3.13Å; T934-N938 PolarHBondContact O-ND2 3.37Å; D935-N938 PolarHBondContact O-N 3.2Å; D935-N938 VanDerWaalsContact O-N 3.16Å; L936-N938 VanDerWaalsContact C-N 3.31Å; L936-N938 PolarHBondContact O-N 2.97Å; N938-K941 PolarHBondContact O-N 3.42Å; N938-Q942 PolarHBondContact O-N 3.29Å |
| 939 | E | 80.4 | Confident | 79.8 | Confident | 118 Ų | 118 | 111.2 Ų | 111.2 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 176.2 | -167.7 | 176.6 | -165.7 | 0 | 0 | 111.7 | D935 L936 K941 Q942 L943 | D935-E939 PolarHBondContact O-N 2.92Å; L936-E939 PolarHBondContact O-N 3.45Å; E939-K941 PolarHBondContact O-N 3.09Å; E939-Q942 WeakPolarHBondContact O-CB 3.35Å; E939-Q942 PolarHBondContact O-N 3.43Å; E939-Q942 VanDerWaalsContact O-N 3.15Å; E939-L943 PolarHBondContact O-N 2.93Å |
| 940 | N | 76.8 | Confident | 79.1 | Confident | 95 Ų | 95 | 107.9 Ų | 107.9 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 179 | -155.8 | -0.5 | 0 | 0 | 0 | 111.9 | L936 Q942 L943 Q944 | L936-N940 WeakPolarHBondContact O-CB 3.38Å; L936-N940 PolarHBondContact O-N 2.95Å; N940-Q942 VanDerWaalsContact C-N 3.33Å; N940-Q942 PolarHBondContact O-N 2.9Å; N940-L943 PolarHBondContact O-N 3.49Å; N940-Q944 PolarHBondContact O-N 2.86Å |
| 941 | K | 80.2 | Confident | 78 | Confident | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.7 | -43.2 | 172 | -88.4 | -177.1 | 175.4 | 178.1 | 0 | 112.4 | Q937 N938 E939 Q944 T945 | Q937-K941 PolarHBondContact O-N 2.92Å; Q937-K941 VanDerWaalsContact O-N 3.11Å; N938-K941 PolarHBondContact O-N 3.42Å; E939-K941 PolarHBondContact O-N 3.09Å; K941-Q944 PolarHBondContact O-N 2.96Å; K941-T945 PolarHBondContact O-N 3.43Å; K941-T945 VanDerWaalsContact O-N 3.08Å; K941-T945 PolarHBondContact O-OG1 3.25Å; K941-T945 VanDerWaalsContact O-OG1 3.06Å |
| 942 | Q | 80 | Confident | 77.2 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 177.3 | -79.5 | -176.6 | 5.5 | 0 | 0 | 112.7 | N938 E939 N940 Q944 T945 R946 | N938-Q942 PolarHBondContact O-N 3.29Å; E939-Q942 WeakPolarHBondContact O-CB 3.35Å; E939-Q942 PolarHBondContact O-N 3.43Å; E939-Q942 VanDerWaalsContact O-N 3.15Å; N940-Q942 VanDerWaalsContact C-N 3.33Å; N940-Q942 PolarHBondContact O-N 2.9Å; Q942-Q944 VanDerWaalsContact C-N 3.32Å; Q942-Q944 PolarHBondContact O-N 3.25Å; Q942-T945 PolarHBondContact O-N 3.37Å; Q942-R946 WeakPolarHBondContact O-CG 3.3Å; Q942-R946 PolarHBondContact O-N 3.49Å; Q942-R946 VanDerWaalsContact O-N 3.07Å |
| 943 | L | 78.6 | Confident | 75.8 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.1 | -70.6 | 174.1 | 0 | 0 | 0 | 111.5 | E939 N940 R946 L947 | E939-L943 PolarHBondContact O-N 2.93Å; N940-L943 PolarHBondContact O-N 3.49Å; L943-R946 PolarHBondContact O-N 2.95Å; L943-L947 WeakPolarHBondContact O-CB 3.2Å; L943-L947 PolarHBondContact O-N 3.49Å |
| 944 | Q | 75.2 | Confident | 74.4 | Confident | 117 Ų | 117 | 106.7 Ų | 106.7 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.9 | -135.6 | 123.8 | 26.4 | 0 | 0 | 111.8 | N940 K941 Q942 R946 L947 T948 | N940-Q944 PolarHBondContact O-N 2.86Å; K941-Q944 PolarHBondContact O-N 2.96Å; Q942-Q944 VanDerWaalsContact C-N 3.32Å; Q942-Q944 PolarHBondContact O-N 3.25Å; Q944-R946 PolarHBondContact O-N 3.18Å; Q944-L947 WeakPolarHBondContact O-CB 3.21Å; Q944-L947 PolarHBondContact O-N 3.38Å; Q944-T948 PolarHBondContact O-N 3.26Å; Q944-T948 PolarHBondContact O-OG1 3.04Å |
| 945 | T | 75.1 | Confident | 72.8 | Confident | 79 Ų | 79 | 111 Ų | 111 | 49% | 0.485 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.8 | -45.1 | 176 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | K941 Q942 L947 T948 E949 | K941-T945 PolarHBondContact O-N 3.43Å; K941-T945 VanDerWaalsContact O-N 3.08Å; K941-T945 PolarHBondContact O-OG1 3.25Å; K941-T945 VanDerWaalsContact O-OG1 3.06Å; Q942-T945 PolarHBondContact O-N 3.37Å; T945-L947 VanDerWaalsContact C-N 3.31Å; T945-L947 PolarHBondContact O-N 3.43Å; T945-T948 PolarHBondContact O-N 2.97Å; T945-E949 PolarHBondContact O-N 3.28Å |
| 946 | R | 78.2 | Confident | 71.2 | Confident | 162 Ų | 162 | 110.5 Ų | 110.5 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.2 | -39.2 | 175.9 | -74 | -179.7 | 176.8 | 156.3 | 2.1 | 112.4 | Q942 L943 Q944 A950 | Q942-R946 WeakPolarHBondContact O-CG 3.3Å; Q942-R946 PolarHBondContact O-N 3.49Å; Q942-R946 VanDerWaalsContact O-N 3.07Å; L943-R946 PolarHBondContact O-N 2.95Å; Q944-R946 PolarHBondContact O-N 3.18Å; R946-A950 WeakPolarHBondContact O-CB 3.44Å; R946-A950 PolarHBondContact O-N 2.92Å |
| 947 | L | 77.5 | Confident | 69.3 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -47 | 175.7 | -168.2 | 93.7 | 0 | 0 | 0 | 110.8 | L943 Q944 T945 E949 A950 H951 | L943-L947 WeakPolarHBondContact O-CB 3.2Å; L943-L947 PolarHBondContact O-N 3.49Å; Q944-L947 WeakPolarHBondContact O-CB 3.21Å; Q944-L947 PolarHBondContact O-N 3.38Å; T945-L947 VanDerWaalsContact C-N 3.31Å; T945-L947 PolarHBondContact O-N 3.43Å; L947-E949 PolarHBondContact O-N 3.02Å; L947-A950 PolarHBondContact O-N 3.42Å; L947-H951 PolarHBondContact O-N 2.87Å; L947-H951 PolarHBondContact O-ND1 2.85Å |
| 948 | T | 75 | Confident | 67.2 | Low | 83 Ų | 83 | 117.3 Ų | 117.3 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.9 | -39.7 | 179.3 | -53 | 0 | 0 | 0 | 0 | 112.3 | Q944 T945 H951 S952 | Q944-T948 PolarHBondContact O-N 3.26Å; Q944-T948 PolarHBondContact O-OG1 3.04Å; T945-T948 PolarHBondContact O-N 2.97Å; T948-H951 PolarHBondContact O-N 2.96Å; T948-S952 PolarHBondContact O-N 3.16Å; T948-S952 PolarHBondContact O-OG 3Å |
| 949 | E | 72.5 | Confident | 64.9 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -40.5 | 174.9 | -76.1 | 179.8 | -178.7 | 0 | 0 | 112.6 | T945 L947 H951 S952 R953 | T945-E949 PolarHBondContact O-N 3.28Å; L947-E949 PolarHBondContact O-N 3.02Å; E949-H951 VanDerWaalsContact C-N 3.34Å; E949-S952 PolarHBondContact O-N 3.44Å; E949-R953 PolarHBondContact O-N 3.44Å |
| 950 | A | 67.5 | Low | 62.4 | Low | 51 Ų | 51 | 121.9 Ų | 121.9 | 42% | 0.421 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R946 L947 R953 L954 | R946-A950 WeakPolarHBondContact O-CB 3.44Å; R946-A950 PolarHBondContact O-N 2.92Å; L947-A950 PolarHBondContact O-N 3.42Å; A950-R953 PolarHBondContact O-N 3.18Å; A950-L954 PolarHBondContact O-N 3.49Å |
| 951 | H | 63.6 | Low | 59.9 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 52% | 0.523 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64 | -43.4 | 174.7 | -75 | 94.4 | 0 | 0 | 0 | 112.2 | L947 T948 E949 L954 Q955 | L947-H951 PolarHBondContact O-N 2.87Å; L947-H951 PolarHBondContact O-ND1 2.85Å; T948-H951 PolarHBondContact O-N 2.96Å; E949-H951 VanDerWaalsContact C-N 3.34Å; H951-L954 PolarHBondContact O-N 3.3Å; H951-Q955 PolarHBondContact O-N 3.31Å |
| 952 | S | 64.8 | Low | 57.2 | Low | 71 Ų | 71 | 122.2 Ų | 122.2 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 177.1 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | T948 E949 L954 Q955 S956 | T948-S952 PolarHBondContact O-N 3.16Å; T948-S952 PolarHBondContact O-OG 3Å; E949-S952 PolarHBondContact O-N 3.44Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.11Å; S952-Q955 PolarHBondContact O-N 2.94Å; S952-S956 PolarHBondContact O-N 3.4Å; S952-S956 VanDerWaalsContact O-N 3.1Å |
| 953 | R | 56.9 | Low | 54.4 | Low | 179 Ų | 179 | 120.6 Ų | 120.6 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.6 | -43.7 | 173.3 | -86.4 | -178.2 | 169.2 | 130.3 | -2.5 | 111.6 | E949 A950 Q955 S956 | E949-R953 PolarHBondContact O-N 3.44Å; A950-R953 PolarHBondContact O-N 3.18Å; R953-Q955 VanDerWaalsContact C-N 3.33Å; R953-Q955 PolarHBondContact O-N 2.95Å; R953-S956 PolarHBondContact O-N 2.98Å; R953-S956 PolarHBondContact O-OG 2.88Å |
| 954 | L | 51.6 | Low | 51.8 | Low | 125 Ų | 125 | 126.8 Ų | 126.8 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.3 | -34.2 | 176.3 | -85.5 | 166.5 | 0 | 0 | 0 | 113.2 | A950 H951 S952 | A950-L954 PolarHBondContact O-N 3.49Å; H951-L954 PolarHBondContact O-N 3.3Å; S952-L954 VanDerWaalsContact C-N 3.33Å; S952-L954 PolarHBondContact O-N 3.11Å |
| 955 | Q | 50.3 | Low | 49.5 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.4 | -32.5 | -178.6 | -143.6 | 167.1 | 21.2 | 0 | 0 | 112.5 | H951 S952 R953 L957 R958 | H951-Q955 PolarHBondContact O-N 3.31Å; S952-Q955 PolarHBondContact O-N 2.94Å; R953-Q955 VanDerWaalsContact C-N 3.33Å; R953-Q955 PolarHBondContact O-N 2.95Å; Q955-L957 VanDerWaalsContact C-N 3.28Å; Q955-L957 PolarHBondContact O-N 2.74Å; Q955-R958 PolarHBondContact O-N 3.45Å |
| 956 | S | 49.7 | Very low | 47.2 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.7 | -20.4 | 176.8 | 69.6 | 0 | 0 | 0 | 0 | 114.6 | S952 R953 | S952-S956 PolarHBondContact O-N 3.4Å; S952-S956 VanDerWaalsContact O-N 3.1Å; R953-S956 PolarHBondContact O-N 2.98Å; R953-S956 PolarHBondContact O-OG 2.88Å |
| 957 | L | 39.8 | Very low | 44.7 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1.2 | -179.7 | -75.4 | 168.3 | 0 | 0 | 0 | 114.3 | Q955 | Q955-L957 VanDerWaalsContact C-N 3.28Å; Q955-L957 PolarHBondContact O-N 2.74Å |
| 958 | R | 37.1 | Very low | 42.3 | Very low | 218 Ų | 218 | 129.7 Ų | 129.7 | 82% | 0.823 | 67% | 0.672 | S | S | * | * | trans | -108 | 12.4 | -168.3 | -142.6 | 174.1 | -178.2 | 178 | -0.3 | 115.9 | Q955 K960 | Q955-R958 PolarHBondContact O-N 3.45Å; R958-K960 PolarHBondContact O-N 3.47Å | ||
| 959 | T | 32.6 | Very low | 40 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | trans | -89.4 | 64 | 174.5 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 960 | K | 26.9 | Very low | 37.9 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -173.2 | 141.7 | 159.6 | -99.3 | 149.1 | -170.8 | -174 | 0 | 108.7 | R958 | R958-K960 PolarHBondContact O-N 3.47Š| ||
| 961 | T | 25.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | trans | 84.3 | 101.8 | -177.6 | 81.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 962 | S | 23.2 | Very low | 34 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | 74 | 93.7 | 82.5 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 963 | A | 21.9 | Very low | 32.1 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | 82.4 | 128.6 | 92 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 964 | R | 23.1 | Very low | 30.5 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 97 | 136 | 155.2 | -60.7 | -177.4 | 171.3 | -174.7 | -3.5 | 120.2 | ||||
| 965 | H | 26.4 | Very low | 29.2 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | 74.3 | 142.8 | 155.6 | -70.4 | -48.3 | 0 | 0 | 0 | 117.2 | ||||
| 966 | N | 26.6 | Very low | 27.9 | Very low | 111 Ų | 111 | 142 Ų | 142 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | cis | -172.4 | 161.3 | -7.3 | -126.9 | 29.8 | 0 | 0 | 0 | 106.3 | ||||
| 967 | D | 26.1 | Very low | 26.8 | Very low | 122 Ų | 122 | 143 Ų | 143 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | 61.5 | 146.7 | 148.3 | -53.2 | -15.7 | 0 | 0 | 0 | 118.9 | ||||
| 968 | D | 26.8 | Very low | 26.1 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | cis | -166.8 | 142.3 | -17.8 | -112.8 | -25.1 | 0 | 0 | 0 | 106.5 | ||||
| 969 | T | 28.2 | Very low | 25.8 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 34.1 | 117 | 143.2 | 67.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 970 | N | 28 | Very low | 25.7 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | -158.3 | 107.4 | 126.8 | -143.4 | 4 | 0 | 0 | 0 | 113.9 | |||||
| 971 | K | 24.6 | Very low | 25.8 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 70% | 0.7 | 75% | 0.749 | S | S | * | * | trans | 46 | 117.1 | 133.5 | -73.9 | -174.7 | 160.7 | -179.1 | 0 | 123.6 | ||||
| 972 | H | 24.6 | Very low | 26.4 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | 93.9 | 136.2 | 116.9 | -67.6 | -43.6 | 0 | 0 | 0 | 122.7 | |||||
| 973 | S | 24.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | 74.9 | 106 | 170.4 | -74.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 974 | S | 24.2 | Very low | 28.6 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | cis | 81.7 | 133 | 37.6 | -168.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 975 | A | 24.1 | Very low | 30.1 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | 79.8 | 109.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 976 | Y | 22.3 | Very low | 31.7 | Very low | 225 Ų | 225 | 131.1 Ų | 131.1 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | cis | 76.9 | 127.8 | 39.8 | -147.1 | -93.3 | 0 | 0 | 0 | 114.5 | ||||
| 977 | S | 26.1 | Very low | 33.3 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 75.8 | 149.4 | 168.3 | 76.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 978 | S | 25.8 | Very low | 35.3 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | cis | 172.7 | 153 | -12.7 | -172.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 979 | I | 30.2 | Very low | 37.4 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | trans | 81.5 | 112.7 | 155.8 | -62.2 | 142.9 | 0 | 0 | 0 | 119.9 | ||||
| 980 | D | 30.1 | Very low | 39.6 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | 47.7 | 123.8 | 131.5 | -54.3 | -19.4 | 0 | 0 | 0 | 124.2 | ||||
| 981 | D | 30.1 | Very low | 41.9 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | trans | 40 | 103.5 | 138.9 | -72.9 | -15 | 0 | 0 | 0 | 120.4 | ||||
| 982 | N | 37.4 | Very low | 44.6 | Very low | 155 Ų | 155 | 120.5 Ų | 120.5 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | trans | -163.2 | 101.7 | 134.5 | -94.5 | -41.2 | 0 | 0 | 0 | 111.1 | S984 P985 | N982-S984 VanDerWaalsContact C-N 3.27Å; N982-S984 PolarHBondContact O-N 3.25Å; N982-P985 VanDerWaalsContact O-CD 3.22Å; N982-P985 WeakPolarHBondContact O-CD 3.38Å | ||
| 983 | T | 44.9 | Very low | 47.4 | Very low | 143 Ų | 143 | 117.9 Ų | 117.9 | 88% | 0.877 | 66% | 0.662 | S | S | * | * | trans | -80.4 | 24.8 | -175.3 | 19.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 984 | S | 47.6 | Very low | 50.2 | Low | 85 Ų | 85 | 117.3 Ų | 117.3 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | trans | -137.4 | 47.7 | 179.6 | -170.4 | 0 | 0 | 0 | 0 | 115.9 | N982 | N982-S984 VanDerWaalsContact C-N 3.27Å; N982-S984 PolarHBondContact O-N 3.25Å | ||
| 985 | P | 53.3 | Low | 53 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 44% | 0.442 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -115.9 | -27.3 | 151.2 | 32.6 | -26.8 | 0 | 0 | 0 | 112.7 | N982 L987 V988 D989 | N982-P985 VanDerWaalsContact O-CD 3.22Å; N982-P985 WeakPolarHBondContact O-CD 3.38Å; P985-L987 PolarHBondContact O-N 3.42Å; P985-V988 CarbonylContact O-C 3.52Å; P985-V988 WeakPolarHBondContact O-CA 3.26Å; P985-V988 WeakPolarHBondContact O-CB 3.42Å; P985-V988 PolarHBondContact O-N 2.97Å; P985-V988 VanDerWaalsContact O-N 3.13Å; P985-D989 WeakPolarHBondContact O-CB 3.47Å; P985-D989 PolarHBondContact O-N 3.5Å |
| 986 | K | 60.5 | Low | 55.8 | Low | 180 Ų | 180 | 114.4 Ų | 114.4 | 78% | 0.783 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.4 | -36.1 | -178.7 | -70.8 | -175.9 | 178.6 | 177.6 | 0 | 113.7 | V988 D989 N990 | K986-V988 VanDerWaalsContact C-N 3.34Å; K986-D989 PolarHBondContact O-N 2.93Å; K986-N990 WeakPolarHBondContact O-CB 3.22Å; K986-N990 PolarHBondContact O-N 3.48Å |
| 987 | L | 61.1 | Low | 58.8 | Low | 115 Ų | 115 | 109 Ų | 109 | 60% | 0.602 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.4 | -38.3 | 171.9 | -171.6 | 71.5 | 0 | 0 | 0 | 110.6 | P985 D989 N990 L991 | P985-L987 PolarHBondContact O-N 3.42Å; L987-D989 VanDerWaalsContact C-N 3.33Å; L987-N990 PolarHBondContact O-N 2.91Å; L987-L991 HydrophobicContact CG-CD1 4.16Å; L987-L991 WeakPolarHBondContact O-CB 3.44Å; L987-L991 VanDerWaalsContact O-CG 3.27Å; L987-L991 WeakPolarHBondContact O-CG 3.28Å; L987-L991 PolarHBondContact O-N 2.96Å |
| 988 | V | 67.2 | Low | 61.6 | Low | 58 Ų | 58 | 108.5 Ų | 108.5 | 35% | 0.352 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | P985 K986 K992 | P985-V988 CarbonylContact O-C 3.52Å; P985-V988 WeakPolarHBondContact O-CA 3.26Å; P985-V988 WeakPolarHBondContact O-CB 3.42Å; P985-V988 PolarHBondContact O-N 2.97Å; P985-V988 VanDerWaalsContact O-N 3.13Å; K986-V988 VanDerWaalsContact C-N 3.34Å; V988-K992 HydrophobicContact CG1-CD 4.26Å; V988-K992 HydrophobicContact CG1-CG 4.49Å; V988-K992 VanDerWaalsContact O-CB 3.28Å; V988-K992 WeakPolarHBondContact O-CB 3.47Å; V988-K992 WeakPolarHBondContact O-CG 3.45Å; V988-K992 PolarHBondContact O-N 2.99Å |
| 989 | D | 72 | Confident | 64.5 | Low | 86 Ų | 86 | 109.6 Ų | 109.6 | 46% | 0.46 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.5 | -36.2 | 177.9 | -66.9 | -27.1 | 0 | 0 | 0 | 111.6 | P985 K986 L987 K992 L993 | P985-D989 WeakPolarHBondContact O-CB 3.47Å; P985-D989 PolarHBondContact O-N 3.5Å; K986-D989 PolarHBondContact O-N 2.93Å; L987-D989 VanDerWaalsContact C-N 3.33Å; D989-K992 PolarHBondContact O-N 3.31Å; D989-L993 WeakPolarHBondContact O-CB 3.36Å; D989-L993 PolarHBondContact O-N 2.9Å |
| 990 | N | 74.3 | Confident | 67.2 | Low | 101 Ų | 101 | 107.6 Ų | 107.6 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.2 | -42.4 | 175 | -152.5 | 8.8 | 0 | 0 | 0 | 111.5 | K986 L987 K992 L993 E994 | K986-N990 WeakPolarHBondContact O-CB 3.22Å; K986-N990 PolarHBondContact O-N 3.48Å; L987-N990 PolarHBondContact O-N 2.91Å; N990-K992 VanDerWaalsContact C-N 3.34Å; N990-K992 PolarHBondContact O-N 3.43Å; N990-L993 WeakPolarHBondContact O-CB 3.09Å; N990-L993 PolarHBondContact O-N 2.92Å; N990-E994 WeakPolarHBondContact O-CB 3.41Å; N990-E994 PolarHBondContact O-N 3.43Å |
| 991 | L | 75.6 | Confident | 70.1 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -37.1 | 171.8 | -72.5 | 172.4 | 0 | 0 | 0 | 111.5 | L987 L993 E994 I995 | L987-L991 HydrophobicContact CG-CD1 4.16Å; L987-L991 WeakPolarHBondContact O-CB 3.44Å; L987-L991 VanDerWaalsContact O-CG 3.27Å; L987-L991 WeakPolarHBondContact O-CG 3.28Å; L987-L991 PolarHBondContact O-N 2.96Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 PolarHBondContact O-N 3.12Å; L991-E994 PolarHBondContact O-N 3.33Å; L991-I995 VanDerWaalsContact O-CB 3.23Å; L991-I995 WeakPolarHBondContact O-CB 3.49Å; L991-I995 WeakPolarHBondContact O-CD1 3.46Å; L991-I995 WeakPolarHBondContact O-CG1 3.41Å; L991-I995 PolarHBondContact O-N 3.45Å |
| 992 | K | 81.6 | Confident | 72.8 | Confident | 127 Ų | 127 | 103.3 Ų | 103.3 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 172.4 | -82.6 | 173.2 | -179.1 | 173.1 | 0 | 111.6 | V988 D989 N990 S996 | V988-K992 HydrophobicContact CG1-CD 4.26Å; V988-K992 HydrophobicContact CG1-CG 4.49Å; V988-K992 VanDerWaalsContact O-CB 3.28Å; V988-K992 WeakPolarHBondContact O-CB 3.47Å; V988-K992 WeakPolarHBondContact O-CG 3.45Å; V988-K992 PolarHBondContact O-N 2.99Å; D989-K992 PolarHBondContact O-N 3.31Å; N990-K992 VanDerWaalsContact C-N 3.34Å; N990-K992 PolarHBondContact O-N 3.43Å; K992-S996 VanDerWaalsContact O-CB 3.26Å; K992-S996 WeakPolarHBondContact O-CB 3.35Å; K992-S996 PolarHBondContact O-N 3.36Å |
| 993 | L | 82.9 | Confident | 75.2 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.8 | -168.2 | 73.2 | 0 | 0 | 0 | 111 | D989 N990 L991 S996 Q997 | D989-L993 WeakPolarHBondContact O-CB 3.36Å; D989-L993 PolarHBondContact O-N 2.9Å; N990-L993 WeakPolarHBondContact O-CB 3.09Å; N990-L993 PolarHBondContact O-N 2.92Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 PolarHBondContact O-N 3.12Å; L993-S996 WeakPolarHBondContact O-CB 3.36Å; L993-S996 PolarHBondContact O-N 2.92Å; L993-Q997 WeakPolarHBondContact O-CG 3.24Å; L993-Q997 PolarHBondContact O-N 2.91Å |
| 994 | E | 82.7 | Confident | 77.3 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 178.1 | -163 | 172.7 | -152.7 | 0 | 0 | 111.7 | N990 L991 S996 Q997 L998 | N990-E994 WeakPolarHBondContact O-CB 3.41Å; N990-E994 PolarHBondContact O-N 3.43Å; L991-E994 PolarHBondContact O-N 3.33Å; E994-S996 VanDerWaalsContact C-N 3.3Å; E994-S996 PolarHBondContact O-N 3.04Å; E994-Q997 PolarHBondContact O-N 3.4Å; E994-L998 WeakPolarHBondContact O-CG 3.33Å; E994-L998 PolarHBondContact O-N 2.81Å |
| 995 | I | 82.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 46% | 0.456 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 171.3 | -71.7 | 164.5 | 0 | 0 | 0 | 110.4 | L991 L998 Q999 | L991-I995 VanDerWaalsContact O-CB 3.23Å; L991-I995 WeakPolarHBondContact O-CB 3.49Å; L991-I995 WeakPolarHBondContact O-CD1 3.46Å; L991-I995 WeakPolarHBondContact O-CG1 3.41Å; L991-I995 PolarHBondContact O-N 3.45Å; I995-L998 PolarHBondContact O-N 3.38Å; I995-Q999 HydrophobicContact CG2-CG 4.34Å; I995-Q999 WeakPolarHBondContact O-CB 3.44Å; I995-Q999 VanDerWaalsContact O-CG 3.23Å; I995-Q999 WeakPolarHBondContact O-CG 3.49Å; I995-Q999 PolarHBondContact O-N 2.95Å |
| 996 | S | 83.3 | Confident | 80.8 | Confident | 58 Ų | 58 | 102.4 Ų | 102.4 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 178.8 | -161.6 | 0 | 0 | 0 | 0 | 112.2 | K992 L993 E994 Q999 N1000 | K992-S996 VanDerWaalsContact O-CB 3.26Å; K992-S996 WeakPolarHBondContact O-CB 3.35Å; K992-S996 PolarHBondContact O-N 3.36Å; L993-S996 WeakPolarHBondContact O-CB 3.36Å; L993-S996 PolarHBondContact O-N 2.92Å; E994-S996 VanDerWaalsContact C-N 3.3Å; E994-S996 PolarHBondContact O-N 3.04Å; S996-Q999 PolarHBondContact O-N 3.22Å; S996-N1000 PolarHBondContact O-N 3.48Å |
| 997 | Q | 85.9 | Confident | 82.1 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 172.1 | -72.5 | 175.8 | 5.7 | 0 | 0 | 111.9 | L993 E994 Q999 N1000 I1001 | L993-Q997 WeakPolarHBondContact O-CG 3.24Å; L993-Q997 PolarHBondContact O-N 2.91Å; E994-Q997 PolarHBondContact O-N 3.4Å; Q997-Q999 VanDerWaalsContact C-N 3.31Å; Q997-Q999 PolarHBondContact O-N 3.18Å; Q997-N1000 WeakPolarHBondContact O-CB 3.39Å; Q997-N1000 PolarHBondContact O-N 2.9Å; Q997-N1000 VanDerWaalsContact O-N 3.16Å; Q997-I1001 WeakPolarHBondContact O-CG1 3.5Å; Q997-I1001 PolarHBondContact O-N 3.3Å |
| 998 | L | 84.3 | Confident | 83.2 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 175.7 | -71.7 | 173.2 | 0 | 0 | 0 | 111.8 | E994 I995 N1000 I1001 I1002 | E994-L998 WeakPolarHBondContact O-CG 3.33Å; E994-L998 PolarHBondContact O-N 2.81Å; I995-L998 PolarHBondContact O-N 3.38Å; L998-N1000 VanDerWaalsContact C-N 3.33Å; L998-N1000 PolarHBondContact O-N 2.91Å; L998-I1001 PolarHBondContact O-N 3.35Å; L998-I1002 WeakPolarHBondContact O-CB 3.42Å; L998-I1002 VanDerWaalsContact O-CG1 3.24Å; L998-I1002 WeakPolarHBondContact O-CG1 3.25Å; L998-I1002 PolarHBondContact O-N 3.32Å |
| 999 | Q | 87.5 | Confident | 84 | Confident | 118 Ų | 118 | 95.5 Ų | 95.5 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 173.5 | -78.3 | 174.3 | -16.6 | 0 | 0 | 112 | I995 S996 Q997 K1003 | I995-Q999 HydrophobicContact CG2-CG 4.34Å; I995-Q999 WeakPolarHBondContact O-CB 3.44Å; I995-Q999 VanDerWaalsContact O-CG 3.23Å; I995-Q999 WeakPolarHBondContact O-CG 3.49Å; I995-Q999 PolarHBondContact O-N 2.95Å; S996-Q999 PolarHBondContact O-N 3.22Å; Q997-Q999 VanDerWaalsContact C-N 3.31Å; Q997-Q999 PolarHBondContact O-N 3.18Å; Q999-K1003 VanDerWaalsContact O-CB 3.3Å; Q999-K1003 WeakPolarHBondContact O-CB 3.42Å; Q999-K1003 PolarHBondContact O-N 2.95Å |
| 1000 | N | 87 | Confident | 84.6 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 173.9 | -85.1 | -22.4 | 0 | 0 | 0 | 112.4 | S996 Q997 L998 I1002 K1003 D1004 | S996-N1000 PolarHBondContact O-N 3.48Å; Q997-N1000 WeakPolarHBondContact O-CB 3.39Å; Q997-N1000 PolarHBondContact O-N 2.9Å; Q997-N1000 VanDerWaalsContact O-N 3.16Å; L998-N1000 VanDerWaalsContact C-N 3.33Å; L998-N1000 PolarHBondContact O-N 2.91Å; N1000-I1002 VanDerWaalsContact C-N 3.34Å; N1000-I1002 PolarHBondContact O-N 3.23Å; N1000-K1003 WeakPolarHBondContact O-CB 3.22Å; N1000-K1003 PolarHBondContact O-N 3.22Å; N1000-D1004 PolarHBondContact O-N 3.49Å |
| 1001 | I | 89.9 | Confident | 85.4 | Confident | 91 Ų | 91 | 96.8 Ų | 96.8 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.8 | -66.9 | 166.9 | 0 | 0 | 0 | 110.7 | Q997 L998 K1003 D1004 Q1005 | Q997-I1001 WeakPolarHBondContact O-CG1 3.5Å; Q997-I1001 PolarHBondContact O-N 3.3Å; L998-I1001 PolarHBondContact O-N 3.35Å; I1001-K1003 VanDerWaalsContact C-N 3.31Å; I1001-K1003 PolarHBondContact O-N 3.35Å; I1001-D1004 PolarHBondContact O-N 2.85Å; I1001-Q1005 HydrophobicContact CG2-CG 4.47Å; I1001-Q1005 WeakPolarHBondContact O-CB 3.42Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.42Å; I1001-Q1005 PolarHBondContact O-N 2.86Å |
| 1002 | I | 86.5 | Confident | 85.9 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176.4 | -69.8 | 167.4 | 0 | 0 | 0 | 110.4 | L998 N1000 Q1005 T1006 | L998-I1002 WeakPolarHBondContact O-CB 3.42Å; L998-I1002 VanDerWaalsContact O-CG1 3.24Å; L998-I1002 WeakPolarHBondContact O-CG1 3.25Å; L998-I1002 PolarHBondContact O-N 3.32Å; N1000-I1002 VanDerWaalsContact C-N 3.34Å; N1000-I1002 PolarHBondContact O-N 3.23Å; I1002-Q1005 PolarHBondContact O-N 3.32Å; I1002-T1006 WeakPolarHBondContact O-CB 3.48Å; I1002-T1006 PolarHBondContact O-N 3.05Å; I1002-T1006 PolarHBondContact O-OG1 3.06Å |
| 1003 | K | 89.2 | Confident | 86.3 | Confident | 147 Ų | 147 | 100.5 Ų | 100.5 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 176.5 | -172.3 | -179.6 | 179.2 | -176.3 | 0 | 111.9 | Q999 N1000 I1001 T1006 S1007 | Q999-K1003 VanDerWaalsContact O-CB 3.3Å; Q999-K1003 WeakPolarHBondContact O-CB 3.42Å; Q999-K1003 PolarHBondContact O-N 2.95Å; N1000-K1003 WeakPolarHBondContact O-CB 3.22Å; N1000-K1003 PolarHBondContact O-N 3.22Å; I1001-K1003 VanDerWaalsContact C-N 3.31Å; I1001-K1003 PolarHBondContact O-N 3.35Å; K1003-T1006 PolarHBondContact O-N 3.41Å; K1003-S1007 PolarHBondContact O-N 3.49Å |
| 1004 | D | 87.3 | Confident | 86.3 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 174.1 | -87.3 | 3.6 | 0 | 0 | 0 | 110.9 | N1000 I1001 T1006 S1007 T1008 | N1000-D1004 PolarHBondContact O-N 3.49Å; I1001-D1004 PolarHBondContact O-N 2.85Å; D1004-T1006 VanDerWaalsContact C-N 3.29Å; D1004-T1006 PolarHBondContact O-N 2.93Å; D1004-S1007 PolarHBondContact O-N 3.42Å; D1004-S1007 VanDerWaalsContact O-N 3.13Å; D1004-S1007 PolarHBondContact O-OG 3.46Å; D1004-T1008 PolarHBondContact O-N 2.84Å; D1004-T1008 PolarHBondContact O-OG1 2.79Å |
| 1005 | Q | 85.5 | Confident | 86.5 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 175 | -75.6 | -179.1 | -22.5 | 0 | 0 | 111.8 | I1001 I1002 S1007 T1008 I1009 | I1001-Q1005 HydrophobicContact CG2-CG 4.47Å; I1001-Q1005 WeakPolarHBondContact O-CB 3.42Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.42Å; I1001-Q1005 PolarHBondContact O-N 2.86Å; I1002-Q1005 PolarHBondContact O-N 3.32Å; Q1005-S1007 VanDerWaalsContact C-N 3.34Å; Q1005-S1007 PolarHBondContact O-N 3.29Å; Q1005-T1008 WeakPolarHBondContact CA-OG1 3.37Å; Q1005-T1008 PolarHBondContact O-N 2.82Å; Q1005-T1008 PolarHBondContact O-OG1 2.74Å; Q1005-I1009 WeakPolarHBondContact O-CB 3.35Å; Q1005-I1009 WeakPolarHBondContact O-CD1 3.44Å; Q1005-I1009 WeakPolarHBondContact O-CG1 3.44Å; Q1005-I1009 PolarHBondContact O-N 3.36Å |
| 1006 | T | 89.1 | Confident | 86.6 | Confident | 66 Ų | 66 | 99.5 Ų | 99.5 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.5 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | I1002 K1003 D1004 T1008 I1009 E1010 | I1002-T1006 WeakPolarHBondContact O-CB 3.48Å; I1002-T1006 PolarHBondContact O-N 3.05Å; I1002-T1006 PolarHBondContact O-OG1 3.06Å; K1003-T1006 PolarHBondContact O-N 3.41Å; D1004-T1006 VanDerWaalsContact C-N 3.29Å; D1004-T1006 PolarHBondContact O-N 2.93Å; T1006-T1008 PolarHBondContact O-N 3.36Å; T1006-I1009 PolarHBondContact O-N 2.84Å; T1006-E1010 WeakPolarHBondContact O-CG 3.41Å; T1006-E1010 PolarHBondContact O-N 3.37Å |
| 1007 | S | 87.5 | Confident | 86.6 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.2 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | K1003 D1004 Q1005 I1009 E1010 V1011 | K1003-S1007 PolarHBondContact O-N 3.49Å; D1004-S1007 PolarHBondContact O-N 3.42Å; D1004-S1007 VanDerWaalsContact O-N 3.13Å; D1004-S1007 PolarHBondContact O-OG 3.46Å; Q1005-S1007 VanDerWaalsContact C-N 3.34Å; Q1005-S1007 PolarHBondContact O-N 3.29Å; S1007-I1009 VanDerWaalsContact C-N 3.34Å; S1007-I1009 PolarHBondContact O-N 2.97Å; S1007-E1010 PolarHBondContact O-N 3.29Å; S1007-V1011 WeakPolarHBondContact O-CG2 3.27Å; S1007-V1011 PolarHBondContact O-N 2.88Å |
| 1008 | T | 86.1 | Confident | 86.3 | Confident | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 175 | 57.6 | 0 | 0 | 0 | 0 | 112 | D1004 Q1005 T1006 V1011 L1012 | D1004-T1008 PolarHBondContact O-N 2.84Å; D1004-T1008 PolarHBondContact O-OG1 2.79Å; Q1005-T1008 WeakPolarHBondContact CA-OG1 3.37Å; Q1005-T1008 PolarHBondContact O-N 2.82Å; Q1005-T1008 PolarHBondContact O-OG1 2.74Å; T1006-T1008 PolarHBondContact O-N 3.36Å; T1008-V1011 PolarHBondContact O-N 2.98Å; T1008-L1012 WeakPolarHBondContact O-CB 3.32Å; T1008-L1012 VanDerWaalsContact O-CG 3.23Å; T1008-L1012 WeakPolarHBondContact O-CG 3.27Å; T1008-L1012 PolarHBondContact O-N 3.12Å |
| 1009 | I | 83.1 | Confident | 86 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 174.9 | -69.5 | 163.9 | 0 | 0 | 0 | 110.1 | Q1005 T1006 S1007 L1012 R1013 | Q1005-I1009 WeakPolarHBondContact O-CB 3.35Å; Q1005-I1009 WeakPolarHBondContact O-CD1 3.44Å; Q1005-I1009 WeakPolarHBondContact O-CG1 3.44Å; Q1005-I1009 PolarHBondContact O-N 3.36Å; T1006-I1009 PolarHBondContact O-N 2.84Å; S1007-I1009 VanDerWaalsContact C-N 3.34Å; S1007-I1009 PolarHBondContact O-N 2.97Å; I1009-L1012 PolarHBondContact O-N 2.92Å; I1009-R1013 HydrophobicContact CG2-CG 4.29Å; I1009-R1013 VanDerWaalsContact O-CB 3.27Å; I1009-R1013 WeakPolarHBondContact O-CB 3.44Å; I1009-R1013 WeakPolarHBondContact O-CG 3.41Å; I1009-R1013 PolarHBondContact O-N 3.09Å |
| 1010 | E | 85.3 | Confident | 85.5 | Confident | 127 Ų | 127 | 98.2 Ų | 98.2 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 174.8 | -77.3 | 179.6 | 173.1 | 0 | 0 | 112 | T1006 S1007 R1013 S1014 | T1006-E1010 WeakPolarHBondContact O-CG 3.41Å; T1006-E1010 PolarHBondContact O-N 3.37Å; S1007-E1010 PolarHBondContact O-N 3.29Å; E1010-R1013 PolarHBondContact O-N 2.93Å; E1010-S1014 WeakPolarHBondContact O-CB 3.46Å; E1010-S1014 PolarHBondContact O-N 3.37Å |
| 1011 | V | 89.9 | Confident | 85 | Confident | 86 Ų | 86 | 95.8 Ų | 95.8 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 173.1 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | S1007 T1008 R1013 S1014 D1015 | S1007-V1011 WeakPolarHBondContact O-CG2 3.27Å; S1007-V1011 PolarHBondContact O-N 2.88Å; T1008-V1011 PolarHBondContact O-N 2.98Å; V1011-R1013 VanDerWaalsContact C-N 3.27Å; V1011-R1013 PolarHBondContact O-N 3.26Å; V1011-S1014 CarbonylContact O-C 3.52Å; V1011-S1014 WeakPolarHBondContact O-CB 3.33Å; V1011-S1014 PolarHBondContact O-N 2.91Å; V1011-S1014 VanDerWaalsContact O-N 3.14Å; V1011-D1015 WeakPolarHBondContact O-CB 3.5Å; V1011-D1015 PolarHBondContact O-N 3.43Å |
| 1012 | L | 87.1 | Confident | 84.1 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -33.8 | 177.9 | -73 | 174.1 | 0 | 0 | 0 | 112.4 | T1008 I1009 L1016 | T1008-L1012 WeakPolarHBondContact O-CB 3.32Å; T1008-L1012 VanDerWaalsContact O-CG 3.23Å; T1008-L1012 WeakPolarHBondContact O-CG 3.27Å; T1008-L1012 PolarHBondContact O-N 3.12Å; I1009-L1012 PolarHBondContact O-N 2.92Å; L1012-L1016 VanDerWaalsContact O-CB 3.25Å; L1012-L1016 WeakPolarHBondContact O-CB 3.23Å; L1012-L1016 PolarHBondContact O-N 3.44Å |
| 1013 | R | 89.7 | Confident | 83 | Confident | 177 Ų | 177 | 98.2 Ų | 98.2 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.8 | -40.7 | 173.7 | -78.5 | 175.1 | 178.7 | -159.4 | 0.5 | 111.5 | I1009 E1010 V1011 D1015 L1016 E1017 | I1009-R1013 HydrophobicContact CG2-CG 4.29Å; I1009-R1013 VanDerWaalsContact O-CB 3.27Å; I1009-R1013 WeakPolarHBondContact O-CB 3.44Å; I1009-R1013 WeakPolarHBondContact O-CG 3.41Å; I1009-R1013 PolarHBondContact O-N 3.09Å; E1010-R1013 PolarHBondContact O-N 2.93Å; V1011-R1013 VanDerWaalsContact C-N 3.27Å; V1011-R1013 PolarHBondContact O-N 3.26Å; R1013-D1015 VanDerWaalsContact C-N 3.34Å; R1013-L1016 PolarHBondContact O-N 2.88Å; R1013-E1017 WeakPolarHBondContact O-CB 3.41Å; R1013-E1017 PolarHBondContact O-N 3.04Å |
| 1014 | S | 83 | Confident | 82.3 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 173.5 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | E1010 V1011 G1018 | E1010-S1014 WeakPolarHBondContact O-CB 3.46Å; E1010-S1014 PolarHBondContact O-N 3.37Å; V1011-S1014 CarbonylContact O-C 3.52Å; V1011-S1014 WeakPolarHBondContact O-CB 3.33Å; V1011-S1014 PolarHBondContact O-N 2.91Å; V1011-S1014 VanDerWaalsContact O-N 3.14Å; S1014-G1018 PolarHBondContact O-N 3.37Å |
| 1015 | D | 85.5 | Confident | 81.4 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 174 | -72.2 | -15.8 | 0 | 0 | 0 | 110.5 | V1011 R1013 G1018 T1019 | V1011-D1015 WeakPolarHBondContact O-CB 3.5Å; V1011-D1015 PolarHBondContact O-N 3.43Å; R1013-D1015 VanDerWaalsContact C-N 3.34Å; D1015-G1018 PolarHBondContact O-N 2.96Å; D1015-T1019 WeakPolarHBondContact O-CB 3.37Å; D1015-T1019 VanDerWaalsContact O-CG2 3.26Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.49Å; D1015-T1019 PolarHBondContact O-N 3.31Å; D1015-T1019 PolarHBondContact O-OG1 2.97Å |
| 1016 | L | 85.6 | Confident | 80.3 | Confident | 109 Ų | 109 | 93.9 Ų | 93.9 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 175.8 | -152.8 | 116.2 | 0 | 0 | 0 | 110.6 | L1012 R1013 G1018 T1019 Q1020 | L1012-L1016 VanDerWaalsContact O-CB 3.25Å; L1012-L1016 WeakPolarHBondContact O-CB 3.23Å; L1012-L1016 PolarHBondContact O-N 3.44Å; R1013-L1016 PolarHBondContact O-N 2.88Å; L1016-G1018 VanDerWaalsContact C-N 3.33Å; L1016-G1018 PolarHBondContact O-N 2.82Å; L1016-T1019 WeakPolarHBondContact CA-OG1 3.43Å; L1016-T1019 PolarHBondContact O-N 2.88Å; L1016-T1019 PolarHBondContact O-OG1 3.48Å; L1016-Q1020 WeakPolarHBondContact O-CB 3.31Å; L1016-Q1020 PolarHBondContact O-N 3.28Å |
| 1017 | E | 83.7 | Confident | 79.2 | Confident | 139 Ų | 139 | 97.3 Ų | 97.3 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -39.2 | 172 | -81.5 | -176.2 | 162.8 | 0 | 0 | 111.9 | R1013 Q1020 A1021 | R1013-E1017 WeakPolarHBondContact O-CB 3.41Å; R1013-E1017 PolarHBondContact O-N 3.04Å; E1017-Q1020 PolarHBondContact O-N 3.39Å; E1017-A1021 VanDerWaalsContact O-CB 3.28Å; E1017-A1021 WeakPolarHBondContact O-CB 3.46Å; E1017-A1021 PolarHBondContact O-N 3.39Å |
| 1018 | G | 80.4 | Confident | 78 | Confident | 32 Ų | 32 | 97.5 Ų | 97.5 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1014 D1015 L1016 Q1020 A1021 Q1022 | S1014-G1018 PolarHBondContact O-N 3.37Å; D1015-G1018 PolarHBondContact O-N 2.96Å; L1016-G1018 VanDerWaalsContact C-N 3.33Å; L1016-G1018 PolarHBondContact O-N 2.82Å; G1018-Q1020 VanDerWaalsContact C-N 3.3Å; G1018-Q1020 PolarHBondContact O-N 3.33Å; G1018-A1021 PolarHBondContact O-N 2.9Å; G1018-Q1022 WeakPolarHBondContact O-CG 3.14Å; G1018-Q1022 PolarHBondContact O-N 3.32Å |
| 1019 | T | 77.9 | Confident | 77.1 | Confident | 69 Ų | 69 | 101.1 Ų | 101.1 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -33.1 | 174.4 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | D1015 L1016 Q1022 L1023 | D1015-T1019 WeakPolarHBondContact O-CB 3.37Å; D1015-T1019 VanDerWaalsContact O-CG2 3.26Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.49Å; D1015-T1019 PolarHBondContact O-N 3.31Å; D1015-T1019 PolarHBondContact O-OG1 2.97Å; L1016-T1019 WeakPolarHBondContact CA-OG1 3.43Å; L1016-T1019 PolarHBondContact O-N 2.88Å; L1016-T1019 PolarHBondContact O-OG1 3.48Å; T1019-Q1022 PolarHBondContact O-N 2.91Å; T1019-L1023 WeakPolarHBondContact O-CB 3.46Å; T1019-L1023 WeakPolarHBondContact O-CG 3.26Å; T1019-L1023 PolarHBondContact O-N 2.94Å |
| 1020 | Q | 75.9 | Confident | 76 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.5 | -34.2 | 176.9 | -164.9 | 165.9 | -5.5 | 0 | 0 | 111.6 | L1016 E1017 G1018 L1023 S1024 | L1016-Q1020 WeakPolarHBondContact O-CB 3.31Å; L1016-Q1020 PolarHBondContact O-N 3.28Å; E1017-Q1020 PolarHBondContact O-N 3.39Å; G1018-Q1020 VanDerWaalsContact C-N 3.3Å; G1018-Q1020 PolarHBondContact O-N 3.33Å; Q1020-L1023 PolarHBondContact O-N 2.97Å; Q1020-S1024 WeakPolarHBondContact O-CB 3.45Å; Q1020-S1024 PolarHBondContact O-N 2.88Å |
| 1021 | A | 76 | Confident | 75.2 | Confident | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1017 G1018 L1023 S1024 D1025 | E1017-A1021 VanDerWaalsContact O-CB 3.28Å; E1017-A1021 WeakPolarHBondContact O-CB 3.46Å; E1017-A1021 PolarHBondContact O-N 3.39Å; G1018-A1021 PolarHBondContact O-N 2.9Å; A1021-L1023 PolarHBondContact O-N 3.4Å; A1021-S1024 CarbonylContact O-C 3.58Å; A1021-S1024 WeakPolarHBondContact O-CA 3.45Å; A1021-S1024 WeakPolarHBondContact O-CB 3.49Å; A1021-S1024 PolarHBondContact O-N 3.02Å; A1021-D1025 PolarHBondContact O-N 3.17Å |
| 1022 | Q | 70.8 | Confident | 74.2 | Confident | 124 Ų | 124 | 101 Ų | 101 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 172.6 | -74.6 | 174.7 | -8 | 0 | 0 | 112.3 | G1018 T1019 S1024 D1025 L1026 | G1018-Q1022 WeakPolarHBondContact O-CG 3.14Å; G1018-Q1022 PolarHBondContact O-N 3.32Å; T1019-Q1022 PolarHBondContact O-N 2.91Å; Q1022-S1024 VanDerWaalsContact C-N 3.28Å; Q1022-S1024 PolarHBondContact O-N 2.96Å; Q1022-D1025 PolarHBondContact O-N 2.95Å; Q1022-L1026 VanDerWaalsContact O-CB 3.31Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.48Å; Q1022-L1026 VanDerWaalsContact O-CG 3.22Å; Q1022-L1026 WeakPolarHBondContact O-CG 3.32Å; Q1022-L1026 PolarHBondContact O-N 3.36Å |
| 1023 | L | 65.1 | Low | 73.7 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.4 | -31.6 | 172.5 | -75.1 | 170.9 | 0 | 0 | 0 | 112 | T1019 Q1020 A1021 K1027 | T1019-L1023 WeakPolarHBondContact O-CB 3.46Å; T1019-L1023 WeakPolarHBondContact O-CG 3.26Å; T1019-L1023 PolarHBondContact O-N 2.94Å; Q1020-L1023 PolarHBondContact O-N 2.97Å; A1021-L1023 PolarHBondContact O-N 3.4Å; L1023-K1027 WeakPolarHBondContact O-CB 3.46Å; L1023-K1027 PolarHBondContact O-N 3.24Å |
| 1024 | S | 74.7 | Confident | 72.8 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.4 | -38.4 | 174.4 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | Q1020 A1021 Q1022 K1027 G1028 | Q1020-S1024 WeakPolarHBondContact O-CB 3.45Å; Q1020-S1024 PolarHBondContact O-N 2.88Å; A1021-S1024 CarbonylContact O-C 3.58Å; A1021-S1024 WeakPolarHBondContact O-CA 3.45Å; A1021-S1024 WeakPolarHBondContact O-CB 3.49Å; A1021-S1024 PolarHBondContact O-N 3.02Å; Q1022-S1024 VanDerWaalsContact C-N 3.28Å; Q1022-S1024 PolarHBondContact O-N 2.96Å; S1024-K1027 CarbonylContact O-C 3.43Å; S1024-K1027 WeakPolarHBondContact O-CB 3.36Å; S1024-K1027 PolarHBondContact O-N 3.33Å; S1024-G1028 PolarHBondContact O-N 2.92Å |
| 1025 | D | 67.3 | Low | 72.4 | Confident | 104 Ų | 104 | 95.5 Ų | 95.5 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.7 | -43.9 | 173.5 | -72.9 | -16.2 | 0 | 0 | 0 | 110.1 | A1021 Q1022 K1027 G1028 E1029 | A1021-D1025 PolarHBondContact O-N 3.17Å; Q1022-D1025 PolarHBondContact O-N 2.95Å; D1025-K1027 PolarHBondContact O-N 2.91Å; D1025-G1028 CarbonylContact O-C 3.48Å; D1025-G1028 VanDerWaalsContact O-CA 3.28Å; D1025-G1028 WeakPolarHBondContact O-CA 3.33Å; D1025-G1028 PolarHBondContact O-N 3.32Å; D1025-E1029 WeakPolarHBondContact O-CG 3.1Å; D1025-E1029 PolarHBondContact O-N 3.21Å |
| 1026 | L | 63.6 | Low | 72 | Confident | 98 Ų | 98 | 96.5 Ų | 96.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -33 | 170.4 | -72.9 | 171.7 | 0 | 0 | 0 | 111.8 | Q1022 G1028 E1029 L1030 | Q1022-L1026 VanDerWaalsContact O-CB 3.31Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.48Å; Q1022-L1026 VanDerWaalsContact O-CG 3.22Å; Q1022-L1026 WeakPolarHBondContact O-CG 3.32Å; Q1022-L1026 PolarHBondContact O-N 3.36Å; L1026-G1028 VanDerWaalsContact C-N 3.33Å; L1026-E1029 PolarHBondContact O-N 3.3Å; L1026-L1030 WeakPolarHBondContact O-CB 3.46Å; L1026-L1030 PolarHBondContact O-N 2.75Å |
| 1027 | K | 64.5 | Low | 71.6 | Confident | 138 Ų | 138 | 97.7 Ų | 97.7 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.4 | -28 | 170.8 | -173.3 | 180 | -179.9 | -176.1 | 0 | 111.8 | L1023 S1024 D1025 K1035 | L1023-K1027 WeakPolarHBondContact O-CB 3.46Å; L1023-K1027 PolarHBondContact O-N 3.24Å; S1024-K1027 CarbonylContact O-C 3.43Å; S1024-K1027 WeakPolarHBondContact O-CB 3.36Å; S1024-K1027 PolarHBondContact O-N 3.33Å; D1025-K1027 PolarHBondContact O-N 2.91Å; K1027-K1035 WeakPolarHBondContact O-CE 3.5Å; K1027-K1035 PolarHBondContact O-NZ 3.45Å |
| 1028 | G | 63.8 | Low | 71.3 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 58% | 0.577 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.8 | -38.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1024 D1025 L1026 L1030 | S1024-G1028 PolarHBondContact O-N 2.92Å; D1025-G1028 CarbonylContact O-C 3.48Å; D1025-G1028 VanDerWaalsContact O-CA 3.28Å; D1025-G1028 WeakPolarHBondContact O-CA 3.33Å; D1025-G1028 PolarHBondContact O-N 3.32Å; L1026-G1028 VanDerWaalsContact C-N 3.33Å; G1028-L1030 VanDerWaalsContact C-N 3.34Å |
| 1029 | E | 66.7 | Low | 71.2 | Confident | 150 Ų | 150 | 100.4 Ų | 100.4 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -80.3 | -15.2 | 176.8 | -69.5 | -173.9 | 173 | 0 | 0 | 113 | D1025 L1026 T1031 | D1025-E1029 WeakPolarHBondContact O-CG 3.1Å; D1025-E1029 PolarHBondContact O-N 3.21Å; L1026-E1029 PolarHBondContact O-N 3.3Å; E1029-T1031 PolarHBondContact O-N 3.36Å |
| 1030 | L | 58.9 | Low | 71.3 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 26% | 0.257 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -60.8 | 109.6 | 171.3 | -143.4 | 79.8 | 0 | 0 | 0 | 107.8 | L1026 G1028 Q1034 K1035 I1038 | L1026-L1030 WeakPolarHBondContact O-CB 3.46Å; L1026-L1030 PolarHBondContact O-N 2.75Å; G1028-L1030 VanDerWaalsContact C-N 3.34Å; L1030-Q1034 HydrophobicContact CD1-CB 4.3Å; L1030-Q1034 VanDerWaalsContact CD1-OE1 3.23Å; L1030-Q1034 HydrophobicContact CD2-CB 3.81Å; L1030-Q1034 HydrophobicContact CG-CB 3.6Å; L1030-K1035 HydrophobicContact CB-CG 4.43Å; L1030-K1035 HydrophobicContact CD2-CG 3.98Å; L1030-I1038 HydrophobicContact CD2-CD1 3.92Å |
| 1031 | T | 69.4 | Low | 71.6 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | trans | -56.6 | 146.4 | -176.4 | -9.4 | 0 | 0 | 0 | 0 | 108.7 | E1029 S1033 Q1034 K1035 | E1029-T1031 PolarHBondContact O-N 3.36Å; T1031-S1033 PolarHBondContact O-N 3.23Å; T1031-Q1034 PolarHBondContact O-N 3.48Å; T1031-K1035 PolarHBondContact O-N 2.82Å | ||
| 1032 | E | 69.4 | Low | 71.9 | Confident | 151 Ų | 151 | 101.5 Ų | 101.5 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -44.5 | -38.8 | -179 | -161.7 | 71.8 | -163.2 | 0 | 0 | 112 | Q1034 K1035 E1036 | E1032-Q1034 PolarHBondContact O-N 3.37Å; E1032-K1035 PolarHBondContact O-N 3.36Å; E1032-E1036 WeakPolarHBondContact O-CB 3.45Å; E1032-E1036 PolarHBondContact O-N 2.76Å |
| 1033 | S | 76.8 | Confident | 72.5 | Confident | 81 Ų | 81 | 99.8 Ų | 99.8 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.1 | -38.4 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 115.2 | T1031 E1037 | T1031-S1033 PolarHBondContact O-N 3.23Å; S1033-E1037 WeakPolarHBondContact O-CB 3.33Å; S1033-E1037 PolarHBondContact O-N 3.47Å |
| 1034 | Q | 70.8 | Confident | 73.3 | Confident | 87 Ų | 87 | 102 Ų | 102 | 41% | 0.407 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -80.2 | -33.2 | -178.5 | -74.8 | -179.3 | -36.7 | 0 | 0 | 111.7 | L1030 T1031 E1032 E1037 I1038 | L1030-Q1034 HydrophobicContact CD1-CB 4.3Å; L1030-Q1034 VanDerWaalsContact CD1-OE1 3.23Å; L1030-Q1034 HydrophobicContact CD2-CB 3.81Å; L1030-Q1034 HydrophobicContact CG-CB 3.6Å; T1031-Q1034 PolarHBondContact O-N 3.48Å; E1032-Q1034 PolarHBondContact O-N 3.37Å; Q1034-E1037 PolarHBondContact O-N 2.9Å; Q1034-I1038 WeakPolarHBondContact O-CG1 3.31Å; Q1034-I1038 PolarHBondContact O-N 2.84Å; Q1034-I1038 VanDerWaalsContact O-N 3.12Å |
| 1035 | K | 74.1 | Confident | 73.7 | Confident | 75 Ų | 75 | 100.2 Ų | 100.2 | 33% | 0.326 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 170 | -80.2 | -179.4 | -179.4 | 148.4 | 0 | 111 | K1027 L1030 T1031 E1032 E1037 I1038 E1039 | K1027-K1035 WeakPolarHBondContact O-CE 3.5Å; K1027-K1035 PolarHBondContact O-NZ 3.45Å; L1030-K1035 HydrophobicContact CB-CG 4.43Å; L1030-K1035 HydrophobicContact CD2-CG 3.98Å; T1031-K1035 PolarHBondContact O-N 2.82Å; E1032-K1035 PolarHBondContact O-N 3.36Å; K1035-E1037 VanDerWaalsContact C-N 3.3Å; K1035-E1037 PolarHBondContact O-N 2.92Å; K1035-I1038 PolarHBondContact O-N 3.36Å; K1035-E1039 WeakPolarHBondContact O-CB 3.33Å; K1035-E1039 PolarHBondContact O-N 3.22Å |
| 1036 | E | 76.6 | Confident | 74.6 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 175.3 | -171.2 | 179.3 | -177.9 | 0 | 0 | 111.3 | E1032 E1039 N1040 | E1032-E1036 WeakPolarHBondContact O-CB 3.45Å; E1032-E1036 PolarHBondContact O-N 2.76Å; E1036-E1039 PolarHBondContact O-N 2.87Å; E1036-N1040 WeakPolarHBondContact O-CB 3.37Å; E1036-N1040 PolarHBondContact O-N 3.36Å; E1036-N1040 PolarHBondContact O-ND2 2.96Å; E1036-N1040 VanDerWaalsContact O-ND2 3.16Å |
| 1037 | E | 76.9 | Confident | 75.6 | Confident | 135 Ų | 135 | 102.5 Ų | 102.5 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 175.7 | -168 | 176.1 | -166.3 | 0 | 0 | 112.7 | S1033 Q1034 K1035 A1041 | S1033-E1037 WeakPolarHBondContact O-CB 3.33Å; S1033-E1037 PolarHBondContact O-N 3.47Å; Q1034-E1037 PolarHBondContact O-N 2.9Å; K1035-E1037 VanDerWaalsContact C-N 3.3Å; K1035-E1037 PolarHBondContact O-N 2.92Å; E1037-A1041 WeakPolarHBondContact O-CB 3.46Å; E1037-A1041 PolarHBondContact O-N 3.37Å |
| 1038 | I | 77.4 | Confident | 76.5 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 177 | -66.4 | 169.6 | 0 | 0 | 0 | 111 | L1030 Q1034 K1035 N1040 A1041 L1042 | L1030-I1038 HydrophobicContact CD2-CD1 3.92Å; Q1034-I1038 WeakPolarHBondContact O-CG1 3.31Å; Q1034-I1038 PolarHBondContact O-N 2.84Å; Q1034-I1038 VanDerWaalsContact O-N 3.12Å; K1035-I1038 PolarHBondContact O-N 3.36Å; I1038-N1040 VanDerWaalsContact C-N 3.34Å; I1038-A1041 PolarHBondContact O-N 2.92Å; I1038-L1042 WeakPolarHBondContact O-CB 3.33Å; I1038-L1042 PolarHBondContact O-N 2.95Å |
| 1039 | E | 79.4 | Confident | 77.6 | Confident | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 177.9 | -172.5 | 168.7 | -170.2 | 0 | 0 | 111.3 | K1035 E1036 L1042 N1043 | K1035-E1039 WeakPolarHBondContact O-CB 3.33Å; K1035-E1039 PolarHBondContact O-N 3.22Å; E1036-E1039 PolarHBondContact O-N 2.87Å; E1039-L1042 PolarHBondContact O-N 2.66Å; E1039-N1043 WeakPolarHBondContact O-CB 3.37Å; E1039-N1043 PolarHBondContact O-N 3.22Å |
| 1040 | N | 80.3 | Confident | 78.6 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.4 | -74.9 | -24.6 | 0 | 0 | 0 | 111.6 | E1036 I1038 N1043 Y1044 | E1036-N1040 WeakPolarHBondContact O-CB 3.37Å; E1036-N1040 PolarHBondContact O-N 3.36Å; E1036-N1040 PolarHBondContact O-ND2 2.96Å; E1036-N1040 VanDerWaalsContact O-ND2 3.16Å; I1038-N1040 VanDerWaalsContact C-N 3.34Å; N1040-N1043 PolarHBondContact O-N 2.88Å; N1040-Y1044 WeakPolarHBondContact O-CB 3.32Å; N1040-Y1044 PolarHBondContact O-N 3.45Å |
| 1041 | A | 80.8 | Confident | 79.8 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1037 I1038 Y1044 G1045 | E1037-A1041 WeakPolarHBondContact O-CB 3.46Å; E1037-A1041 PolarHBondContact O-N 3.37Å; I1038-A1041 PolarHBondContact O-N 2.92Å; A1041-Y1044 PolarHBondContact O-N 2.94Å; A1041-G1045 PolarHBondContact O-N 2.69Å |
| 1042 | L | 83.6 | Confident | 80.5 | Confident | 104 Ų | 104 | 101.1 Ų | 101.1 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -42 | 177.5 | -123.1 | 169.5 | 0 | 0 | 0 | 111.8 | I1038 E1039 Y1044 G1045 K1046 | I1038-L1042 WeakPolarHBondContact O-CB 3.33Å; I1038-L1042 PolarHBondContact O-N 2.95Å; E1039-L1042 PolarHBondContact O-N 2.66Å; L1042-Y1044 VanDerWaalsContact C-N 3.35Å; L1042-G1045 PolarHBondContact O-N 3.24Å; L1042-K1046 WeakPolarHBondContact O-CG 3.44Å; L1042-K1046 PolarHBondContact O-N 3.45Å |
| 1043 | N | 83.1 | Confident | 81.3 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 173.1 | -97.4 | -5.5 | 0 | 0 | 0 | 111.6 | E1039 N1040 G1045 K1046 K1047 | E1039-N1043 WeakPolarHBondContact O-CB 3.37Å; E1039-N1043 PolarHBondContact O-N 3.22Å; N1040-N1043 PolarHBondContact O-N 2.88Å; N1043-G1045 VanDerWaalsContact C-N 3.34Å; N1043-K1046 PolarHBondContact O-N 2.86Å; N1043-K1047 WeakPolarHBondContact O-CB 3.5Å; N1043-K1047 PolarHBondContact O-N 3.39Å |
| 1044 | Y | 82 | Confident | 81.8 | Confident | 165 Ų | 165 | 100.9 Ų | 100.9 | 65% | 0.647 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -42.4 | 172.6 | -171.3 | -95.4 | 0 | 0 | 0 | 111.3 | N1040 A1041 L1042 K1046 K1047 T1048 | N1040-Y1044 WeakPolarHBondContact O-CB 3.32Å; N1040-Y1044 PolarHBondContact O-N 3.45Å; A1041-Y1044 PolarHBondContact O-N 2.94Å; L1042-Y1044 VanDerWaalsContact C-N 3.35Å; Y1044-K1046 PolarHBondContact O-N 3.46Å; Y1044-K1047 PolarHBondContact O-N 3.32Å; Y1044-T1048 HydrophobicContact CD1-CG2 4Å; Y1044-T1048 HydrophobicContact CE1-CG2 3.67Å; Y1044-T1048 WeakPolarHBondContact O-CB 3.34Å; Y1044-T1048 VanDerWaalsContact O-CG2 3.28Å; Y1044-T1048 WeakPolarHBondContact O-CG2 3.42Å; Y1044-T1048 PolarHBondContact O-N 3.32Å; Y1044-T1048 PolarHBondContact O-OG1 3.47Å |
| 1045 | G | 82.9 | Confident | 82.5 | Confident | 35 Ų | 35 | 99.5 Ų | 99.5 | 36% | 0.361 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1041 L1042 N1043 T1048 N1049 | A1041-G1045 PolarHBondContact O-N 2.69Å; L1042-G1045 PolarHBondContact O-N 3.24Å; N1043-G1045 VanDerWaalsContact C-N 3.34Å; G1045-T1048 WeakPolarHBondContact CA-OG1 3.34Å; G1045-T1048 PolarHBondContact O-OG1 3.41Å; G1045-N1049 WeakPolarHBondContact O-CB 3.37Å; G1045-N1049 PolarHBondContact O-N 2.96Å; G1045-N1049 VanDerWaalsContact O-N 3.1Å |
| 1046 | K | 86.8 | Confident | 83.4 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 174.9 | -73.2 | 176.9 | -177.5 | 173.1 | 0 | 111.8 | L1042 N1043 Y1044 T1048 N1049 E1050 | L1042-K1046 WeakPolarHBondContact O-CG 3.44Å; L1042-K1046 PolarHBondContact O-N 3.45Å; N1043-K1046 PolarHBondContact O-N 2.86Å; Y1044-K1046 PolarHBondContact O-N 3.46Å; K1046-T1048 PolarHBondContact O-N 2.89Å; K1046-N1049 PolarHBondContact O-N 2.95Å; K1046-N1049 VanDerWaalsContact O-N 3.15Å; K1046-E1050 PolarHBondContact O-N 2.74Å |
| 1047 | K | 84.6 | Confident | 84 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -45.2 | 180 | -167.3 | 178.9 | 178.9 | -179.1 | 0 | 111.7 | N1043 Y1044 N1049 E1050 E1051 | N1043-K1047 WeakPolarHBondContact O-CB 3.5Å; N1043-K1047 PolarHBondContact O-N 3.39Å; Y1044-K1047 PolarHBondContact O-N 3.32Å; K1047-N1049 VanDerWaalsContact C-N 3.3Å; K1047-N1049 PolarHBondContact O-N 2.94Å; K1047-E1050 PolarHBondContact O-N 3.3Å; K1047-E1051 WeakPolarHBondContact CE-OE1 3.47Å; K1047-E1051 WeakPolarHBondContact O-CB 3.49Å; K1047-E1051 VanDerWaalsContact O-CG 3.27Å; K1047-E1051 WeakPolarHBondContact O-CG 3.14Å; K1047-E1051 PolarHBondContact O-N 3.4Å |
| 1048 | T | 83.1 | Confident | 84.6 | Confident | 30 Ų | 30 | 101.6 Ų | 101.6 | 18% | 0.184 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | Y1044 G1045 K1046 L1052 | Y1044-T1048 HydrophobicContact CD1-CG2 4Å; Y1044-T1048 HydrophobicContact CE1-CG2 3.67Å; Y1044-T1048 WeakPolarHBondContact O-CB 3.34Å; Y1044-T1048 VanDerWaalsContact O-CG2 3.28Å; Y1044-T1048 WeakPolarHBondContact O-CG2 3.42Å; Y1044-T1048 PolarHBondContact O-N 3.32Å; Y1044-T1048 PolarHBondContact O-OG1 3.47Å; G1045-T1048 WeakPolarHBondContact CA-OG1 3.34Å; G1045-T1048 PolarHBondContact O-OG1 3.41Å; K1046-T1048 PolarHBondContact O-N 2.89Å; T1048-L1052 WeakPolarHBondContact O-CB 3.26Å; T1048-L1052 WeakPolarHBondContact O-CG 3.39Å; T1048-L1052 PolarHBondContact O-N 3.19Å |
| 1049 | N | 87.2 | Confident | 85.1 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.9 | -37.2 | 175.4 | -169.2 | 59.5 | 0 | 0 | 0 | 112.7 | G1045 K1046 K1047 L1052 Y1053 | G1045-N1049 WeakPolarHBondContact O-CB 3.37Å; G1045-N1049 PolarHBondContact O-N 2.96Å; G1045-N1049 VanDerWaalsContact O-N 3.1Å; K1046-N1049 PolarHBondContact O-N 2.95Å; K1046-N1049 VanDerWaalsContact O-N 3.15Å; K1047-N1049 VanDerWaalsContact C-N 3.3Å; K1047-N1049 PolarHBondContact O-N 2.94Å; N1049-L1052 PolarHBondContact O-N 3.39Å; N1049-Y1053 PolarHBondContact O-N 2.87Å |
| 1050 | E | 86 | Confident | 85.4 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 171.3 | -72.4 | 177.8 | 177.8 | 0 | 0 | 111.3 | K1046 K1047 L1052 Y1053 T1054 | K1046-E1050 PolarHBondContact O-N 2.74Å; K1047-E1050 PolarHBondContact O-N 3.3Å; E1050-L1052 VanDerWaalsContact C-N 3.35Å; E1050-L1052 PolarHBondContact O-N 3.05Å; E1050-Y1053 WeakPolarHBondContact O-CB 3.41Å; E1050-Y1053 PolarHBondContact O-N 3.49Å; E1050-Y1053 VanDerWaalsContact O-N 3.15Å; E1050-T1054 PolarHBondContact O-N 2.85Å; E1050-T1054 PolarHBondContact O-OG1 2.91Å |
| 1051 | E | 83.9 | Confident | 85.8 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 173.6 | -72 | 167.6 | -174.8 | 0 | 0 | 112.2 | K1047 Y1053 T1054 T1055 | K1047-E1051 WeakPolarHBondContact CE-OE1 3.47Å; K1047-E1051 WeakPolarHBondContact O-CB 3.49Å; K1047-E1051 VanDerWaalsContact O-CG 3.27Å; K1047-E1051 WeakPolarHBondContact O-CG 3.14Å; K1047-E1051 PolarHBondContact O-N 3.4Å; E1051-Y1053 VanDerWaalsContact C-N 3.33Å; E1051-T1054 WeakPolarHBondContact CA-OG1 3.42Å; E1051-T1054 PolarHBondContact O-OG1 3.18Å; E1051-T1055 WeakPolarHBondContact O-CB 3.1Å; E1051-T1055 VanDerWaalsContact O-CG2 3.25Å; E1051-T1055 WeakPolarHBondContact O-CG2 3.24Å; E1051-T1055 PolarHBondContact O-N 3.47Å; E1051-T1055 PolarHBondContact O-OG1 3.25Å |
| 1052 | L | 85.6 | Confident | 86.2 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 173 | -82.4 | 169.3 | 0 | 0 | 0 | 112.4 | T1048 N1049 E1050 T1055 K1056 | T1048-L1052 WeakPolarHBondContact O-CB 3.26Å; T1048-L1052 WeakPolarHBondContact O-CG 3.39Å; T1048-L1052 PolarHBondContact O-N 3.19Å; N1049-L1052 PolarHBondContact O-N 3.39Å; E1050-L1052 VanDerWaalsContact C-N 3.35Å; E1050-L1052 PolarHBondContact O-N 3.05Å; L1052-T1055 WeakPolarHBondContact CA-OG1 3.29Å; L1052-T1055 PolarHBondContact O-OG1 3.38Å; L1052-T1055 VanDerWaalsContact O-OG1 3.1Å; L1052-K1056 VanDerWaalsContact O-CB 3.26Å; L1052-K1056 WeakPolarHBondContact O-CB 3.34Å; L1052-K1056 PolarHBondContact O-N 2.89Å; L1052-K1056 VanDerWaalsContact O-N 3.08Å |
| 1053 | Y | 85.8 | Confident | 86.6 | Confident | 159 Ų | 159 | 101.7 Ų | 101.7 | 62% | 0.624 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69 | -43.1 | 176.8 | -174.8 | -99.9 | 0 | 0 | 0 | 111.5 | N1049 E1050 E1051 K1056 I1057 | N1049-Y1053 PolarHBondContact O-N 2.87Å; E1050-Y1053 WeakPolarHBondContact O-CB 3.41Å; E1050-Y1053 PolarHBondContact O-N 3.49Å; E1050-Y1053 VanDerWaalsContact O-N 3.15Å; E1051-Y1053 VanDerWaalsContact C-N 3.33Å; Y1053-K1056 PolarHBondContact O-N 3.4Å; Y1053-I1057 HydrophobicContact CD1-CD1 3.83Å; Y1053-I1057 HydrophobicContact CE1-CD1 3.4Å; Y1053-I1057 VanDerWaalsContact CE1-CD1 3.4Å; Y1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; Y1053-I1057 PolarHBondContact O-N 2.85Å |
| 1054 | T | 87 | Confident | 87 | Confident | 69 Ų | 69 | 101.3 Ų | 101.3 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 176.4 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | E1050 E1051 K1056 I1057 E1058 | E1050-T1054 PolarHBondContact O-N 2.85Å; E1050-T1054 PolarHBondContact O-OG1 2.91Å; E1051-T1054 WeakPolarHBondContact CA-OG1 3.42Å; E1051-T1054 PolarHBondContact O-OG1 3.18Å; T1054-K1056 VanDerWaalsContact C-N 3.27Å; T1054-K1056 PolarHBondContact O-N 3.26Å; T1054-I1057 WeakPolarHBondContact O-CB 3.48Å; T1054-I1057 PolarHBondContact O-N 2.81Å; T1054-E1058 WeakPolarHBondContact O-CG 3.23Å; T1054-E1058 PolarHBondContact O-N 3.21Å |
| 1055 | T | 85.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 96.5 Ų | 96.5 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 112 | E1051 L1052 I1057 E1058 L1059 | E1051-T1055 WeakPolarHBondContact O-CB 3.1Å; E1051-T1055 VanDerWaalsContact O-CG2 3.25Å; E1051-T1055 WeakPolarHBondContact O-CG2 3.24Å; E1051-T1055 PolarHBondContact O-N 3.47Å; E1051-T1055 PolarHBondContact O-OG1 3.25Å; L1052-T1055 WeakPolarHBondContact CA-OG1 3.29Å; L1052-T1055 PolarHBondContact O-OG1 3.38Å; L1052-T1055 VanDerWaalsContact O-OG1 3.1Å; T1055-I1057 PolarHBondContact O-N 3.46Å; T1055-E1058 PolarHBondContact O-N 2.9Å; T1055-L1059 WeakPolarHBondContact O-CB 3.48Å; T1055-L1059 PolarHBondContact O-N 2.9Å |
| 1056 | K | 93.1 | Very high | 87.6 | Confident | 157 Ų | 157 | 100.5 Ų | 100.5 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 174.2 | -174.7 | 177 | -177.9 | 178.8 | 0 | 112.9 | L1052 Y1053 T1054 S1060 | L1052-K1056 VanDerWaalsContact O-CB 3.26Å; L1052-K1056 WeakPolarHBondContact O-CB 3.34Å; L1052-K1056 PolarHBondContact O-N 2.89Å; L1052-K1056 VanDerWaalsContact O-N 3.08Å; Y1053-K1056 PolarHBondContact O-N 3.4Å; T1054-K1056 VanDerWaalsContact C-N 3.27Å; T1054-K1056 PolarHBondContact O-N 3.26Å; K1056-S1060 PolarHBondContact O-N 3.25Å |
| 1057 | I | 89.2 | Confident | 87.8 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 175.2 | -69.3 | 168.1 | 0 | 0 | 0 | 110.2 | Y1053 T1054 T1055 L1059 S1060 S1061 | Y1053-I1057 HydrophobicContact CD1-CD1 3.83Å; Y1053-I1057 HydrophobicContact CE1-CD1 3.4Å; Y1053-I1057 VanDerWaalsContact CE1-CD1 3.4Å; Y1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; Y1053-I1057 PolarHBondContact O-N 2.85Å; T1054-I1057 WeakPolarHBondContact O-CB 3.48Å; T1054-I1057 PolarHBondContact O-N 2.81Å; T1055-I1057 PolarHBondContact O-N 3.46Å; I1057-L1059 VanDerWaalsContact C-N 3.33Å; I1057-L1059 PolarHBondContact O-N 2.94Å; I1057-S1060 WeakPolarHBondContact O-CB 3.49Å; I1057-S1060 PolarHBondContact O-N 3.45Å; I1057-S1061 PolarHBondContact O-N 3.21Å |
| 1058 | E | 89 | Confident | 88.1 | Confident | 118 Ų | 118 | 98.5 Ų | 98.5 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 176.5 | -69.4 | 173.6 | 176.5 | 0 | 0 | 111.9 | T1054 T1055 S1060 S1061 L1062 | T1054-E1058 WeakPolarHBondContact O-CG 3.23Å; T1054-E1058 PolarHBondContact O-N 3.21Å; T1055-E1058 PolarHBondContact O-N 2.9Å; E1058-S1060 VanDerWaalsContact C-N 3.33Å; E1058-S1060 PolarHBondContact O-N 3.47Å; E1058-S1061 WeakPolarHBondContact O-CB 3.37Å; E1058-S1061 PolarHBondContact O-N 2.99Å; E1058-L1062 WeakPolarHBondContact O-CB 3.42Å; E1058-L1062 PolarHBondContact O-N 3.36Å |
| 1059 | L | 89 | Confident | 88.4 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -37.3 | 176.2 | -130.7 | 153.2 | 0 | 0 | 0 | 111.9 | T1055 I1057 K1063 | T1055-L1059 WeakPolarHBondContact O-CB 3.48Å; T1055-L1059 PolarHBondContact O-N 2.9Å; I1057-L1059 VanDerWaalsContact C-N 3.33Å; I1057-L1059 PolarHBondContact O-N 2.94Å; L1059-K1063 WeakPolarHBondContact O-CB 3.33Å; L1059-K1063 PolarHBondContact O-N 3.47Å |
| 1060 | S | 86.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 172.7 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | K1056 I1057 E1058 K1063 D1064 | K1056-S1060 PolarHBondContact O-N 3.25Å; I1057-S1060 WeakPolarHBondContact O-CB 3.49Å; I1057-S1060 PolarHBondContact O-N 3.45Å; E1058-S1060 VanDerWaalsContact C-N 3.33Å; E1058-S1060 PolarHBondContact O-N 3.47Å; S1060-K1063 WeakPolarHBondContact O-CB 3.5Å; S1060-K1063 PolarHBondContact O-N 3.36Å; S1060-D1064 PolarHBondContact O-N 2.88Å |
| 1061 | S | 88.8 | Confident | 88.8 | Confident | 77 Ų | 77 | 101 Ų | 101 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.2 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | I1057 E1058 D1064 S1065 | I1057-S1061 PolarHBondContact O-N 3.21Å; E1058-S1061 WeakPolarHBondContact O-CB 3.37Å; E1058-S1061 PolarHBondContact O-N 2.99Å; S1061-D1064 PolarHBondContact O-N 2.86Å; S1061-S1065 PolarHBondContact O-N 2.85Å |
| 1062 | L | 88.3 | Confident | 89 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 177 | -175.5 | 62 | 0 | 0 | 0 | 111.6 | E1058 S1065 L1066 | E1058-L1062 WeakPolarHBondContact O-CB 3.42Å; E1058-L1062 PolarHBondContact O-N 3.36Å; L1062-S1065 PolarHBondContact O-N 3.26Å; L1062-L1066 PolarHBondContact O-N 3.47Å |
| 1063 | K | 92.1 | Very high | 88.9 | Confident | 136 Ų | 136 | 104.5 Ų | 104.5 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59 | -47 | 174 | -176.8 | -170.1 | 173.4 | -164.8 | 0 | 111.3 | L1059 S1060 S1065 L1066 E1067 | L1059-K1063 WeakPolarHBondContact O-CB 3.33Å; L1059-K1063 PolarHBondContact O-N 3.47Å; S1060-K1063 WeakPolarHBondContact O-CB 3.5Å; S1060-K1063 PolarHBondContact O-N 3.36Å; K1063-S1065 VanDerWaalsContact C-N 3.29Å; K1063-S1065 PolarHBondContact O-N 3.07Å; K1063-L1066 PolarHBondContact O-N 3.03Å; K1063-E1067 PolarHBondContact O-N 2.96Å |
| 1064 | D | 90.8 | Very high | 89.1 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 178.6 | -62.5 | -17.7 | 0 | 0 | 0 | 111.4 | S1060 S1061 E1067 Q1068 | S1060-D1064 PolarHBondContact O-N 2.88Å; S1061-D1064 PolarHBondContact O-N 2.86Å; D1064-E1067 PolarHBondContact O-N 3.29Å; D1064-Q1068 WeakPolarHBondContact O-CG 3.46Å; D1064-Q1068 PolarHBondContact O-N 2.9Å |
| 1065 | S | 89.2 | Confident | 89.3 | Confident | 64 Ų | 64 | 104.7 Ų | 104.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 174.8 | -167.4 | 0 | 0 | 0 | 0 | 112.6 | S1061 L1062 K1063 E1067 Q1068 M1069 | S1061-S1065 PolarHBondContact O-N 2.85Å; L1062-S1065 PolarHBondContact O-N 3.26Å; K1063-S1065 VanDerWaalsContact C-N 3.29Å; K1063-S1065 PolarHBondContact O-N 3.07Å; S1065-E1067 VanDerWaalsContact C-N 3.34Å; S1065-Q1068 PolarHBondContact O-N 3.31Å; S1065-M1069 PolarHBondContact O-N 3.48Å |
| 1066 | L | 89.1 | Confident | 89.4 | Confident | 119 Ų | 119 | 107.5 Ų | 107.5 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 176 | -156.7 | 80.2 | 0 | 0 | 0 | 111.2 | L1062 K1063 M1069 N1070 | L1062-L1066 PolarHBondContact O-N 3.47Å; K1063-L1066 PolarHBondContact O-N 3.03Å; L1066-M1069 PolarHBondContact O-N 2.93Å; L1066-N1070 WeakPolarHBondContact O-CB 3.33Å; L1066-N1070 PolarHBondContact O-N 3.49Å |
| 1067 | E | 91.4 | Very high | 89.4 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.7 | -167.1 | 154.4 | -159.3 | 0 | 0 | 111.2 | K1063 D1064 S1065 M1069 N1070 E1071 | K1063-E1067 PolarHBondContact O-N 2.96Å; D1064-E1067 PolarHBondContact O-N 3.29Å; S1065-E1067 VanDerWaalsContact C-N 3.34Å; E1067-M1069 VanDerWaalsContact C-N 3.34Å; E1067-M1069 PolarHBondContact O-N 3.35Å; E1067-N1070 WeakPolarHBondContact O-CB 3.46Å; E1067-N1070 PolarHBondContact O-N 3.44Å; E1067-E1071 PolarHBondContact O-N 3.37Å |
| 1068 | Q | 89.4 | Confident | 89.4 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 172.6 | -74.6 | 177.7 | 34.8 | 0 | 0 | 113.5 | D1064 S1065 N1070 R1072 | D1064-Q1068 WeakPolarHBondContact O-CG 3.46Å; D1064-Q1068 PolarHBondContact O-N 2.9Å; S1065-Q1068 PolarHBondContact O-N 3.31Å; Q1068-N1070 VanDerWaalsContact C-N 3.34Å; Q1068-R1072 WeakPolarHBondContact O-CG 3.45Å; Q1068-R1072 PolarHBondContact O-N 2.65Å; Q1068-R1072 VanDerWaalsContact O-N 3.12Å |
| 1069 | M | 89.6 | Confident | 89.4 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 175.7 | -173.2 | -174.1 | -73.6 | 0 | 0 | 110.8 | S1065 L1066 E1067 R1072 L1073 | S1065-M1069 PolarHBondContact O-N 3.48Å; L1066-M1069 PolarHBondContact O-N 2.93Å; E1067-M1069 VanDerWaalsContact C-N 3.34Å; E1067-M1069 PolarHBondContact O-N 3.35Å; M1069-R1072 PolarHBondContact O-N 2.89Å; M1069-L1073 PolarHBondContact O-N 3.31Å |
| 1070 | N | 90 | Very high | 89.3 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 178 | -161.8 | 46.4 | 0 | 0 | 0 | 111.8 | L1066 E1067 Q1068 L1073 Q1074 | L1066-N1070 WeakPolarHBondContact O-CB 3.33Å; L1066-N1070 PolarHBondContact O-N 3.49Å; E1067-N1070 WeakPolarHBondContact O-CB 3.46Å; E1067-N1070 PolarHBondContact O-N 3.44Å; Q1068-N1070 VanDerWaalsContact C-N 3.34Å; N1070-L1073 PolarHBondContact O-N 2.93Å; N1070-Q1074 PolarHBondContact O-N 3.33Å |
| 1071 | E | 91.4 | Very high | 89.5 | Confident | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 171.4 | -74.3 | -177.6 | 163.7 | 0 | 0 | 111.8 | E1067 L1073 Q1074 E1075 | E1067-E1071 PolarHBondContact O-N 3.37Å; E1071-L1073 VanDerWaalsContact C-N 3.32Å; E1071-L1073 PolarHBondContact O-N 2.96Å; E1071-Q1074 PolarHBondContact O-N 3.04Å; E1071-E1075 WeakPolarHBondContact O-CG 3.36Å; E1071-E1075 PolarHBondContact O-N 2.93Å |
| 1072 | R | 88.6 | Confident | 89.6 | Confident | 150 Ų | 150 | 106.4 Ų | 106.4 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -37.5 | 176.2 | -75.4 | -179.6 | 179.6 | 113.4 | 0 | 112.7 | Q1068 M1069 E1075 K1076 | Q1068-R1072 WeakPolarHBondContact O-CG 3.45Å; Q1068-R1072 PolarHBondContact O-N 2.65Å; Q1068-R1072 VanDerWaalsContact O-N 3.12Å; M1069-R1072 PolarHBondContact O-N 2.89Å; R1072-E1075 PolarHBondContact O-N 3.26Å; R1072-K1076 VanDerWaalsContact O-CG 3.24Å; R1072-K1076 WeakPolarHBondContact O-CG 3.5Å; R1072-K1076 PolarHBondContact O-N 2.92Å |
| 1073 | L | 84.2 | Confident | 89.7 | Confident | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.4 | -85.9 | 166.8 | 0 | 0 | 0 | 111 | M1069 N1070 E1071 E1075 K1076 E1077 | M1069-L1073 PolarHBondContact O-N 3.31Å; N1070-L1073 PolarHBondContact O-N 2.93Å; E1071-L1073 VanDerWaalsContact C-N 3.32Å; E1071-L1073 PolarHBondContact O-N 2.96Å; L1073-E1075 PolarHBondContact O-N 3.34Å; L1073-K1076 PolarHBondContact O-N 3.2Å; L1073-E1077 WeakPolarHBondContact O-CB 3.22Å; L1073-E1077 PolarHBondContact O-N 2.96Å |
| 1074 | Q | 90.3 | Very high | 89.7 | Confident | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 177.7 | -164 | 176.1 | 0.4 | 0 | 0 | 111.9 | N1070 E1071 K1076 E1077 E1078 | N1070-Q1074 PolarHBondContact O-N 3.33Å; E1071-Q1074 PolarHBondContact O-N 3.04Å; Q1074-K1076 PolarHBondContact O-N 3.47Å; Q1074-E1077 PolarHBondContact O-N 3.32Å; Q1074-E1078 WeakPolarHBondContact O-CB 3.33Å; Q1074-E1078 WeakPolarHBondContact O-CG 3.29Å; Q1074-E1078 PolarHBondContact O-N 2.76Å |
| 1075 | E | 90.4 | Very high | 89.7 | Confident | 114 Ų | 114 | 110.1 Ų | 110.1 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 172.4 | -74 | -179.3 | 172.4 | 0 | 0 | 112.3 | E1071 R1072 L1073 E1078 Q1079 | E1071-E1075 WeakPolarHBondContact O-CG 3.36Å; E1071-E1075 PolarHBondContact O-N 2.93Å; R1072-E1075 PolarHBondContact O-N 3.26Å; L1073-E1075 PolarHBondContact O-N 3.34Å; E1075-E1078 PolarHBondContact O-N 2.93Å; E1075-Q1079 WeakPolarHBondContact O-CB 3.41Å; E1075-Q1079 VanDerWaalsContact O-CG 3.3Å; E1075-Q1079 WeakPolarHBondContact O-CG 3.42Å; E1075-Q1079 PolarHBondContact O-N 3.3Å |
| 1076 | K | 88 | Confident | 89.6 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 177 | -69.8 | -70.7 | 165.4 | -163.6 | 0 | 111.7 | R1072 L1073 Q1074 Q1079 I1080 | R1072-K1076 VanDerWaalsContact O-CG 3.24Å; R1072-K1076 WeakPolarHBondContact O-CG 3.5Å; R1072-K1076 PolarHBondContact O-N 2.92Å; L1073-K1076 PolarHBondContact O-N 3.2Å; Q1074-K1076 PolarHBondContact O-N 3.47Å; K1076-Q1079 PolarHBondContact O-N 2.95Å; K1076-I1080 VanDerWaalsContact O-CG1 3.27Å; K1076-I1080 WeakPolarHBondContact O-CG1 3.32Å; K1076-I1080 PolarHBondContact O-N 2.92Å |
| 1077 | E | 91.6 | Very high | 89.5 | Confident | 122 Ų | 122 | 109.6 Ų | 109.6 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 176.9 | -148.6 | 166.2 | -155.6 | 0 | 0 | 111.6 | L1073 Q1074 I1080 K1081 | L1073-E1077 WeakPolarHBondContact O-CB 3.22Å; L1073-E1077 PolarHBondContact O-N 2.96Å; Q1074-E1077 PolarHBondContact O-N 3.32Å; E1077-I1080 PolarHBondContact O-N 3.43Å; E1077-K1081 WeakPolarHBondContact O-CG 3.21Å; E1077-K1081 PolarHBondContact O-N 2.86Å |
| 1078 | E | 89.6 | Confident | 89.5 | Confident | 79 Ų | 79 | 109.4 Ų | 109.4 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 171.2 | -77.6 | -59.9 | 135.2 | 0 | 0 | 112.6 | Q1074 E1075 I1080 K1081 K1082 | Q1074-E1078 WeakPolarHBondContact O-CB 3.33Å; Q1074-E1078 WeakPolarHBondContact O-CG 3.29Å; Q1074-E1078 PolarHBondContact O-N 2.76Å; E1075-E1078 PolarHBondContact O-N 2.93Å; E1078-I1080 VanDerWaalsContact C-N 3.33Å; E1078-I1080 PolarHBondContact O-N 2.89Å; E1078-K1081 PolarHBondContact O-N 3.27Å; E1078-K1081 IonicContact OE1-NZ 3.08Å; E1078-K1081 PolarHBondContact OE1-NZ 2.81Å; E1078-K1082 WeakPolarHBondContact O-CG 3.28Å; E1078-K1082 PolarHBondContact O-N 3.34Å |
| 1079 | Q | 88.8 | Confident | 89.5 | Confident | 88 Ų | 88 | 109.9 Ų | 109.9 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 172.4 | -76.8 | 170.8 | 19.9 | 0 | 0 | 111.5 | E1075 K1076 K1082 L1083 | E1075-Q1079 WeakPolarHBondContact O-CB 3.41Å; E1075-Q1079 VanDerWaalsContact O-CG 3.3Å; E1075-Q1079 WeakPolarHBondContact O-CG 3.42Å; E1075-Q1079 PolarHBondContact O-N 3.3Å; K1076-Q1079 PolarHBondContact O-N 2.95Å; Q1079-K1082 PolarHBondContact O-N 3.23Å; Q1079-L1083 WeakPolarHBondContact O-CG 3.18Å; Q1079-L1083 PolarHBondContact O-N 3.34Å |
| 1080 | I | 86.6 | Confident | 89.4 | Confident | 78 Ų | 78 | 110 Ų | 110 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.8 | -71.3 | 166.7 | 0 | 0 | 0 | 111.2 | K1076 E1077 E1078 L1083 R1084 | K1076-I1080 VanDerWaalsContact O-CG1 3.27Å; K1076-I1080 WeakPolarHBondContact O-CG1 3.32Å; K1076-I1080 PolarHBondContact O-N 2.92Å; E1077-I1080 PolarHBondContact O-N 3.43Å; E1078-I1080 VanDerWaalsContact C-N 3.33Å; E1078-I1080 PolarHBondContact O-N 2.89Å; I1080-L1083 PolarHBondContact O-N 2.89Å; I1080-R1084 WeakPolarHBondContact O-CG 3.32Å; I1080-R1084 PolarHBondContact O-N 3.38Å |
| 1081 | K | 91.3 | Very high | 89.4 | Confident | 102 Ų | 102 | 108.5 Ų | 108.5 | 44% | 0.443 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 174 | -73.7 | 177.2 | -164.3 | 165.8 | 0 | 111.5 | E1077 E1078 L1083 R1084 I1085 | E1077-K1081 WeakPolarHBondContact O-CG 3.21Å; E1077-K1081 PolarHBondContact O-N 2.86Å; E1078-K1081 PolarHBondContact O-N 3.27Å; E1078-K1081 IonicContact OE1-NZ 3.08Å; E1078-K1081 PolarHBondContact OE1-NZ 2.81Å; K1081-L1083 PolarHBondContact O-N 2.94Å; K1081-R1084 PolarHBondContact O-N 2.88Å; K1081-I1085 WeakPolarHBondContact O-CG1 3.24Å; K1081-I1085 PolarHBondContact O-N 3.45Å |
| 1082 | K | 91.3 | Very high | 89.5 | Confident | 136 Ų | 136 | 107 Ų | 107 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.4 | -48.3 | 175.6 | -71.9 | 175.6 | -176.7 | -178.1 | 0 | 111.5 | E1078 Q1079 R1084 I1085 T1086 | E1078-K1082 WeakPolarHBondContact O-CG 3.28Å; E1078-K1082 PolarHBondContact O-N 3.34Å; Q1079-K1082 PolarHBondContact O-N 3.23Å; K1082-R1084 VanDerWaalsContact C-N 3.32Å; K1082-R1084 PolarHBondContact O-N 2.84Å; K1082-I1085 PolarHBondContact O-N 2.9Å; K1082-I1085 VanDerWaalsContact O-N 3.15Å; K1082-T1086 PolarHBondContact O-N 3.44Å; K1082-T1086 PolarHBondContact O-OG1 3.47Å; K1082-T1086 VanDerWaalsContact O-OG1 3.06Å |
| 1083 | L | 89.4 | Confident | 89.5 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -38.9 | 177.2 | -73.2 | 170.2 | 0 | 0 | 0 | 112.6 | Q1079 I1080 K1081 T1086 I1087 | Q1079-L1083 WeakPolarHBondContact O-CG 3.18Å; Q1079-L1083 PolarHBondContact O-N 3.34Å; I1080-L1083 PolarHBondContact O-N 2.89Å; K1081-L1083 PolarHBondContact O-N 2.94Å; L1083-T1086 PolarHBondContact O-N 2.92Å; L1083-I1087 WeakPolarHBondContact O-CB 3.33Å; L1083-I1087 VanDerWaalsContact O-CG1 3.26Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.38Å; L1083-I1087 PolarHBondContact O-N 2.81Å |
| 1084 | R | 92.1 | Very high | 89.8 | Confident | 173 Ų | 173 | 103.7 Ų | 103.7 | 65% | 0.653 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 174.5 | -79.4 | -174.4 | -129.6 | -100.8 | 3.8 | 112.4 | I1080 K1081 K1082 I1087 Q1088 | I1080-R1084 WeakPolarHBondContact O-CG 3.32Å; I1080-R1084 PolarHBondContact O-N 3.38Å; K1081-R1084 PolarHBondContact O-N 2.88Å; K1082-R1084 VanDerWaalsContact C-N 3.32Å; K1082-R1084 PolarHBondContact O-N 2.84Å; R1084-I1087 PolarHBondContact O-N 3.48Å; R1084-Q1088 WeakPolarHBondContact O-CB 3.46Å; R1084-Q1088 PolarHBondContact O-N 3.22Å |
| 1085 | I | 90.5 | Very high | 89.9 | Confident | 100 Ų | 100 | 103.6 Ų | 103.6 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 177 | -66 | 165.7 | 0 | 0 | 0 | 109.8 | K1081 K1082 I1087 Q1088 E1089 | K1081-I1085 WeakPolarHBondContact O-CG1 3.24Å; K1081-I1085 PolarHBondContact O-N 3.45Å; K1082-I1085 PolarHBondContact O-N 2.9Å; K1082-I1085 VanDerWaalsContact O-N 3.15Å; I1085-I1087 VanDerWaalsContact C-N 3.33Å; I1085-I1087 PolarHBondContact O-N 3.33Å; I1085-Q1088 WeakPolarHBondContact O-CA 3.43Å; I1085-Q1088 WeakPolarHBondContact O-CB 3.5Å; I1085-Q1088 PolarHBondContact O-N 3.29Å; I1085-E1089 HydrophobicContact CG2-CG 4.45Å; I1085-E1089 WeakPolarHBondContact O-CG 3.23Å; I1085-E1089 PolarHBondContact O-N 3.48Å |
| 1086 | T | 87.2 | Confident | 89.9 | Confident | 65 Ų | 65 | 103.5 Ų | 103.5 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.7 | -49.2 | 0 | 0 | 0 | 0 | 112.4 | K1082 L1083 Q1088 E1089 L1090 | K1082-T1086 PolarHBondContact O-N 3.44Å; K1082-T1086 PolarHBondContact O-OG1 3.47Å; K1082-T1086 VanDerWaalsContact O-OG1 3.06Å; L1083-T1086 PolarHBondContact O-N 2.92Å; T1086-Q1088 VanDerWaalsContact C-N 3.34Å; T1086-E1089 PolarHBondContact O-N 2.88Å; T1086-L1090 HydrophobicContact CG2-CD1 4.32Å; T1086-L1090 WeakPolarHBondContact O-CB 3.41Å; T1086-L1090 WeakPolarHBondContact O-CG 3.49Å; T1086-L1090 PolarHBondContact O-N 3.27Å |
| 1087 | I | 87.8 | Confident | 90 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 55% | 0.549 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 174 | -70.8 | 166.6 | 0 | 0 | 0 | 110.7 | L1083 R1084 I1085 L1090 T1091 | L1083-I1087 WeakPolarHBondContact O-CB 3.33Å; L1083-I1087 VanDerWaalsContact O-CG1 3.26Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.38Å; L1083-I1087 PolarHBondContact O-N 2.81Å; R1084-I1087 PolarHBondContact O-N 3.48Å; I1085-I1087 VanDerWaalsContact C-N 3.33Å; I1085-I1087 PolarHBondContact O-N 3.33Å; I1087-L1090 PolarHBondContact O-N 2.97Å; I1087-T1091 WeakPolarHBondContact O-CB 3.48Å; I1087-T1091 PolarHBondContact O-N 3.3Å; I1087-T1091 PolarHBondContact O-OG1 3.46Å |
| 1088 | Q | 91.1 | Very high | 90 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.2 | -173.8 | 62.6 | 58.4 | 0 | 0 | 111.8 | R1084 I1085 T1086 T1091 N1092 | R1084-Q1088 WeakPolarHBondContact O-CB 3.46Å; R1084-Q1088 PolarHBondContact O-N 3.22Å; I1085-Q1088 WeakPolarHBondContact O-CA 3.43Å; I1085-Q1088 WeakPolarHBondContact O-CB 3.5Å; I1085-Q1088 PolarHBondContact O-N 3.29Å; T1086-Q1088 VanDerWaalsContact C-N 3.34Å; Q1088-T1091 PolarHBondContact O-N 3.44Å; Q1088-N1092 PolarHBondContact NE2-OD1 3.07Å; Q1088-N1092 PolarHBondContact O-N 2.84Å; Q1088-N1092 PolarHBondContact O-OD1 2.93Å |
| 1089 | E | 88.8 | Confident | 89.9 | Confident | 108 Ų | 108 | 102.9 Ų | 102.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.3 | -71.5 | 168.1 | 170.8 | 0 | 0 | 112.3 | I1085 T1086 T1091 N1092 S1093 | I1085-E1089 HydrophobicContact CG2-CG 4.45Å; I1085-E1089 WeakPolarHBondContact O-CG 3.23Å; I1085-E1089 PolarHBondContact O-N 3.48Å; T1086-E1089 PolarHBondContact O-N 2.88Å; E1089-T1091 VanDerWaalsContact C-N 3.31Å; E1089-T1091 PolarHBondContact O-N 3.45Å; E1089-N1092 PolarHBondContact O-N 3.36Å; E1089-S1093 WeakPolarHBondContact O-CB 3.24Å; E1089-S1093 PolarHBondContact O-N 3.3Å; E1089-S1093 PolarHBondContact O-OG 2.93Å |
| 1090 | L | 89 | Confident | 90 | Very high | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 174.3 | -76.2 | 168.6 | 0 | 0 | 0 | 111.7 | T1086 I1087 S1093 K1094 | T1086-L1090 HydrophobicContact CG2-CD1 4.32Å; T1086-L1090 WeakPolarHBondContact O-CB 3.41Å; T1086-L1090 WeakPolarHBondContact O-CG 3.49Å; T1086-L1090 PolarHBondContact O-N 3.27Å; I1087-L1090 PolarHBondContact O-N 2.97Å; L1090-S1093 PolarHBondContact O-N 3.5Å; L1090-K1094 VanDerWaalsContact O-CB 3.31Å; L1090-K1094 WeakPolarHBondContact O-CB 3.34Å; L1090-K1094 PolarHBondContact O-N 3.37Å |
| 1091 | T | 90.5 | Very high | 90 | Very high | 73 Ų | 73 | 105 Ų | 105 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 177.1 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | I1087 Q1088 E1089 K1094 H1095 | I1087-T1091 WeakPolarHBondContact O-CB 3.48Å; I1087-T1091 PolarHBondContact O-N 3.3Å; I1087-T1091 PolarHBondContact O-OG1 3.46Å; Q1088-T1091 PolarHBondContact O-N 3.44Å; E1089-T1091 VanDerWaalsContact C-N 3.31Å; E1089-T1091 PolarHBondContact O-N 3.45Å; T1091-K1094 PolarHBondContact O-N 3.33Å; T1091-H1095 PolarHBondContact O-N 3.37Å |
| 1092 | N | 92.3 | Very high | 89.9 | Confident | 82 Ų | 82 | 106.7 Ų | 106.7 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 174.8 | -66.5 | -7.4 | 0 | 0 | 0 | 111.2 | Q1088 E1089 K1094 H1095 E1096 | Q1088-N1092 PolarHBondContact NE2-OD1 3.07Å; Q1088-N1092 PolarHBondContact O-N 2.84Å; Q1088-N1092 PolarHBondContact O-OD1 2.93Å; E1089-N1092 PolarHBondContact O-N 3.36Å; N1092-K1094 PolarHBondContact O-N 3.16Å; N1092-H1095 WeakPolarHBondContact O-CB 3.39Å; N1092-H1095 PolarHBondContact O-N 2.98Å; N1092-H1095 VanDerWaalsContact O-N 3.15Å; N1092-E1096 PolarHBondContact O-N 2.89Å |
| 1093 | S | 88.7 | Confident | 89.8 | Confident | 54 Ų | 54 | 106.1 Ų | 106.1 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.2 | -60 | 0 | 0 | 0 | 0 | 111.4 | E1089 L1090 H1095 E1096 Y1097 | E1089-S1093 WeakPolarHBondContact O-CB 3.24Å; E1089-S1093 PolarHBondContact O-N 3.3Å; E1089-S1093 PolarHBondContact O-OG 2.93Å; L1090-S1093 PolarHBondContact O-N 3.5Å; S1093-H1095 VanDerWaalsContact C-N 3.31Å; S1093-H1095 PolarHBondContact O-N 2.92Å; S1093-E1096 PolarHBondContact O-N 3.16Å; S1093-Y1097 WeakPolarHBondContact O-CD2 3.37Å; S1093-Y1097 PolarHBondContact O-N 2.77Å |
| 1094 | K | 91.3 | Very high | 89.7 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.3 | -46 | 173.7 | -179 | -174 | 171.3 | -170.4 | 0 | 111.2 | L1090 T1091 N1092 E1096 Y1097 E1098 | L1090-K1094 VanDerWaalsContact O-CB 3.31Å; L1090-K1094 WeakPolarHBondContact O-CB 3.34Å; L1090-K1094 PolarHBondContact O-N 3.37Å; T1091-K1094 PolarHBondContact O-N 3.33Å; N1092-K1094 PolarHBondContact O-N 3.16Å; K1094-E1096 PolarHBondContact O-N 2.93Å; K1094-Y1097 PolarHBondContact O-N 2.89Å; K1094-E1098 WeakPolarHBondContact CE-OE1 3.47Å; K1094-E1098 IonicContact NZ-OE1 2.7Å; K1094-E1098 WeakPolarHBondContact O-CG 3.42Å; K1094-E1098 PolarHBondContact O-N 3.42Å |
| 1095 | H | 92 | Very high | 89.3 | Confident | 115 Ų | 115 | 104.1 Ų | 104.1 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 178.5 | -174.9 | 59.7 | 0 | 0 | 0 | 113 | T1091 N1092 S1093 E1098 C1099 | T1091-H1095 PolarHBondContact O-N 3.37Å; N1092-H1095 WeakPolarHBondContact O-CB 3.39Å; N1092-H1095 PolarHBondContact O-N 2.98Å; N1092-H1095 VanDerWaalsContact O-N 3.15Å; S1093-H1095 VanDerWaalsContact C-N 3.31Å; S1093-H1095 PolarHBondContact O-N 2.92Å; H1095-E1098 PolarHBondContact O-N 2.99Å; H1095-C1099 WeakPolarHBondContact O-CB 3.23Å; H1095-C1099 PolarHBondContact O-N 3.29Å; H1095-C1099 PolarHBondContact O-SG 2.88Å; H1095-C1099 VanDerWaalsContact O-SG 3.41Å |
| 1096 | E | 89.8 | Confident | 89.2 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.7 | -73.3 | -170.3 | -179.7 | 0 | 0 | 112.2 | N1092 S1093 K1094 C1099 K1100 | N1092-E1096 PolarHBondContact O-N 2.89Å; S1093-E1096 PolarHBondContact O-N 3.16Å; K1094-E1096 PolarHBondContact O-N 2.93Å; E1096-C1099 PolarHBondContact O-N 3.42Å; E1096-K1100 WeakPolarHBondContact O-CG 3.34Å; E1096-K1100 PolarHBondContact O-N 3.43Å |
| 1097 | Y | 89.9 | Confident | 89.2 | Confident | 145 Ų | 145 | 102.8 Ų | 102.8 | 57% | 0.569 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | 176.3 | -73.4 | -64 | 0 | 0 | 0 | 111.9 | S1093 K1094 C1099 K1100 I1101 | S1093-Y1097 WeakPolarHBondContact O-CD2 3.37Å; S1093-Y1097 PolarHBondContact O-N 2.77Å; K1094-Y1097 PolarHBondContact O-N 2.89Å; Y1097-C1099 VanDerWaalsContact C-N 3.31Å; Y1097-C1099 PolarHBondContact O-N 3.03Å; Y1097-K1100 PolarHBondContact O-N 3.32Å; Y1097-I1101 WeakPolarHBondContact O-CB 3.46Å; Y1097-I1101 VanDerWaalsContact O-CG1 3.26Å; Y1097-I1101 WeakPolarHBondContact O-CG1 3.5Å; Y1097-I1101 PolarHBondContact O-N 3.01Å |
| 1098 | E | 91.4 | Very high | 88.9 | Confident | 98 Ų | 98 | 101.6 Ų | 101.6 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 172.6 | -76 | 175.4 | 171.6 | 0 | 0 | 111.5 | K1094 H1095 I1101 K1102 | K1094-E1098 WeakPolarHBondContact CE-OE1 3.47Å; K1094-E1098 IonicContact NZ-OE1 2.7Å; K1094-E1098 WeakPolarHBondContact O-CG 3.42Å; K1094-E1098 PolarHBondContact O-N 3.42Å; H1095-E1098 PolarHBondContact O-N 2.99Å; E1098-I1101 PolarHBondContact O-N 3.36Å; E1098-K1102 WeakPolarHBondContact O-CB 3.25Å; E1098-K1102 PolarHBondContact O-N 3.46Å |
| 1099 | C | 88.5 | Confident | 88.5 | Confident | 63 Ų | 63 | 99.9 Ų | 99.9 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.4 | -76.6 | 0 | 0 | 0 | 0 | 112.7 | H1095 E1096 Y1097 K1102 H1103 | H1095-C1099 WeakPolarHBondContact O-CB 3.23Å; H1095-C1099 PolarHBondContact O-N 3.29Å; H1095-C1099 PolarHBondContact O-SG 2.88Å; H1095-C1099 VanDerWaalsContact O-SG 3.41Å; E1096-C1099 PolarHBondContact O-N 3.42Å; Y1097-C1099 VanDerWaalsContact C-N 3.31Å; Y1097-C1099 PolarHBondContact O-N 3.03Å; C1099-K1102 PolarHBondContact O-N 3.45Å; C1099-H1103 WeakPolarHBondContact O-CB 3.4Å; C1099-H1103 PolarHBondContact O-N 2.89Å |
| 1100 | K | 90.6 | Very high | 88.3 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.3 | -78.6 | 171.1 | -177.5 | 160.6 | 0 | 112 | E1096 Y1097 H1103 L1104 | E1096-K1100 WeakPolarHBondContact O-CG 3.34Å; E1096-K1100 PolarHBondContact O-N 3.43Å; Y1097-K1100 PolarHBondContact O-N 3.32Å; K1100-H1103 PolarHBondContact O-N 3.32Å; K1100-L1104 WeakPolarHBondContact O-CB 3.49Å; K1100-L1104 WeakPolarHBondContact O-CG 3.49Å; K1100-L1104 PolarHBondContact O-N 2.8Å |
| 1101 | I | 86.2 | Confident | 87.6 | Confident | 100 Ų | 100 | 101.3 Ų | 101.3 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 176.3 | -70.3 | 166.8 | 0 | 0 | 0 | 109.5 | Y1097 E1098 H1103 L1104 Q1105 | Y1097-I1101 WeakPolarHBondContact O-CB 3.46Å; Y1097-I1101 VanDerWaalsContact O-CG1 3.26Å; Y1097-I1101 WeakPolarHBondContact O-CG1 3.5Å; Y1097-I1101 PolarHBondContact O-N 3.01Å; E1098-I1101 PolarHBondContact O-N 3.36Å; I1101-H1103 VanDerWaalsContact C-N 3.34Å; I1101-H1103 PolarHBondContact O-N 3.37Å; I1101-L1104 PolarHBondContact O-N 2.94Å; I1101-Q1105 VanDerWaalsContact O-CB 3.26Å; I1101-Q1105 WeakPolarHBondContact O-CB 3.36Å; I1101-Q1105 PolarHBondContact O-N 3.23Å |
| 1102 | K | 89.8 | Confident | 86.9 | Confident | 136 Ų | 136 | 105.6 Ų | 105.6 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 176.1 | -169.9 | 179.6 | 179.8 | -176.6 | 0 | 111.8 | E1098 C1099 Q1105 D1106 | E1098-K1102 WeakPolarHBondContact O-CB 3.25Å; E1098-K1102 PolarHBondContact O-N 3.46Å; C1099-K1102 PolarHBondContact O-N 3.45Å; K1102-Q1105 PolarHBondContact O-N 3.3Å; K1102-D1106 WeakPolarHBondContact O-CB 3.48Å; K1102-D1106 VanDerWaalsContact O-CG 3.24Å; K1102-D1106 PolarHBondContact O-N 2.86Å |
| 1103 | H | 89.9 | Confident | 86 | Confident | 125 Ų | 125 | 108.1 Ų | 108.1 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 177.5 | -174.9 | 48.3 | 0 | 0 | 0 | 112.3 | C1099 K1100 I1101 Q1105 D1106 T1107 | C1099-H1103 WeakPolarHBondContact O-CB 3.4Å; C1099-H1103 PolarHBondContact O-N 2.89Å; K1100-H1103 PolarHBondContact O-N 3.32Å; I1101-H1103 VanDerWaalsContact C-N 3.34Å; I1101-H1103 PolarHBondContact O-N 3.37Å; H1103-Q1105 VanDerWaalsContact C-N 3.25Å; H1103-Q1105 PolarHBondContact O-N 2.89Å; H1103-D1106 PolarHBondContact O-N 3.46Å; H1103-T1107 PolarHBondContact O-N 3.34Å; H1103-T1107 PolarHBondContact O-OG1 2.87Å |
| 1104 | L | 85.7 | Confident | 85.2 | Confident | 121 Ų | 121 | 110.4 Ų | 110.4 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -36.9 | 174.9 | -74.1 | 170.9 | 0 | 0 | 0 | 111.8 | K1100 I1101 T1107 L1108 | K1100-L1104 WeakPolarHBondContact O-CB 3.49Å; K1100-L1104 WeakPolarHBondContact O-CG 3.49Å; K1100-L1104 PolarHBondContact O-N 2.8Å; I1101-L1104 PolarHBondContact O-N 2.94Å; L1104-T1107 PolarHBondContact O-N 2.92Å; L1104-L1108 VanDerWaalsContact O-CB 3.28Å; L1104-L1108 WeakPolarHBondContact O-CB 3.48Å; L1104-L1108 PolarHBondContact O-N 3.25Å |
| 1105 | Q | 85.1 | Confident | 83.7 | Confident | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71 | -38.6 | 178.6 | -159.5 | 156.1 | 0.7 | 0 | 0 | 111.8 | I1101 K1102 H1103 L1108 N1109 | I1101-Q1105 VanDerWaalsContact O-CB 3.26Å; I1101-Q1105 WeakPolarHBondContact O-CB 3.36Å; I1101-Q1105 PolarHBondContact O-N 3.23Å; K1102-Q1105 PolarHBondContact O-N 3.3Å; H1103-Q1105 VanDerWaalsContact C-N 3.25Å; H1103-Q1105 PolarHBondContact O-N 2.89Å; Q1105-L1108 PolarHBondContact O-N 2.95Å; Q1105-N1109 WeakPolarHBondContact O-CB 3.29Å; Q1105-N1109 PolarHBondContact O-N 2.99Å; Q1105-N1109 PolarHBondContact O-ND2 3.38Å |
| 1106 | D | 88.7 | Confident | 82.2 | Confident | 83 Ų | 83 | 105.2 Ų | 105.2 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 172.5 | -68.2 | -21 | 0 | 0 | 0 | 111.2 | K1102 H1103 N1109 Y1110 | K1102-D1106 WeakPolarHBondContact O-CB 3.48Å; K1102-D1106 VanDerWaalsContact O-CG 3.24Å; K1102-D1106 PolarHBondContact O-N 2.86Å; H1103-D1106 PolarHBondContact O-N 3.46Å; D1106-N1109 PolarHBondContact O-N 2.86Å; D1106-Y1110 WeakPolarHBondContact O-CB 3.4Å; D1106-Y1110 PolarHBondContact O-N 2.98Å |
| 1107 | T | 86.3 | Confident | 80.8 | Confident | 55 Ų | 55 | 105.7 Ų | 105.7 | 34% | 0.337 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | H1103 L1104 N1109 Y1110 E1111 | H1103-T1107 PolarHBondContact O-N 3.34Å; H1103-T1107 PolarHBondContact O-OG1 2.87Å; L1104-T1107 PolarHBondContact O-N 2.92Å; T1107-N1109 VanDerWaalsContact C-N 3.33Å; T1107-Y1110 PolarHBondContact O-N 2.98Å; T1107-E1111 PolarHBondContact O-N 2.98Å |
| 1108 | L | 82.3 | Confident | 79 | Confident | 82 Ų | 82 | 101.7 Ų | 101.7 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 177.7 | -161.1 | 153.5 | 0 | 0 | 0 | 111.3 | L1104 Q1105 R1112 | L1104-L1108 VanDerWaalsContact O-CB 3.28Å; L1104-L1108 WeakPolarHBondContact O-CB 3.48Å; L1104-L1108 PolarHBondContact O-N 3.25Å; Q1105-L1108 PolarHBondContact O-N 2.95Å; L1108-R1112 HydrophobicContact CD2-CG 4.22Å; L1108-R1112 VanDerWaalsContact CD2-NE 3.26Å; L1108-R1112 WeakPolarHBondContact O-CB 3.48Å; L1108-R1112 WeakPolarHBondContact O-CG 3.29Å; L1108-R1112 PolarHBondContact O-N 3.45Å |
| 1109 | N | 82.2 | Confident | 77.1 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 171.3 | -71.9 | -20.6 | 0 | 0 | 0 | 111.3 | Q1105 D1106 T1107 R1112 E1113 | Q1105-N1109 WeakPolarHBondContact O-CB 3.29Å; Q1105-N1109 PolarHBondContact O-N 2.99Å; Q1105-N1109 PolarHBondContact O-ND2 3.38Å; D1106-N1109 PolarHBondContact O-N 2.86Å; T1107-N1109 VanDerWaalsContact C-N 3.33Å; N1109-R1112 PolarHBondContact O-N 3.26Å; N1109-E1113 WeakPolarHBondContact O-CB 3.46Å; N1109-E1113 WeakPolarHBondContact O-CG 3.42Å; N1109-E1113 PolarHBondContact O-N 3.34Å |
| 1110 | Y | 83.8 | Confident | 75.5 | Confident | 138 Ų | 138 | 105.2 Ų | 105.2 | 54% | 0.541 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.7 | -177.9 | -89.1 | 0 | 0 | 0 | 111.3 | D1106 T1107 R1112 E1113 E1114 | D1106-Y1110 WeakPolarHBondContact O-CB 3.4Å; D1106-Y1110 PolarHBondContact O-N 2.98Å; T1107-Y1110 PolarHBondContact O-N 2.98Å; Y1110-R1112 VanDerWaalsContact C-N 3.33Å; Y1110-R1112 PolarHBondContact O-N 3.48Å; Y1110-E1113 PolarHBondContact O-N 3.18Å; Y1110-E1114 HydrophobicContact CE1-CB 4.39Å; Y1110-E1114 HydrophobicContact CE1-CG 4.48Å; Y1110-E1114 VanDerWaalsContact O-CB 3.24Å; Y1110-E1114 WeakPolarHBondContact O-CB 3.45Å; Y1110-E1114 PolarHBondContact O-N 3.37Å; Y1110-E1114 PolarHBondContact OH-OE1 3.23Å |
| 1111 | E | 75.4 | Confident | 73.7 | Confident | 114 Ų | 114 | 103.9 Ų | 103.9 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 175 | -79.5 | -176.5 | 167.1 | 0 | 0 | 112.5 | T1107 S1115 | T1107-E1111 PolarHBondContact O-N 2.98Å; E1111-S1115 WeakPolarHBondContact O-CB 3.3Å; E1111-S1115 PolarHBondContact O-N 3.07Å; E1111-S1115 PolarHBondContact O-OG 2.74Å |
| 1112 | R | 75.7 | Confident | 72.1 | Confident | 163 Ų | 163 | 104.2 Ų | 104.2 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68 | -41.7 | 173.6 | -83.5 | -176.3 | -168.8 | -172.2 | 6.2 | 112 | L1108 N1109 Y1110 S1116 | L1108-R1112 HydrophobicContact CD2-CG 4.22Å; L1108-R1112 VanDerWaalsContact CD2-NE 3.26Å; L1108-R1112 WeakPolarHBondContact O-CB 3.48Å; L1108-R1112 WeakPolarHBondContact O-CG 3.29Å; L1108-R1112 PolarHBondContact O-N 3.45Å; N1109-R1112 PolarHBondContact O-N 3.26Å; Y1110-R1112 VanDerWaalsContact C-N 3.33Å; Y1110-R1112 PolarHBondContact O-N 3.48Å; R1112-S1116 WeakPolarHBondContact O-CB 3.49Å; R1112-S1116 PolarHBondContact O-N 2.87Å; R1112-S1116 PolarHBondContact O-OG 3.02Å |
| 1113 | E | 73.6 | Confident | 70.3 | Confident | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -44.9 | 176 | -75.9 | 178.8 | -177 | 0 | 0 | 110.3 | N1109 Y1110 S1116 Q1117 | N1109-E1113 WeakPolarHBondContact O-CB 3.46Å; N1109-E1113 WeakPolarHBondContact O-CG 3.42Å; N1109-E1113 PolarHBondContact O-N 3.34Å; Y1110-E1113 PolarHBondContact O-N 3.18Å; E1113-S1116 PolarHBondContact O-N 2.94Å; E1113-Q1117 VanDerWaalsContact O-CB 3.26Å; E1113-Q1117 WeakPolarHBondContact O-CB 3.35Å; E1113-Q1117 PolarHBondContact O-N 2.93Å |
| 1114 | E | 70.9 | Confident | 68.5 | Low | 102 Ų | 102 | 102.2 Ų | 102.2 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.3 | -157.7 | 174.5 | -130.8 | 0 | 0 | 111.3 | Y1110 C1118 | Y1110-E1114 HydrophobicContact CE1-CB 4.39Å; Y1110-E1114 HydrophobicContact CE1-CG 4.48Å; Y1110-E1114 VanDerWaalsContact O-CB 3.24Å; Y1110-E1114 WeakPolarHBondContact O-CB 3.45Å; Y1110-E1114 PolarHBondContact O-N 3.37Å; Y1110-E1114 PolarHBondContact OH-OE1 3.23Å; E1114-C1118 WeakPolarHBondContact O-CB 3.46Å; E1114-C1118 PolarHBondContact O-N 3.49Å |
| 1115 | S | 60.8 | Low | 67 | Low | 62 Ų | 62 | 99.9 Ų | 99.9 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 172.3 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | E1111 H1119 | E1111-S1115 WeakPolarHBondContact O-CB 3.3Å; E1111-S1115 PolarHBondContact O-N 3.07Å; E1111-S1115 PolarHBondContact O-OG 2.74Å; S1115-H1119 VanDerWaalsContact O-CB 3.29Å; S1115-H1119 WeakPolarHBondContact O-CB 3.47Å; S1115-H1119 PolarHBondContact O-CD2 3.41Å; S1115-H1119 PolarHBondContact O-N 3.02Å |
| 1116 | S | 59.6 | Low | 65.3 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.1 | -38.6 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | R1112 E1113 H1119 H1120 | R1112-S1116 WeakPolarHBondContact O-CB 3.49Å; R1112-S1116 PolarHBondContact O-N 2.87Å; R1112-S1116 PolarHBondContact O-OG 3.02Å; E1113-S1116 PolarHBondContact O-N 2.94Å; S1116-H1119 PolarHBondContact O-N 3.22Å; S1116-H1120 WeakPolarHBondContact O-CB 3.49Å; S1116-H1120 PolarHBondContact O-N 2.92Å |
| 1117 | Q | 60.3 | Low | 63.6 | Low | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -44.1 | 173.5 | -161.9 | 78.4 | 24.5 | 0 | 0 | 110.1 | E1113 H1119 H1120 D1121 | E1113-Q1117 VanDerWaalsContact O-CB 3.26Å; E1113-Q1117 WeakPolarHBondContact O-CB 3.35Å; E1113-Q1117 PolarHBondContact O-N 2.93Å; Q1117-H1119 VanDerWaalsContact C-N 3.34Å; Q1117-H1119 PolarHBondContact O-N 3.28Å; Q1117-H1120 PolarHBondContact O-N 3.46Å; Q1117-H1120 VanDerWaalsContact O-N 3.15Å; Q1117-D1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-D1121 PolarHBondContact O-N 3.34Å |
| 1118 | C | 51.5 | Low | 62.3 | Low | 61 Ų | 61 | 100.6 Ų | 100.6 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 172.8 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | E1114 Q1122 | E1114-C1118 WeakPolarHBondContact O-CB 3.46Å; E1114-C1118 PolarHBondContact O-N 3.49Å; C1118-Q1122 WeakPolarHBondContact O-CA 3.24Å; C1118-Q1122 WeakPolarHBondContact O-CB 3.46Å; C1118-Q1122 WeakPolarHBondContact O-CG 3.41Å; C1118-Q1122 PolarHBondContact O-N 3.31Å |
| 1119 | H | 52.9 | Low | 60.9 | Low | 123 Ų | 123 | 100.9 Ų | 100.9 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -32.7 | 173.3 | -87 | -53.6 | 0 | 0 | 0 | 112.9 | S1115 S1116 Q1117 M1123 | S1115-H1119 VanDerWaalsContact O-CB 3.29Å; S1115-H1119 WeakPolarHBondContact O-CB 3.47Å; S1115-H1119 PolarHBondContact O-CD2 3.41Å; S1115-H1119 PolarHBondContact O-N 3.02Å; S1116-H1119 PolarHBondContact O-N 3.22Å; Q1117-H1119 VanDerWaalsContact C-N 3.34Å; Q1117-H1119 PolarHBondContact O-N 3.28Å; H1119-M1123 VanDerWaalsContact O-CB 3.25Å; H1119-M1123 WeakPolarHBondContact O-CB 3.36Å; H1119-M1123 WeakPolarHBondContact O-CG 3.48Å; H1119-M1123 PolarHBondContact O-N 3.46Å |
| 1120 | H | 53.8 | Low | 59.7 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.9 | -44.6 | 176 | -166.8 | 67.3 | 0 | 0 | 0 | 111.8 | S1116 Q1117 M1123 N1124 | S1116-H1120 WeakPolarHBondContact O-CB 3.49Å; S1116-H1120 PolarHBondContact O-N 2.92Å; Q1117-H1120 PolarHBondContact O-N 3.46Å; Q1117-H1120 VanDerWaalsContact O-N 3.15Å; H1120-M1123 PolarHBondContact O-N 3.36Å; H1120-N1124 PolarHBondContact O-N 2.98Å |
| 1121 | D | 53.2 | Low | 58.6 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -35.4 | 174.6 | -72 | -22.4 | 0 | 0 | 0 | 111.1 | Q1117 N1124 T1125 | Q1117-D1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-D1121 PolarHBondContact O-N 3.34Å; D1121-N1124 PolarHBondContact O-N 3.27Å; D1121-T1125 VanDerWaalsContact O-CB 3.31Å; D1121-T1125 WeakPolarHBondContact O-CB 3.48Å; D1121-T1125 VanDerWaalsContact O-CG2 3.32Å; D1121-T1125 WeakPolarHBondContact O-CG2 3.44Å; D1121-T1125 PolarHBondContact O-N 2.98Å; D1121-T1125 PolarHBondContact O-OG1 3.05Å |
| 1122 | Q | 52.8 | Low | 57.9 | Low | 106 Ų | 106 | 100 Ų | 100 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -31.9 | 169.3 | -84.2 | -174.1 | -11.5 | 0 | 0 | 112 | C1118 T1125 S1126 | C1118-Q1122 WeakPolarHBondContact O-CA 3.24Å; C1118-Q1122 WeakPolarHBondContact O-CB 3.46Å; C1118-Q1122 WeakPolarHBondContact O-CG 3.41Å; C1118-Q1122 PolarHBondContact O-N 3.31Å; Q1122-T1125 WeakPolarHBondContact CA-OG1 3.3Å; Q1122-S1126 WeakPolarHBondContact O-CA 3.41Å; Q1122-S1126 WeakPolarHBondContact O-CB 3.21Å; Q1122-S1126 PolarHBondContact O-N 2.83Å |
| 1123 | M | 51.3 | Low | 57.1 | Low | 124 Ų | 124 | 97.3 Ų | 97.3 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.3 | -37.7 | 174.3 | -85.4 | -94.7 | 109.9 | 0 | 0 | 111.3 | H1119 H1120 S1127 | H1119-M1123 VanDerWaalsContact O-CB 3.25Å; H1119-M1123 WeakPolarHBondContact O-CB 3.36Å; H1119-M1123 WeakPolarHBondContact O-CG 3.48Å; H1119-M1123 PolarHBondContact O-N 3.46Å; H1120-M1123 PolarHBondContact O-N 3.36Å; M1123-S1127 PolarHBondContact O-N 3.37Å |
| 1124 | N | 53.2 | Low | 56.4 | Low | 95 Ų | 95 | 95.5 Ų | 95.5 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.8 | -42.8 | 176.5 | -76.1 | -29.5 | 0 | 0 | 0 | 112.3 | H1120 D1121 K1128 | H1120-N1124 PolarHBondContact O-N 2.98Å; D1121-N1124 PolarHBondContact O-N 3.27Å; N1124-K1128 PolarHBondContact O-N 2.88Å |
| 1125 | T | 53.8 | Low | 55.8 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.2 | -29.9 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | D1121 Q1122 K1128 L1129 | D1121-T1125 VanDerWaalsContact O-CB 3.31Å; D1121-T1125 WeakPolarHBondContact O-CB 3.48Å; D1121-T1125 VanDerWaalsContact O-CG2 3.32Å; D1121-T1125 WeakPolarHBondContact O-CG2 3.44Å; D1121-T1125 PolarHBondContact O-N 2.98Å; D1121-T1125 PolarHBondContact O-OG1 3.05Å; Q1122-T1125 WeakPolarHBondContact CA-OG1 3.3Å; T1125-K1128 CarbonylContact O-C 3.48Å; T1125-K1128 PolarHBondContact O-N 3.36Å; T1125-L1129 WeakPolarHBondContact O-CA 3.47Å; T1125-L1129 WeakPolarHBondContact O-CB 3.42Å; T1125-L1129 PolarHBondContact O-N 2.79Å |
| 1126 | S | 50.3 | Low | 55.6 | Low | 43 Ų | 43 | 96.4 Ų | 96.4 | 30% | 0.301 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 171.2 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | Q1122 K1128 L1129 T1130 | Q1122-S1126 WeakPolarHBondContact O-CA 3.41Å; Q1122-S1126 WeakPolarHBondContact O-CB 3.21Å; Q1122-S1126 PolarHBondContact O-N 2.83Å; S1126-K1128 VanDerWaalsContact C-N 3.25Å; S1126-K1128 PolarHBondContact O-N 2.9Å; S1126-L1129 CarbonylContact O-C 3.52Å; S1126-L1129 PolarHBondContact O-N 3.39Å; S1126-T1130 WeakPolarHBondContact O-CA 3.46Å; S1126-T1130 WeakPolarHBondContact O-CB 3.21Å; S1126-T1130 PolarHBondContact O-N 3.04Å; S1126-T1130 PolarHBondContact O-OG1 2.68Å; S1126-T1130 PolarHBondContact OG-OG1 2.83Å |
| 1127 | S | 52.3 | Low | 55.3 | Low | 77 Ų | 77 | 94.6 Ų | 94.6 | 54% | 0.538 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 171.8 | -88.6 | 0 | 0 | 0 | 0 | 110.6 | M1123 Q1131 | M1123-S1127 PolarHBondContact O-N 3.37Å; S1127-Q1131 WeakPolarHBondContact O-CB 3.46Å; S1127-Q1131 PolarHBondContact O-N 3.39Å |
| 1128 | K | 59.2 | Low | 54.9 | Low | 150 Ų | 150 | 94.4 Ų | 94.4 | 65% | 0.652 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -44.2 | 175.8 | -118.4 | 175.7 | -179.2 | 178.7 | 0 | 113.6 | N1124 T1125 S1126 Q1131 E1132 | N1124-K1128 PolarHBondContact O-N 2.88Å; T1125-K1128 CarbonylContact O-C 3.48Å; T1125-K1128 PolarHBondContact O-N 3.36Å; S1126-K1128 VanDerWaalsContact C-N 3.25Å; S1126-K1128 PolarHBondContact O-N 2.9Å; K1128-Q1131 PolarHBondContact O-N 3.38Å; K1128-E1132 WeakPolarHBondContact O-CB 3.35Å; K1128-E1132 WeakPolarHBondContact O-CG 3.32Å; K1128-E1132 PolarHBondContact O-N 3.48Å |
| 1129 | L | 52.5 | Low | 55 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | 178.1 | -95.3 | 153.6 | 0 | 0 | 0 | 110.9 | T1125 S1126 E1132 L1133 | T1125-L1129 WeakPolarHBondContact O-CA 3.47Å; T1125-L1129 WeakPolarHBondContact O-CB 3.42Å; T1125-L1129 PolarHBondContact O-N 2.79Å; S1126-L1129 CarbonylContact O-C 3.52Å; S1126-L1129 PolarHBondContact O-N 3.39Å; L1129-E1132 CarbonylContact O-C 3.49Å; L1129-E1132 PolarHBondContact O-N 2.89Å; L1129-L1133 WeakPolarHBondContact O-CA 3.34Å; L1129-L1133 WeakPolarHBondContact O-CB 3.2Å; L1129-L1133 WeakPolarHBondContact O-CD1 3.37Å; L1129-L1133 WeakPolarHBondContact O-CG 3.34Å; L1129-L1133 PolarHBondContact O-N 3.39Å |
| 1130 | T | 57.9 | Low | 54.9 | Low | 64 Ų | 64 | 96.3 Ų | 96.3 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.9 | -38.7 | 175.6 | -51.9 | 0 | 0 | 0 | 0 | 108.4 | S1126 L1133 I1134 | S1126-T1130 WeakPolarHBondContact O-CA 3.46Å; S1126-T1130 WeakPolarHBondContact O-CB 3.21Å; S1126-T1130 PolarHBondContact O-N 3.04Å; S1126-T1130 PolarHBondContact O-OG1 2.68Å; S1126-T1130 PolarHBondContact OG-OG1 2.83Å; T1130-L1133 PolarHBondContact O-N 2.92Å; T1130-I1134 HydrophobicContact CG2-CD1 4.09Å; T1130-I1134 VanDerWaalsContact O-CB 3.29Å; T1130-I1134 WeakPolarHBondContact O-CB 3.34Å; T1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.39Å; T1130-I1134 PolarHBondContact O-N 3.17Å |
| 1131 | Q | 59.4 | Low | 54.7 | Low | 133 Ų | 133 | 97.6 Ų | 97.6 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 171.6 | -136.5 | 127.6 | 31.1 | 0 | 0 | 112 | S1127 K1128 N1135 | S1127-Q1131 WeakPolarHBondContact O-CB 3.46Å; S1127-Q1131 PolarHBondContact O-N 3.39Å; K1128-Q1131 PolarHBondContact O-N 3.38Å; Q1131-N1135 WeakPolarHBondContact O-CB 3.34Å; Q1131-N1135 PolarHBondContact O-N 2.92Å; Q1131-N1135 PolarHBondContact O-ND2 2.89Å |
| 1132 | E | 60.5 | Low | 54.4 | Low | 107 Ų | 107 | 96.9 Ų | 96.9 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -33.8 | 174.1 | -76.8 | -178 | -172.6 | 0 | 0 | 112.4 | K1128 L1129 N1135 L1136 | K1128-E1132 WeakPolarHBondContact O-CB 3.35Å; K1128-E1132 WeakPolarHBondContact O-CG 3.32Å; K1128-E1132 PolarHBondContact O-N 3.48Å; L1129-E1132 CarbonylContact O-C 3.49Å; L1129-E1132 PolarHBondContact O-N 2.89Å; E1132-N1135 CarbonylContact O-C 3.59Å; E1132-N1135 PolarHBondContact O-N 3.4Å; E1132-L1136 VanDerWaalsContact O-CB 3.26Å; E1132-L1136 WeakPolarHBondContact O-CB 3.45Å; E1132-L1136 WeakPolarHBondContact O-CD1 3.15Å; E1132-L1136 PolarHBondContact O-N 3.44Å |
| 1133 | L | 58.7 | Low | 54.2 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.9 | -28.3 | 176 | -76.4 | 165.8 | 0 | 0 | 0 | 111.7 | L1129 T1130 G1137 | L1129-L1133 WeakPolarHBondContact O-CA 3.34Å; L1129-L1133 WeakPolarHBondContact O-CB 3.2Å; L1129-L1133 WeakPolarHBondContact O-CD1 3.37Å; L1129-L1133 WeakPolarHBondContact O-CG 3.34Å; L1129-L1133 PolarHBondContact O-N 3.39Å; T1130-L1133 PolarHBondContact O-N 2.92Å; L1133-G1137 VanDerWaalsContact O-CA 3.26Å; L1133-G1137 WeakPolarHBondContact O-CA 3.3Å; L1133-G1137 PolarHBondContact O-N 3.39Å |
| 1134 | I | 58.5 | Low | 54.6 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 166.8 | -72.3 | 162.9 | 0 | 0 | 0 | 108.6 | T1130 G1137 N1138 | T1130-I1134 HydrophobicContact CG2-CD1 4.09Å; T1130-I1134 VanDerWaalsContact O-CB 3.29Å; T1130-I1134 WeakPolarHBondContact O-CB 3.34Å; T1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.39Å; T1130-I1134 PolarHBondContact O-N 3.17Å; I1134-G1137 PolarHBondContact O-N 2.7Å; I1134-N1138 WeakPolarHBondContact O-CB 3.35Å; I1134-N1138 PolarHBondContact O-N 3.04Å; I1134-N1138 PolarHBondContact O-ND2 3.08Å |
| 1135 | N | 59.8 | Low | 54.5 | Low | 98 Ų | 98 | 103.1 Ų | 103.1 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 176.5 | -69.3 | -18.9 | 0 | 0 | 0 | 112.8 | Q1131 E1132 N1138 Q1139 | Q1131-N1135 WeakPolarHBondContact O-CB 3.34Å; Q1131-N1135 PolarHBondContact O-N 2.92Å; Q1131-N1135 PolarHBondContact O-ND2 2.89Å; E1132-N1135 CarbonylContact O-C 3.59Å; E1132-N1135 PolarHBondContact O-N 3.4Å; N1135-N1138 PolarHBondContact O-N 3.35Å; N1135-Q1139 PolarHBondContact O-N 2.94Å |
| 1136 | L | 55 | Low | 54.7 | Low | 85 Ų | 85 | 106 Ų | 106 | 45% | 0.445 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73 | -34.9 | 174.6 | -103.2 | 123.1 | 0 | 0 | 0 | 111.5 | E1132 N1138 Q1139 C1140 | E1132-L1136 VanDerWaalsContact O-CB 3.26Å; E1132-L1136 WeakPolarHBondContact O-CB 3.45Å; E1132-L1136 WeakPolarHBondContact O-CD1 3.15Å; E1132-L1136 PolarHBondContact O-N 3.44Å; L1136-N1138 VanDerWaalsContact C-N 3.31Å; L1136-Q1139 CarbonylContact O-C 3.6Å; L1136-Q1139 WeakPolarHBondContact O-CA 3.4Å; L1136-Q1139 PolarHBondContact O-N 3.46Å; L1136-C1140 WeakPolarHBondContact O-CB 3.38Å; L1136-C1140 PolarHBondContact O-N 3.43Å; L1136-C1140 PolarHBondContact O-SG 2.89Å |
| 1137 | G | 53.9 | Low | 55.4 | Low | 39 Ų | 39 | 108 Ų | 108 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.7 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | L1133 I1134 Q1139 C1140 | L1133-G1137 VanDerWaalsContact O-CA 3.26Å; L1133-G1137 WeakPolarHBondContact O-CA 3.3Å; L1133-G1137 PolarHBondContact O-N 3.39Å; I1134-G1137 PolarHBondContact O-N 2.7Å; G1137-Q1139 PolarHBondContact O-N 3.11Å; G1137-C1140 PolarHBondContact O-N 3.27Å |
| 1138 | N | 52.6 | Low | 56.2 | Low | 118 Ų | 118 | 108.2 Ų | 108.2 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.8 | -25.7 | 171.3 | -70.3 | -15.4 | 0 | 0 | 0 | 112.8 | I1134 N1135 L1136 | I1134-N1138 WeakPolarHBondContact O-CB 3.35Å; I1134-N1138 PolarHBondContact O-N 3.04Å; I1134-N1138 PolarHBondContact O-ND2 3.08Å; N1135-N1138 PolarHBondContact O-N 3.35Å; L1136-N1138 VanDerWaalsContact C-N 3.31Å |
| 1139 | Q | 53.1 | Low | 56.9 | Low | 165 Ų | 165 | 104.8 Ų | 104.8 | 77% | 0.771 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -92.5 | -13.1 | 172.3 | -78.4 | -173.6 | -2.7 | 0 | 0 | 114.9 | N1135 L1136 G1137 | N1135-Q1139 PolarHBondContact O-N 2.94Å; L1136-Q1139 CarbonylContact O-C 3.6Å; L1136-Q1139 WeakPolarHBondContact O-CA 3.4Å; L1136-Q1139 PolarHBondContact O-N 3.46Å; G1137-Q1139 PolarHBondContact O-N 3.11Å |
| 1140 | C | 51 | Low | 58 | Low | 59 Ų | 59 | 104.3 Ų | 104.3 | 40% | 0.399 | 53% | 0.533 | S | S | . | . | trans | -108.3 | 27.6 | -173.2 | -67.2 | 0 | 0 | 0 | 0 | 113 | L1136 G1137 G1142 R1144 | L1136-C1140 WeakPolarHBondContact O-CB 3.38Å; L1136-C1140 PolarHBondContact O-N 3.43Å; L1136-C1140 PolarHBondContact O-SG 2.89Å; G1137-C1140 PolarHBondContact O-N 3.27Å; C1140-G1142 PolarHBondContact O-N 3.32Å; C1140-R1144 PolarHBondContact SG-NH2 2.91Å | ||
| 1141 | K | 49.2 | Very low | 59 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -59.6 | 100.1 | 158.5 | -78.2 | -176.7 | 176.6 | 174.1 | 0 | 109 | D580 | D580-K1141 IonicContact OD2-NZ 2.8Å; D580-K1141 PolarHBondContact OD2-NZ 3.39Å |
| 1142 | G | 47.5 | Very low | 60 | Low | 69 Ų | 69 | 107.6 Ų | 107.6 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 103.5 | -38.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | C1140 | C1140-G1142 PolarHBondContact O-N 3.32Š|
| 1143 | E | 49.6 | Very low | 61.1 | Low | 153 Ų | 153 | 108.6 Ų | 108.6 | 72% | 0.715 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -98.4 | -9.5 | -156.2 | -64.9 | -149.2 | 156.9 | 0 | 0 | 118.9 | Y1146 | E1143-Y1146 WeakPolarHBondContact O-CD1 3.47Š|
| 1144 | R | 59.5 | Low | 62.4 | Low | 152 Ų | 152 | 109.2 Ų | 109.2 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -101 | -19 | -172.6 | -77.1 | -166.1 | -80.1 | -133.1 | -1.5 | 117.2 | C1140 Y1146 I1148 | C1140-R1144 PolarHBondContact SG-NH2 2.91Å; R1144-Y1146 PolarHBondContact O-N 3.32Å; R1144-I1148 HydrophobicContact CB-CD1 4.39Å; R1144-I1148 WeakPolarHBondContact O-CD1 3.48Å; R1144-I1148 WeakPolarHBondContact O-CG1 3.47Å; R1144-I1148 PolarHBondContact O-N 3.29Å; R1144-I1148 VanDerWaalsContact O-N 3.13Å |
| 1145 | H | 50.3 | Low | 63.9 | Low | 151 Ų | 151 | 107.3 Ų | 107.3 | 70% | 0.699 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.6 | -36.4 | -178.7 | -81.8 | -59.6 | 0 | 0 | 0 | 112.4 | I1149 | H1145-I1149 WeakPolarHBondContact O-CB 3.43Å; H1145-I1149 WeakPolarHBondContact O-CD1 3.29Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.25Å; H1145-I1149 PolarHBondContact O-N 2.96Å |
| 1146 | Y | 58.9 | Low | 65 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 178.3 | 100.7 | -92.1 | 0 | 0 | 0 | 111.6 | E1143 R1144 I1148 I1149 D1150 | E1143-Y1146 WeakPolarHBondContact O-CD1 3.47Å; R1144-Y1146 PolarHBondContact O-N 3.32Å; Y1146-I1148 PolarHBondContact O-N 3.44Å; Y1146-I1149 PolarHBondContact O-N 2.84Å; Y1146-D1150 WeakPolarHBondContact O-CB 3.34Å; Y1146-D1150 PolarHBondContact O-N 3.21Å |
| 1147 | E | 63.4 | Low | 66.4 | Low | 85 Ų | 85 | 106 Ų | 106 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 179.2 | -67.2 | -168.4 | 155.1 | 0 | 0 | 112.9 | D1150 K1151 | E1147-D1150 PolarHBondContact O-N 3.45Å; E1147-K1151 WeakPolarHBondContact O-CB 3.42Å; E1147-K1151 WeakPolarHBondContact O-CG 3.31Å; E1147-K1151 PolarHBondContact O-N 3.12Å |
| 1148 | I | 69.8 | Low | 68.1 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 41% | 0.41 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 176.9 | -66.4 | 165.9 | 0 | 0 | 0 | 109.8 | R1144 Y1146 D1150 K1151 Q1152 | R1144-I1148 HydrophobicContact CB-CD1 4.39Å; R1144-I1148 WeakPolarHBondContact O-CD1 3.48Å; R1144-I1148 WeakPolarHBondContact O-CG1 3.47Å; R1144-I1148 PolarHBondContact O-N 3.29Å; R1144-I1148 VanDerWaalsContact O-N 3.13Å; Y1146-I1148 PolarHBondContact O-N 3.44Å; I1148-D1150 VanDerWaalsContact C-N 3.3Å; I1148-D1150 PolarHBondContact O-N 2.76Å; I1148-K1151 PolarHBondContact O-N 2.86Å; I1148-Q1152 HydrophobicContact CG2-CG 4.42Å; I1148-Q1152 WeakPolarHBondContact O-CB 3.44Å; I1148-Q1152 VanDerWaalsContact O-CG 3.28Å; I1148-Q1152 WeakPolarHBondContact O-CG 3.32Å; I1148-Q1152 PolarHBondContact O-N 3.32Å |
| 1149 | I | 73.5 | Confident | 69.4 | Low | 79 Ų | 79 | 107.6 Ų | 107.6 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 176 | -70.6 | 166.7 | 0 | 0 | 0 | 110.2 | H1145 Y1146 Q1152 K1153 | H1145-I1149 WeakPolarHBondContact O-CB 3.43Å; H1145-I1149 WeakPolarHBondContact O-CD1 3.29Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.25Å; H1145-I1149 PolarHBondContact O-N 2.96Å; Y1146-I1149 PolarHBondContact O-N 2.84Å; I1149-Q1152 PolarHBondContact O-N 2.93Å; I1149-K1153 HydrophobicContact CG2-CD 3.97Å; I1149-K1153 VanDerWaalsContact CG2-CE 3.47Å; I1149-K1153 HydrophobicContact CG2-CG 4.35Å; I1149-K1153 WeakPolarHBondContact O-CB 3.47Å; I1149-K1153 VanDerWaalsContact O-CG 3.23Å; I1149-K1153 WeakPolarHBondContact O-CG 3.46Å; I1149-K1153 PolarHBondContact O-N 3.36Å |
| 1150 | D | 76.6 | Confident | 70.9 | Confident | 78 Ų | 78 | 106.9 Ų | 106.9 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 178.3 | -77.2 | -15.1 | 0 | 0 | 0 | 112.1 | Y1146 E1147 I1148 Q1152 K1153 E1154 | Y1146-D1150 WeakPolarHBondContact O-CB 3.34Å; Y1146-D1150 PolarHBondContact O-N 3.21Å; E1147-D1150 PolarHBondContact O-N 3.45Å; I1148-D1150 VanDerWaalsContact C-N 3.3Å; I1148-D1150 PolarHBondContact O-N 2.76Å; D1150-Q1152 VanDerWaalsContact C-N 3.34Å; D1150-Q1152 PolarHBondContact O-N 3.43Å; D1150-K1153 PolarHBondContact O-N 3.39Å; D1150-K1153 IonicContact OD1-NZ 3.57Å; D1150-E1154 VanDerWaalsContact O-CB 3.3Å; D1150-E1154 WeakPolarHBondContact O-CB 3.35Å; D1150-E1154 PolarHBondContact O-N 2.97Å |
| 1151 | K | 79.3 | Confident | 72.2 | Confident | 139 Ų | 139 | 108 Ų | 108 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 172.2 | -76.5 | 175 | -179.6 | 168.5 | 0 | 112.4 | E1147 I1148 E1154 A1155 | E1147-K1151 WeakPolarHBondContact O-CB 3.42Å; E1147-K1151 WeakPolarHBondContact O-CG 3.31Å; E1147-K1151 PolarHBondContact O-N 3.12Å; I1148-K1151 PolarHBondContact O-N 2.86Å; K1151-E1154 PolarHBondContact O-N 3.34Å; K1151-A1155 VanDerWaalsContact O-CB 3.32Å; K1151-A1155 WeakPolarHBondContact O-CB 3.49Å; K1151-A1155 PolarHBondContact O-N 3.05Å |
| 1152 | Q | 79.4 | Confident | 73.6 | Confident | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.6 | -41.1 | 175.6 | -75.3 | 177.6 | -9.9 | 0 | 0 | 111.6 | I1148 I1149 D1150 E1154 A1155 L1156 | I1148-Q1152 HydrophobicContact CG2-CG 4.42Å; I1148-Q1152 WeakPolarHBondContact O-CB 3.44Å; I1148-Q1152 VanDerWaalsContact O-CG 3.28Å; I1148-Q1152 WeakPolarHBondContact O-CG 3.32Å; I1148-Q1152 PolarHBondContact O-N 3.32Å; I1149-Q1152 PolarHBondContact O-N 2.93Å; D1150-Q1152 VanDerWaalsContact C-N 3.34Å; D1150-Q1152 PolarHBondContact O-N 3.43Å; Q1152-E1154 VanDerWaalsContact C-N 3.31Å; Q1152-E1154 PolarHBondContact O-N 3.49Å; Q1152-A1155 PolarHBondContact O-N 3.07Å; Q1152-L1156 VanDerWaalsContact O-CB 3.23Å; Q1152-L1156 WeakPolarHBondContact O-CB 3.46Å; Q1152-L1156 PolarHBondContact O-N 3.46Å |
| 1153 | K | 82.6 | Confident | 74.7 | Confident | 128 Ų | 128 | 109.3 Ų | 109.3 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -40.3 | 172.8 | -77.3 | 172.5 | -179.3 | 170.3 | 0 | 111.3 | I1149 D1150 L1156 S1157 | I1149-K1153 HydrophobicContact CG2-CD 3.97Å; I1149-K1153 VanDerWaalsContact CG2-CE 3.47Å; I1149-K1153 HydrophobicContact CG2-CG 4.35Å; I1149-K1153 WeakPolarHBondContact O-CB 3.47Å; I1149-K1153 VanDerWaalsContact O-CG 3.23Å; I1149-K1153 WeakPolarHBondContact O-CG 3.46Å; I1149-K1153 PolarHBondContact O-N 3.36Å; D1150-K1153 PolarHBondContact O-N 3.39Å; D1150-K1153 IonicContact OD1-NZ 3.57Å; K1153-L1156 PolarHBondContact O-N 3.48Å; K1153-S1157 VanDerWaalsContact O-CB 3.26Å; K1153-S1157 WeakPolarHBondContact O-CB 3.41Å; K1153-S1157 PolarHBondContact O-N 3.2Å |
| 1154 | E | 87.3 | Confident | 75.6 | Confident | 118 Ų | 118 | 108.3 Ų | 108.3 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.6 | -46.8 | 177.1 | -169.1 | 177 | 173.5 | 0 | 0 | 111.4 | D1150 K1151 Q1152 L1156 S1157 Q1158 | D1150-E1154 VanDerWaalsContact O-CB 3.3Å; D1150-E1154 WeakPolarHBondContact O-CB 3.35Å; D1150-E1154 PolarHBondContact O-N 2.97Å; K1151-E1154 PolarHBondContact O-N 3.34Å; Q1152-E1154 VanDerWaalsContact C-N 3.31Å; Q1152-E1154 PolarHBondContact O-N 3.49Å; E1154-L1156 VanDerWaalsContact C-N 3.32Å; E1154-L1156 PolarHBondContact O-N 2.82Å; E1154-S1157 CarbonylContact O-C 3.59Å; E1154-S1157 WeakPolarHBondContact O-CB 3.48Å; E1154-S1157 PolarHBondContact O-N 3.48Å; E1154-S1157 VanDerWaalsContact O-N 3.16Å; E1154-Q1158 WeakPolarHBondContact O-CG 3.48Å; E1154-Q1158 PolarHBondContact O-N 3.42Å |
| 1155 | A | 88.9 | Confident | 75.9 | Confident | 58 Ų | 58 | 104.9 Ų | 104.9 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1151 Q1152 Q1158 L1159 | K1151-A1155 VanDerWaalsContact O-CB 3.32Å; K1151-A1155 WeakPolarHBondContact O-CB 3.49Å; K1151-A1155 PolarHBondContact O-N 3.05Å; Q1152-A1155 PolarHBondContact O-N 3.07Å; A1155-Q1158 PolarHBondContact O-N 3Å; A1155-L1159 WeakPolarHBondContact O-CB 3.47Å; A1155-L1159 PolarHBondContact O-N 2.73Å |
| 1156 | L | 83 | Confident | 76.5 | Confident | 89 Ų | 89 | 103.6 Ų | 103.6 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -36 | 176 | -162.8 | 72.5 | 0 | 0 | 0 | 111.6 | Q1152 K1153 E1154 L1159 R1160 | Q1152-L1156 VanDerWaalsContact O-CB 3.23Å; Q1152-L1156 WeakPolarHBondContact O-CB 3.46Å; Q1152-L1156 PolarHBondContact O-N 3.46Å; K1153-L1156 PolarHBondContact O-N 3.48Å; E1154-L1156 VanDerWaalsContact C-N 3.32Å; E1154-L1156 PolarHBondContact O-N 2.82Å; L1156-L1159 PolarHBondContact O-N 2.84Å; L1156-R1160 WeakPolarHBondContact O-CB 3.34Å; L1156-R1160 WeakPolarHBondContact O-CG 3.38Å; L1156-R1160 PolarHBondContact O-N 3.47Å |
| 1157 | S | 85.5 | Confident | 75.8 | Confident | 66 Ų | 66 | 105 Ų | 105 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 172.8 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | K1153 E1154 L1159 R1160 Q1161 | K1153-S1157 VanDerWaalsContact O-CB 3.26Å; K1153-S1157 WeakPolarHBondContact O-CB 3.41Å; K1153-S1157 PolarHBondContact O-N 3.2Å; E1154-S1157 CarbonylContact O-C 3.59Å; E1154-S1157 WeakPolarHBondContact O-CB 3.48Å; E1154-S1157 PolarHBondContact O-N 3.48Å; E1154-S1157 VanDerWaalsContact O-N 3.16Å; S1157-L1159 PolarHBondContact O-N 3.13Å; S1157-R1160 PolarHBondContact O-N 3.29Å; S1157-Q1161 VanDerWaalsContact O-CB 3.31Å; S1157-Q1161 WeakPolarHBondContact O-CB 3.46Å; S1157-Q1161 PolarHBondContact O-N 3.45Å |
| 1158 | Q | 88.5 | Confident | 74.7 | Confident | 92 Ų | 92 | 107.6 Ų | 107.6 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 175.4 | -71.1 | -178.2 | 33 | 0 | 0 | 112.3 | E1154 A1155 Q1161 R1162 | E1154-Q1158 WeakPolarHBondContact O-CG 3.48Å; E1154-Q1158 PolarHBondContact O-N 3.42Å; A1155-Q1158 PolarHBondContact O-N 3Å; Q1158-Q1161 PolarHBondContact O-N 3.49Å; Q1158-R1162 WeakPolarHBondContact O-CB 3.28Å; Q1158-R1162 WeakPolarHBondContact O-CG 3.49Å; Q1158-R1162 PolarHBondContact O-N 3.46Å |
| 1159 | L | 81.4 | Confident | 73.3 | Confident | 99 Ų | 99 | 113.9 Ų | 113.9 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 174.9 | -175.5 | 67 | 0 | 0 | 0 | 111.2 | A1155 L1156 S1157 Q1161 R1162 L1163 | A1155-L1159 WeakPolarHBondContact O-CB 3.47Å; A1155-L1159 PolarHBondContact O-N 2.73Å; L1156-L1159 PolarHBondContact O-N 2.84Å; S1157-L1159 PolarHBondContact O-N 3.13Å; L1159-Q1161 VanDerWaalsContact C-N 3.28Å; L1159-Q1161 PolarHBondContact O-N 3.4Å; L1159-R1162 PolarHBondContact O-N 2.86Å; L1159-L1163 HydrophobicContact CG-CD1 4.5Å; L1159-L1163 WeakPolarHBondContact O-CB 3.33Å; L1159-L1163 PolarHBondContact O-N 3.34Å |
| 1160 | R | 83.2 | Confident | 71.6 | Confident | 149 Ų | 149 | 115.4 Ų | 115.4 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -36.6 | 173.9 | -74.5 | 171.8 | -177.1 | -111.8 | 2.8 | 111.6 | L1156 S1157 R1164 | L1156-R1160 WeakPolarHBondContact O-CB 3.34Å; L1156-R1160 WeakPolarHBondContact O-CG 3.38Å; L1156-R1160 PolarHBondContact O-N 3.47Å; S1157-R1160 PolarHBondContact O-N 3.29Å; R1160-R1164 WeakPolarHBondContact O-CB 3.42Å; R1160-R1164 WeakPolarHBondContact O-CG 3.46Å; R1160-R1164 PolarHBondContact O-N 2.7Å |
| 1161 | Q | 78.3 | Confident | 69.3 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 38% | 0.383 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -47.7 | 174.3 | -168.4 | 65.1 | 28.7 | 0 | 0 | 110.6 | S1157 Q1158 L1159 L1163 R1164 D1165 | S1157-Q1161 VanDerWaalsContact O-CB 3.31Å; S1157-Q1161 WeakPolarHBondContact O-CB 3.46Å; S1157-Q1161 PolarHBondContact O-N 3.45Å; Q1158-Q1161 PolarHBondContact O-N 3.49Å; L1159-Q1161 VanDerWaalsContact C-N 3.28Å; L1159-Q1161 PolarHBondContact O-N 3.4Å; Q1161-L1163 VanDerWaalsContact C-N 3.3Å; Q1161-L1163 PolarHBondContact O-N 2.91Å; Q1161-R1164 CarbonylContact O-C 3.56Å; Q1161-R1164 WeakPolarHBondContact O-CA 3.48Å; Q1161-R1164 WeakPolarHBondContact O-CB 3.47Å; Q1161-R1164 PolarHBondContact O-N 2.99Å; Q1161-D1165 PolarHBondContact NE2-OD1 2.99Å; Q1161-D1165 VanDerWaalsContact NE2-OD1 3.1Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.32Å; Q1161-D1165 PolarHBondContact O-N 2.83Å |
| 1162 | R | 78.4 | Confident | 67.2 | Low | 159 Ų | 159 | 117.7 Ų | 117.7 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.2 | -39.5 | 174.1 | -80.9 | -171.4 | 172.1 | 88.4 | -0.4 | 112.8 | Q1158 L1159 D1165 Q1166 | Q1158-R1162 WeakPolarHBondContact O-CB 3.28Å; Q1158-R1162 WeakPolarHBondContact O-CG 3.49Å; Q1158-R1162 PolarHBondContact O-N 3.46Å; L1159-R1162 PolarHBondContact O-N 2.86Å; R1162-D1165 PolarHBondContact O-N 2.91Å; R1162-Q1166 WeakPolarHBondContact O-CB 3.37Å; R1162-Q1166 PolarHBondContact O-N 3.27Å |
| 1163 | L | 70.5 | Confident | 65.1 | Low | 76 Ų | 76 | 121.3 Ų | 121.3 | 40% | 0.398 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.2 | -42.8 | 173.2 | -100 | 157.2 | 0 | 0 | 0 | 111.4 | L1159 Q1161 Q1166 Y1167 | L1159-L1163 HydrophobicContact CG-CD1 4.5Å; L1159-L1163 WeakPolarHBondContact O-CB 3.33Å; L1159-L1163 PolarHBondContact O-N 3.34Å; Q1161-L1163 VanDerWaalsContact C-N 3.3Å; Q1161-L1163 PolarHBondContact O-N 2.91Å; L1163-Q1166 PolarHBondContact O-N 2.87Å; L1163-Y1167 HydrophobicContact CD2-CD2 3.88Å; L1163-Y1167 HydrophobicContact CD2-CE2 3.73Å; L1163-Y1167 WeakPolarHBondContact O-CB 3.4Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.42Å; L1163-Y1167 PolarHBondContact O-N 3.47Å |
| 1164 | R | 70.4 | Confident | 62.7 | Low | 133 Ų | 133 | 118.4 Ų | 118.4 | 50% | 0.502 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -46.1 | 173.3 | -81.5 | -169.7 | -66.3 | -106.6 | 0.7 | 111.3 | R1160 Q1161 Q1166 Y1167 M1168 | R1160-R1164 WeakPolarHBondContact O-CB 3.42Å; R1160-R1164 WeakPolarHBondContact O-CG 3.46Å; R1160-R1164 PolarHBondContact O-N 2.7Å; Q1161-R1164 CarbonylContact O-C 3.56Å; Q1161-R1164 WeakPolarHBondContact O-CA 3.48Å; Q1161-R1164 WeakPolarHBondContact O-CB 3.47Å; Q1161-R1164 PolarHBondContact O-N 2.99Å; R1164-Q1166 VanDerWaalsContact C-N 3.3Å; R1164-Q1166 PolarHBondContact O-N 2.83Å; R1164-Y1167 PolarHBondContact O-N 3.17Å; R1164-M1168 WeakPolarHBondContact O-CB 3.28Å; R1164-M1168 PolarHBondContact O-N 2.97Å |
| 1165 | D | 64.1 | Low | 60.3 | Low | 79 Ų | 79 | 119.7 Ų | 119.7 | 42% | 0.422 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -38.6 | 179.2 | -60.7 | -19.3 | 0 | 0 | 0 | 110.4 | Q1161 R1162 Y1169 | Q1161-D1165 PolarHBondContact NE2-OD1 2.99Å; Q1161-D1165 VanDerWaalsContact NE2-OD1 3.1Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.32Å; Q1161-D1165 PolarHBondContact O-N 2.83Å; R1162-D1165 PolarHBondContact O-N 2.91Å; D1165-Y1169 PolarHBondContact O-N 2.89Å; D1165-Y1169 VanDerWaalsContact O-N 3.07Å |
| 1166 | Q | 63.6 | Low | 58.2 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -40 | 174.8 | -170.4 | 175.3 | 9 | 0 | 0 | 112.2 | R1162 L1163 R1164 I1170 | R1162-Q1166 WeakPolarHBondContact O-CB 3.37Å; R1162-Q1166 PolarHBondContact O-N 3.27Å; L1163-Q1166 PolarHBondContact O-N 2.87Å; R1164-Q1166 VanDerWaalsContact C-N 3.3Å; R1164-Q1166 PolarHBondContact O-N 2.83Å; Q1166-I1170 VanDerWaalsContact O-CD1 3.22Å; Q1166-I1170 WeakPolarHBondContact O-CD1 3.49Å; Q1166-I1170 VanDerWaalsContact O-CG1 3.25Å; Q1166-I1170 WeakPolarHBondContact O-CG1 3.43Å |
| 1167 | Y | 43.7 | Very low | 56.5 | Low | 164 Ų | 164 | 125.3 Ų | 125.3 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.6 | -29.3 | 177.1 | -91.8 | -84.5 | 0 | 0 | 0 | 113.4 | L1163 R1164 Y1169 I1170 | L1163-Y1167 HydrophobicContact CD2-CD2 3.88Å; L1163-Y1167 HydrophobicContact CD2-CE2 3.73Å; L1163-Y1167 WeakPolarHBondContact O-CB 3.4Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.42Å; L1163-Y1167 PolarHBondContact O-N 3.47Å; R1164-Y1167 PolarHBondContact O-N 3.17Å; Y1167-Y1169 VanDerWaalsContact C-N 3.27Å; Y1167-I1170 PolarHBondContact O-N 3.36Å; Y1167-I1170 VanDerWaalsContact O-N 3.09Å |
| 1168 | M | 39.7 | Very low | 54.4 | Low | 140 Ų | 140 | 127.2 Ų | 127.2 | 69% | 0.69 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.6 | -24.9 | 176 | -149.6 | -86.1 | 102.1 | 0 | 0 | 110.4 | R1164 I1170 | R1164-M1168 WeakPolarHBondContact O-CB 3.28Å; R1164-M1168 PolarHBondContact O-N 2.97Å; M1168-I1170 VanDerWaalsContact C-N 3.29Å; M1168-I1170 PolarHBondContact O-N 3.45Å |
| 1169 | Y | 40.6 | Very low | 52.1 | Low | 213 Ų | 213 | 128.8 Ų | 128.8 | 84% | 0.835 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -4.8 | 167 | -98.3 | -88.5 | 0 | 0 | 0 | 115 | D1165 Y1167 | D1165-Y1169 PolarHBondContact O-N 2.89Å; D1165-Y1169 VanDerWaalsContact O-N 3.07Å; Y1167-Y1169 VanDerWaalsContact C-N 3.27Å |
| 1170 | I | 38 | Very low | 50.8 | Low | 111 Ų | 111 | 130 Ų | 130 | 57% | 0.569 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 28.4 | -178.9 | -53.6 | 163.5 | 0 | 0 | 0 | 111.8 | Q1166 Y1167 M1168 | Q1166-I1170 VanDerWaalsContact O-CD1 3.22Å; Q1166-I1170 WeakPolarHBondContact O-CD1 3.49Å; Q1166-I1170 VanDerWaalsContact O-CG1 3.25Å; Q1166-I1170 WeakPolarHBondContact O-CG1 3.43Å; Y1167-I1170 PolarHBondContact O-N 3.36Å; Y1167-I1170 VanDerWaalsContact O-N 3.09Å; M1168-I1170 VanDerWaalsContact C-N 3.29Å; M1168-I1170 PolarHBondContact O-N 3.45Å |
| 1171 | L | 28.8 | Very low | 49.4 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -116.6 | 113.7 | 164 | -127.2 | 75.4 | 0 | 0 | 0 | 110.8 | K1173 | L1171-K1173 PolarHBondContact O-N 3.42Š|
| 1172 | P | 35.4 | Very low | 48.6 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | trans | -83.7 | 119 | -166.3 | 23 | -14.5 | 0 | 0 | 0 | 111.5 | ||||
| 1173 | K | 34.7 | Very low | 47.9 | Very low | 203 Ų | 203 | 126.6 Ų | 126.6 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | trans | -90.7 | 109.4 | 151.1 | -76.2 | -174.9 | 177.5 | 179.2 | 0 | 106.6 | L1171 N1175 | L1171-K1173 PolarHBondContact O-N 3.42Å; K1173-N1175 PolarHBondContact O-N 2.91Å | ||
| 1174 | G | 33.1 | Very low | 47.9 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | trans | -51.1 | 129.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1175 | N | 36.6 | Very low | 47.8 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 64% | 0.637 | S | S | * | * | trans | -155.7 | 105.8 | 152.8 | -84.2 | -26.8 | 0 | 0 | 0 | 105.6 | K1173 E1177 | K1173-N1175 PolarHBondContact O-N 2.91Å; N1175-E1177 PolarHBondContact O-N 2.94Å | ||
| 1176 | T | 45.1 | Very low | 48.2 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -9.3 | -14.5 | 172 | 50 | 0 | 0 | 0 | 0 | 122.5 | E1180 | T1176-E1180 PolarHBondContact O-N 2.93Š|
| 1177 | E | 45.8 | Very low | 49 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.9 | -27.7 | -177.3 | -74.1 | -177.7 | 165.5 | 0 | 0 | 113 | N1175 E1180 L1181 | N1175-E1177 PolarHBondContact O-N 2.94Å; E1177-E1180 PolarHBondContact O-N 3.04Å; E1177-L1181 PolarHBondContact O-N 3.28Å |
| 1178 | N | 41.6 | Very low | 50.7 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.4 | -32.2 | -178.5 | -143.6 | 20.6 | 0 | 0 | 0 | 112.3 | E1180 L1181 I1182 | N1178-E1180 VanDerWaalsContact C-N 3.3Å; N1178-L1181 PolarHBondContact O-N 3.44Å; N1178-I1182 WeakPolarHBondContact O-CB 3.4Å; N1178-I1182 VanDerWaalsContact O-CG1 3.28Å; N1178-I1182 WeakPolarHBondContact O-CG1 3.39Å; N1178-I1182 PolarHBondContact O-N 2.95Å |
| 1179 | D | 40.9 | Very low | 52.4 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -36.5 | 169.1 | -76.8 | -19.7 | 0 | 0 | 0 | 110.4 | I1182 L1183 | D1179-I1182 PolarHBondContact O-N 3.36Å; D1179-L1183 WeakPolarHBondContact O-CB 3.46Å; D1179-L1183 PolarHBondContact O-N 2.97Å |
| 1180 | E | 54.5 | Low | 54.2 | Low | 124 Ų | 124 | 117.7 Ų | 117.7 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -41.1 | 173.2 | -166.7 | 169.4 | -166.9 | 0 | 0 | 111.4 | T1176 E1177 N1178 L1183 Q1184 | T1176-E1180 PolarHBondContact O-N 2.93Å; E1177-E1180 PolarHBondContact O-N 3.04Å; N1178-E1180 VanDerWaalsContact C-N 3.3Å; E1180-L1183 CarbonylContact O-C 3.58Å; E1180-L1183 PolarHBondContact O-N 3.07Å; E1180-Q1184 WeakPolarHBondContact O-CA 3.29Å; E1180-Q1184 WeakPolarHBondContact O-CB 3.41Å; E1180-Q1184 PolarHBondContact O-N 3.39Å |
| 1181 | L | 52.4 | Low | 56.2 | Low | 100 Ų | 100 | 117 Ų | 117 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 175.1 | -80.7 | 167.5 | 0 | 0 | 0 | 113 | E1177 N1178 Q1184 I1185 | E1177-L1181 PolarHBondContact O-N 3.28Å; N1178-L1181 PolarHBondContact O-N 3.44Å; L1181-Q1184 PolarHBondContact O-N 2.92Å; L1181-I1185 WeakPolarHBondContact O-CB 3.39Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.43Å; L1181-I1185 PolarHBondContact O-N 3.36Å |
| 1182 | I | 61.4 | Low | 58.5 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.9 | -38.9 | 176.3 | -67 | 169.2 | 0 | 0 | 0 | 110.1 | N1178 D1179 Q1184 I1185 T1186 | N1178-I1182 WeakPolarHBondContact O-CB 3.4Å; N1178-I1182 VanDerWaalsContact O-CG1 3.28Å; N1178-I1182 WeakPolarHBondContact O-CG1 3.39Å; N1178-I1182 PolarHBondContact O-N 2.95Å; D1179-I1182 PolarHBondContact O-N 3.36Å; I1182-Q1184 VanDerWaalsContact C-N 3.34Å; I1182-I1185 PolarHBondContact O-N 3.4Å; I1182-T1186 VanDerWaalsContact O-CB 3.28Å; I1182-T1186 WeakPolarHBondContact O-CB 3.25Å; I1182-T1186 PolarHBondContact O-N 2.94Å; I1182-T1186 PolarHBondContact O-OG1 2.97Å |
| 1183 | L | 65.4 | Low | 60.4 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.7 | -36.2 | 174.1 | -158.5 | 77.7 | 0 | 0 | 0 | 110.9 | D1179 E1180 T1186 K1187 | D1179-L1183 WeakPolarHBondContact O-CB 3.46Å; D1179-L1183 PolarHBondContact O-N 2.97Å; E1180-L1183 CarbonylContact O-C 3.58Å; E1180-L1183 PolarHBondContact O-N 3.07Å; L1183-T1186 PolarHBondContact O-N 3.35Å; L1183-K1187 WeakPolarHBondContact O-CA 3.48Å; L1183-K1187 WeakPolarHBondContact O-CB 3.21Å; L1183-K1187 PolarHBondContact O-N 3.47Å |
| 1184 | Q | 69.9 | Low | 62.3 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -46.6 | 173.5 | -166.3 | 91.7 | 6.3 | 0 | 0 | 110.1 | E1180 L1181 I1182 T1186 K1187 L1188 | E1180-Q1184 WeakPolarHBondContact O-CA 3.29Å; E1180-Q1184 WeakPolarHBondContact O-CB 3.41Å; E1180-Q1184 PolarHBondContact O-N 3.39Å; L1181-Q1184 PolarHBondContact O-N 2.92Å; I1182-Q1184 VanDerWaalsContact C-N 3.34Å; Q1184-T1186 VanDerWaalsContact C-N 3.31Å; Q1184-T1186 PolarHBondContact O-N 2.88Å; Q1184-K1187 PolarHBondContact O-N 2.89Å; Q1184-L1188 HydrophobicContact CG-CD1 4.03Å; Q1184-L1188 HydrophobicContact CG-CG 4.45Å; Q1184-L1188 VanDerWaalsContact O-CB 3.23Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.29Å; Q1184-L1188 WeakPolarHBondContact O-CG 3.48Å; Q1184-L1188 PolarHBondContact O-N 3.05Å |
| 1185 | I | 68.3 | Low | 64.3 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.3 | -71.9 | 165.7 | 0 | 0 | 0 | 110.1 | L1181 I1182 K1189 | L1181-I1185 WeakPolarHBondContact O-CB 3.39Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.43Å; L1181-I1185 PolarHBondContact O-N 3.36Å; I1182-I1185 PolarHBondContact O-N 3.4Å; I1185-K1189 HydrophobicContact CG2-CD 4.13Å; I1185-K1189 HydrophobicContact CG2-CG 4.46Å; I1185-K1189 VanDerWaalsContact O-CB 3.24Å; I1185-K1189 WeakPolarHBondContact O-CB 3.29Å; I1185-K1189 WeakPolarHBondContact O-CG 3.37Å; I1185-K1189 PolarHBondContact O-N 2.69Å |
| 1186 | T | 73.2 | Confident | 66 | Low | 60 Ų | 60 | 109.6 Ų | 109.6 | 37% | 0.368 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 178.1 | -52 | 0 | 0 | 0 | 0 | 111.3 | I1182 L1183 Q1184 K1189 R1190 | I1182-T1186 VanDerWaalsContact O-CB 3.28Å; I1182-T1186 WeakPolarHBondContact O-CB 3.25Å; I1182-T1186 PolarHBondContact O-N 2.94Å; I1182-T1186 PolarHBondContact O-OG1 2.97Å; L1183-T1186 PolarHBondContact O-N 3.35Å; Q1184-T1186 VanDerWaalsContact C-N 3.31Å; Q1184-T1186 PolarHBondContact O-N 2.88Å; T1186-K1189 PolarHBondContact O-N 3.38Å; T1186-R1190 WeakPolarHBondContact O-CB 3.4Å; T1186-R1190 PolarHBondContact O-N 3.06Å |
| 1187 | K | 79.9 | Confident | 67 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 173.5 | -172.3 | -179.2 | 179.8 | -172.5 | 0 | 110.7 | L1183 Q1184 K1189 R1190 E1191 | L1183-K1187 WeakPolarHBondContact O-CA 3.48Å; L1183-K1187 WeakPolarHBondContact O-CB 3.21Å; L1183-K1187 PolarHBondContact O-N 3.47Å; Q1184-K1187 PolarHBondContact O-N 2.89Å; K1187-K1189 VanDerWaalsContact C-N 3.32Å; K1187-K1189 PolarHBondContact O-N 2.99Å; K1187-R1190 PolarHBondContact O-N 3.4Å; K1187-E1191 WeakPolarHBondContact O-CB 3.45Å; K1187-E1191 PolarHBondContact O-N 3.43Å |
| 1188 | L | 78.6 | Confident | 68.2 | Low | 81 Ų | 81 | 105.7 Ų | 105.7 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -33.8 | 174.6 | -72.7 | 171.4 | 0 | 0 | 0 | 112.1 | Q1184 N1192 | Q1184-L1188 HydrophobicContact CG-CD1 4.03Å; Q1184-L1188 HydrophobicContact CG-CG 4.45Å; Q1184-L1188 VanDerWaalsContact O-CB 3.23Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.29Å; Q1184-L1188 WeakPolarHBondContact O-CG 3.48Å; Q1184-L1188 PolarHBondContact O-N 3.05Å; L1188-N1192 WeakPolarHBondContact O-CB 3.44Å; L1188-N1192 PolarHBondContact O-N 2.79Å; L1188-N1192 PolarHBondContact O-ND2 3.48Å |
| 1189 | K | 77.1 | Confident | 69.6 | Low | 144 Ų | 144 | 104.6 Ų | 104.6 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.8 | -41.4 | 172.6 | -80.3 | 179.4 | 177.4 | -176.8 | 0 | 111.8 | I1185 T1186 K1187 A1193 | I1185-K1189 HydrophobicContact CG2-CD 4.13Å; I1185-K1189 HydrophobicContact CG2-CG 4.46Å; I1185-K1189 VanDerWaalsContact O-CB 3.24Å; I1185-K1189 WeakPolarHBondContact O-CB 3.29Å; I1185-K1189 WeakPolarHBondContact O-CG 3.37Å; I1185-K1189 PolarHBondContact O-N 2.69Å; T1186-K1189 PolarHBondContact O-N 3.38Å; K1187-K1189 VanDerWaalsContact C-N 3.32Å; K1187-K1189 PolarHBondContact O-N 2.99Å; K1189-A1193 WeakPolarHBondContact O-CB 3.43Å; K1189-A1193 PolarHBondContact O-N 3.31Å |
| 1190 | R | 77.8 | Confident | 70.4 | Confident | 154 Ų | 154 | 103.8 Ų | 103.8 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.4 | -44.5 | 175 | -171 | -175.8 | -59.6 | 114 | 0.8 | 111.2 | T1186 K1187 A1193 E1194 | T1186-R1190 WeakPolarHBondContact O-CB 3.4Å; T1186-R1190 PolarHBondContact O-N 3.06Å; K1187-R1190 PolarHBondContact O-N 3.4Å; R1190-A1193 PolarHBondContact O-N 2.83Å; R1190-E1194 VanDerWaalsContact O-CB 3.3Å; R1190-E1194 WeakPolarHBondContact O-CB 3.3Å; R1190-E1194 PolarHBondContact O-N 3.24Å |
| 1191 | E | 80.2 | Confident | 70.2 | Confident | 96 Ų | 96 | 102.9 Ų | 102.9 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 177.5 | -167.3 | 170.5 | -156 | 0 | 0 | 110.7 | K1187 E1194 L1195 | K1187-E1191 WeakPolarHBondContact O-CB 3.45Å; K1187-E1191 PolarHBondContact O-N 3.43Å; E1191-E1194 PolarHBondContact O-N 3.47Å; E1191-L1195 HydrophobicContact CG-CD1 4.32Å; E1191-L1195 VanDerWaalsContact O-CB 3.25Å; E1191-L1195 WeakPolarHBondContact O-CB 3.32Å; E1191-L1195 WeakPolarHBondContact O-CG 3.4Å; E1191-L1195 PolarHBondContact O-N 2.88Å |
| 1192 | N | 75.8 | Confident | 70.7 | Confident | 88 Ų | 88 | 101.3 Ų | 101.3 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 170.7 | -89.2 | -59.8 | 0 | 0 | 0 | 113.1 | L1188 R1196 | L1188-N1192 WeakPolarHBondContact O-CB 3.44Å; L1188-N1192 PolarHBondContact O-N 2.79Å; L1188-N1192 PolarHBondContact O-ND2 3.48Å; N1192-R1196 WeakPolarHBondContact O-CB 3.39Å; N1192-R1196 VanDerWaalsContact O-CG 3.24Å; N1192-R1196 WeakPolarHBondContact O-CG 3.22Å; N1192-R1196 PolarHBondContact O-N 2.92Å |
| 1193 | A | 76.2 | Confident | 70.4 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1189 R1190 R1196 S1197 | K1189-A1193 WeakPolarHBondContact O-CB 3.43Å; K1189-A1193 PolarHBondContact O-N 3.31Å; R1190-A1193 PolarHBondContact O-N 2.83Å; A1193-R1196 PolarHBondContact O-N 3.48Å; A1193-S1197 VanDerWaalsContact O-CB 3.28Å; A1193-S1197 WeakPolarHBondContact O-CB 3.37Å; A1193-S1197 PolarHBondContact O-N 2.92Å |
| 1194 | E | 75.1 | Confident | 69.5 | Low | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 176.8 | -163.9 | -177.6 | 160.4 | 0 | 0 | 111.4 | R1190 E1191 S1197 K1198 | R1190-E1194 VanDerWaalsContact O-CB 3.3Å; R1190-E1194 WeakPolarHBondContact O-CB 3.3Å; R1190-E1194 PolarHBondContact O-N 3.24Å; E1191-E1194 PolarHBondContact O-N 3.47Å; E1194-S1197 PolarHBondContact O-N 3.39Å; E1194-K1198 HydrophobicContact CG-CD 4.36Å; E1194-K1198 VanDerWaalsContact O-CB 3.28Å; E1194-K1198 WeakPolarHBondContact O-CB 3.27Å; E1194-K1198 VanDerWaalsContact O-CG 3.31Å; E1194-K1198 WeakPolarHBondContact O-CG 3.32Å; E1194-K1198 PolarHBondContact O-N 3.04Å; E1194-K1198 WeakPolarHBondContact OE1-CE 3.26Å; E1194-K1198 IonicContact OE1-NZ 2.7Å; E1194-K1198 PolarHBondContact OE1-NZ 3.49Å |
| 1195 | L | 74.2 | Confident | 68.4 | Low | 93 Ų | 93 | 97.2 Ų | 97.2 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 170.8 | -75.3 | 170.4 | 0 | 0 | 0 | 110.2 | E1191 S1197 K1198 T1199 | E1191-L1195 HydrophobicContact CG-CD1 4.32Å; E1191-L1195 VanDerWaalsContact O-CB 3.25Å; E1191-L1195 WeakPolarHBondContact O-CB 3.32Å; E1191-L1195 WeakPolarHBondContact O-CG 3.4Å; E1191-L1195 PolarHBondContact O-N 2.88Å; L1195-S1197 VanDerWaalsContact C-N 3.31Å; L1195-S1197 PolarHBondContact O-N 3.17Å; L1195-K1198 PolarHBondContact O-N 2.99Å; L1195-T1199 WeakPolarHBondContact O-CB 3.46Å; L1195-T1199 PolarHBondContact O-N 2.87Å; L1195-T1199 PolarHBondContact O-OG1 3.29Å |
| 1196 | R | 72.2 | Confident | 67.4 | Low | 189 Ų | 189 | 96.7 Ų | 96.7 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -40.8 | 174.8 | -76.1 | 177.5 | -179 | -170.2 | -0.2 | 112.7 | N1192 A1193 L1200 | N1192-R1196 WeakPolarHBondContact O-CB 3.39Å; N1192-R1196 VanDerWaalsContact O-CG 3.24Å; N1192-R1196 WeakPolarHBondContact O-CG 3.22Å; N1192-R1196 PolarHBondContact O-N 2.92Å; A1193-R1196 PolarHBondContact O-N 3.48Å; R1196-L1200 WeakPolarHBondContact O-CB 3.28Å; R1196-L1200 PolarHBondContact O-N 3.5Å |
| 1197 | S | 67.3 | Low | 65.9 | Low | 61 Ų | 61 | 96.2 Ų | 96.2 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | A1193 E1194 L1195 L1200 L1201 | A1193-S1197 VanDerWaalsContact O-CB 3.28Å; A1193-S1197 WeakPolarHBondContact O-CB 3.37Å; A1193-S1197 PolarHBondContact O-N 2.92Å; E1194-S1197 PolarHBondContact O-N 3.39Å; L1195-S1197 VanDerWaalsContact C-N 3.31Å; L1195-S1197 PolarHBondContact O-N 3.17Å; S1197-L1200 PolarHBondContact O-N 2.88Å; S1197-L1201 WeakPolarHBondContact O-CB 3.39Å; S1197-L1201 WeakPolarHBondContact O-CG 3.29Å; S1197-L1201 PolarHBondContact O-N 3.38Å |
| 1198 | K | 70 | Confident | 64.1 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 176 | -77.8 | 177.7 | -177.1 | 165.8 | 0 | 111.8 | E1194 L1195 L1201 A1202 | E1194-K1198 HydrophobicContact CG-CD 4.36Å; E1194-K1198 VanDerWaalsContact O-CB 3.28Å; E1194-K1198 WeakPolarHBondContact O-CB 3.27Å; E1194-K1198 VanDerWaalsContact O-CG 3.31Å; E1194-K1198 WeakPolarHBondContact O-CG 3.32Å; E1194-K1198 PolarHBondContact O-N 3.04Å; E1194-K1198 WeakPolarHBondContact OE1-CE 3.26Å; E1194-K1198 IonicContact OE1-NZ 2.7Å; E1194-K1198 PolarHBondContact OE1-NZ 3.49Å; L1195-K1198 PolarHBondContact O-N 2.99Å; K1198-L1201 PolarHBondContact O-N 3.18Å; K1198-A1202 WeakPolarHBondContact O-CB 3.44Å; K1198-A1202 PolarHBondContact O-N 3.47Å |
| 1199 | T | 71.6 | Confident | 62.3 | Low | 84 Ų | 84 | 99.1 Ų | 99.1 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 174 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | L1195 L1201 A1202 E1203 | L1195-T1199 WeakPolarHBondContact O-CB 3.46Å; L1195-T1199 PolarHBondContact O-N 2.87Å; L1195-T1199 PolarHBondContact O-OG1 3.29Å; T1199-L1201 PolarHBondContact O-N 2.72Å; T1199-A1202 PolarHBondContact O-N 2.99Å; T1199-E1203 VanDerWaalsContact O-CB 3.29Å; T1199-E1203 WeakPolarHBondContact O-CB 3.4Å; T1199-E1203 PolarHBondContact O-N 3.25Å |
| 1200 | L | 57.6 | Low | 60.6 | Low | 107 Ų | 107 | 95.5 Ų | 95.5 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -41.9 | 174.9 | -110.2 | 157.3 | 0 | 0 | 0 | 112.5 | R1196 S1197 E1203 V1204 | R1196-L1200 WeakPolarHBondContact O-CB 3.28Å; R1196-L1200 PolarHBondContact O-N 3.5Å; S1197-L1200 PolarHBondContact O-N 2.88Å; L1200-E1203 PolarHBondContact O-N 2.9Å; L1200-V1204 HydrophobicContact CD2-CG2 4.23Å; L1200-V1204 WeakPolarHBondContact O-CB 3.48Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.42Å; L1200-V1204 PolarHBondContact O-N 3Å |
| 1201 | L | 50.5 | Low | 58.7 | Low | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 176.6 | -74.4 | 169.4 | 0 | 0 | 0 | 112.1 | S1197 K1198 T1199 E1203 V1205 | S1197-L1201 WeakPolarHBondContact O-CB 3.39Å; S1197-L1201 WeakPolarHBondContact O-CG 3.29Å; S1197-L1201 PolarHBondContact O-N 3.38Å; K1198-L1201 PolarHBondContact O-N 3.18Å; T1199-L1201 PolarHBondContact O-N 2.72Å; L1201-E1203 VanDerWaalsContact C-N 3.27Å; L1201-E1203 PolarHBondContact O-N 3.48Å; L1201-V1205 VanDerWaalsContact O-CB 3.23Å; L1201-V1205 WeakPolarHBondContact O-CB 3.47Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.33Å; L1201-V1205 PolarHBondContact O-N 3.44Å |
| 1202 | A | 61.7 | Low | 56.6 | Low | 67 Ų | 67 | 95.6 Ų | 95.6 | 55% | 0.554 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.5 | -24.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1198 T1199 P1206 | K1198-A1202 WeakPolarHBondContact O-CB 3.44Å; K1198-A1202 PolarHBondContact O-N 3.47Å; T1199-A1202 PolarHBondContact O-N 2.99Å; A1202-P1206 WeakPolarHBondContact O-CD 3.5Å; A1202-P1206 WeakPolarHBondContact O-CG 3.46Å |
| 1203 | E | 55.5 | Low | 54.6 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -85.7 | -38.9 | 176.7 | -161.1 | 177.1 | -171.2 | 0 | 0 | 111.6 | T1199 L1200 L1201 S1207 | T1199-E1203 VanDerWaalsContact O-CB 3.29Å; T1199-E1203 WeakPolarHBondContact O-CB 3.4Å; T1199-E1203 PolarHBondContact O-N 3.25Å; L1200-E1203 PolarHBondContact O-N 2.9Å; L1201-E1203 VanDerWaalsContact C-N 3.27Å; L1201-E1203 PolarHBondContact O-N 3.48Å; E1203-S1207 PolarHBondContact O-OG 2.99Å |
| 1204 | V | 46.3 | Very low | 52.5 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 41% | 0.412 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -80.1 | -34.1 | -177.7 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | L1200 S1207 I1208 | L1200-V1204 HydrophobicContact CD2-CG2 4.23Å; L1200-V1204 WeakPolarHBondContact O-CB 3.48Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.42Å; L1200-V1204 PolarHBondContact O-N 3Å; V1204-S1207 PolarHBondContact O-N 3.16Å; V1204-I1208 HydrophobicContact CG1-CD1 3.93Å; V1204-I1208 HydrophobicContact CG1-CG1 4.46Å; V1204-I1208 WeakPolarHBondContact O-CG1 3.5Å; V1204-I1208 PolarHBondContact O-N 3.46Å |
| 1205 | V | 48.1 | Very low | 50.5 | Low | 88 Ų | 88 | 102.7 Ų | 102.7 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.5 | -42.8 | -175.1 | 172.1 | 0 | 0 | 0 | 0 | 113.4 | L1201 S1207 I1208 K1209 | L1201-V1205 VanDerWaalsContact O-CB 3.23Å; L1201-V1205 WeakPolarHBondContact O-CB 3.47Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.33Å; L1201-V1205 PolarHBondContact O-N 3.44Å; V1205-S1207 VanDerWaalsContact C-N 3.34Å; V1205-I1208 PolarHBondContact O-N 3.32Å; V1205-K1209 PolarHBondContact O-N 2.94Å |
| 1206 | P | 46.6 | Very low | 48.2 | Very low | 75 Ų | 75 | 104.2 Ų | 104.2 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.7 | -34.7 | 173.1 | -21.8 | 34.9 | 0 | 0 | 0 | 112.6 | A1202 I1208 K1209 A1210 | A1202-P1206 WeakPolarHBondContact O-CD 3.5Å; A1202-P1206 WeakPolarHBondContact O-CG 3.46Å; P1206-I1208 VanDerWaalsContact C-N 3.3Å; P1206-I1208 PolarHBondContact O-N 3.35Å; P1206-K1209 PolarHBondContact O-N 3.47Å; P1206-K1209 VanDerWaalsContact O-N 3.12Å; P1206-A1210 WeakPolarHBondContact O-CB 3.34Å; P1206-A1210 PolarHBondContact O-N 3.35Å |
| 1207 | S | 41.9 | Very low | 46.3 | Very low | 51 Ų | 51 | 103 Ų | 103 | 36% | 0.357 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -32.7 | 179.2 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | E1203 V1204 V1205 | E1203-S1207 PolarHBondContact O-OG 2.99Å; V1204-S1207 PolarHBondContact O-N 3.16Å; V1205-S1207 VanDerWaalsContact C-N 3.34Å |
| 1208 | I | 41.9 | Very low | 44.5 | Very low | 104 Ų | 104 | 106.5 Ų | 106.5 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -75.8 | -34.4 | 173.6 | -64 | 171.8 | 0 | 0 | 0 | 111.4 | V1204 V1205 P1206 L1211 | V1204-I1208 HydrophobicContact CG1-CD1 3.93Å; V1204-I1208 HydrophobicContact CG1-CG1 4.46Å; V1204-I1208 WeakPolarHBondContact O-CG1 3.5Å; V1204-I1208 PolarHBondContact O-N 3.46Å; V1205-I1208 PolarHBondContact O-N 3.32Å; P1206-I1208 VanDerWaalsContact C-N 3.3Å; P1206-I1208 PolarHBondContact O-N 3.35Å; I1208-L1211 PolarHBondContact O-N 3.37Å |
| 1209 | K | 40.6 | Very low | 42.6 | Very low | 161 Ų | 161 | 108.9 Ų | 108.9 | 70% | 0.7 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76 | -30 | -179.3 | -140.5 | 173.8 | -174.2 | -179.5 | 0 | 112.7 | V1205 P1206 L1211 T1212 | V1205-K1209 PolarHBondContact O-N 2.94Å; P1206-K1209 PolarHBondContact O-N 3.47Å; P1206-K1209 VanDerWaalsContact O-N 3.12Å; K1209-L1211 VanDerWaalsContact C-N 3.34Å; K1209-T1212 PolarHBondContact O-N 2.89Å; K1209-T1212 PolarHBondContact O-OG1 3.49Å |
| 1210 | A | 41.3 | Very low | 40.5 | Very low | 69 Ų | 69 | 110.6 Ų | 110.6 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.8 | -28.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1206 T1212 | P1206-A1210 WeakPolarHBondContact O-CB 3.34Å; P1206-A1210 PolarHBondContact O-N 3.35Å; A1210-T1212 PolarHBondContact O-N 2.89Å |
| 1211 | L | 37.7 | Very low | 39.3 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -18 | 177.7 | -117.7 | 89.2 | 0 | 0 | 0 | 113.8 | I1208 K1209 | I1208-L1211 PolarHBondContact O-N 3.37Å; K1209-L1211 VanDerWaalsContact C-N 3.34Å |
| 1212 | T | 35.9 | Very low | 38.4 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 66% | 0.656 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -14.5 | -175.2 | 21.8 | 0 | 0 | 0 | 0 | 115.4 | K1209 A1210 | K1209-T1212 PolarHBondContact O-N 2.89Å; K1209-T1212 PolarHBondContact O-OG1 3.49Å; A1210-T1212 PolarHBondContact O-N 2.89Å |
| 1213 | N | 33.7 | Very low | 36.9 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -6.6 | -167.6 | -73.4 | 4.2 | 0 | 0 | 0 | 117.4 | ||
| 1214 | N | 33.2 | Very low | 36 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | -126.4 | 29.6 | -172.2 | -69.2 | -11.1 | 0 | 0 | 0 | 115.9 | T1216 | N1214-T1216 VanDerWaalsContact C-N 3.25Å; N1214-T1216 PolarHBondContact O-N 3.01Å; N1214-T1216 VanDerWaalsContact O-N 3.1Å | ||
| 1215 | S | 32 | Very low | 35.3 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -82.2 | 66.9 | 165.1 | -86.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1216 | T | 26.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | trans | -159.3 | 84.8 | 154.4 | -48.7 | 0 | 0 | 0 | 0 | 107.8 | N1214 | N1214-T1216 VanDerWaalsContact C-N 3.25Å; N1214-T1216 PolarHBondContact O-N 3.01Å; N1214-T1216 VanDerWaalsContact O-N 3.1Å | ||
| 1217 | L | 32.1 | Very low | 34.1 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -126.6 | 109.6 | 163.2 | -78.2 | 179.8 | 0 | 0 | 0 | 110.5 | ||||
| 1218 | V | 30.6 | Very low | 33.8 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -46.9 | 129.9 | 162.6 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1219 | L | 29.8 | Very low | 33.5 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -111.3 | 95 | 176 | -177.2 | 84.2 | 0 | 0 | 0 | 106.7 | ||||
| 1220 | D | 27.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 140 Ų | 140 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | trans | -177.7 | 148.4 | 135.8 | -137.7 | -20.5 | 0 | 0 | 0 | 112 | ||||
| 1221 | H | 31 | Very low | 33 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | 70.1 | 105.2 | 162 | -52.7 | -24.7 | 0 | 0 | 0 | 118.5 | ||||
| 1222 | I | 32.4 | Very low | 32.8 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | -160.4 | 110.3 | 122.3 | -86.4 | 139.6 | 0 | 0 | 0 | 106.6 | N1224 | I1222-N1224 HydrophobicContact CG2-CB 4.28Š| |||
| 1223 | K | 29.5 | Very low | 32.9 | Very low | 205 Ų | 205 | 142.8 Ų | 142.8 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -87.8 | 120.8 | 154 | -73.1 | 179.1 | 174.9 | -177.2 | 0 | 105.5 | ||||
| 1224 | N | 36.1 | Very low | 32.9 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -140.8 | 109.2 | 157.6 | -85.9 | -25.1 | 0 | 0 | 0 | 106.8 | I1222 | I1222-N1224 HydrophobicContact CG2-CB 4.28Š| ||
| 1225 | D | 31.5 | Very low | 33.1 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -60.9 | 145.3 | 159.3 | -78.7 | -42.2 | 0 | 0 | 0 | 109.5 | ||||
| 1226 | G | 35.6 | Very low | 33.6 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 171.9 | 77.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1227 | D | 35.8 | Very low | 34.1 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 18.2 | 121.8 | 148.4 | -57.3 | -28.4 | 0 | 0 | 0 | 120.2 | ||||
| 1228 | D | 33.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | 36.4 | 105.7 | 127.2 | -59.2 | -26.1 | 0 | 0 | 0 | 118.9 | |||||
| 1229 | D | 37.2 | Very low | 35.6 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | -174.7 | 139.6 | 114.5 | -93.4 | -32.1 | 0 | 0 | 0 | 111.7 | |||||
| 1230 | D | 32.9 | Very low | 36.2 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -74.2 | -172.6 | -167.6 | -155.8 | 29.3 | 0 | 0 | 0 | 113 | ||||
| 1231 | P | 37.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | -120 | -176.4 | -91.5 | 36.5 | -20.5 | 0 | 0 | 0 | 113.4 | |||||
| 1232 | M | 33.4 | Very low | 38.7 | Very low | 157 Ų | 157 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 118 | 142.8 | 134.6 | -153.2 | 57.8 | 168.6 | 0 | 0 | 115.2 | ||||
| 1233 | T | 38 | Very low | 40.7 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 72.7 | 93.5 | 176.5 | 41.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1234 | D | 34.2 | Very low | 42.7 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | S | Bend | 166.3 | 30.7 | 107.9 | -146.8 | 13.4 | 0 | 0 | 0 | 115.2 | |||
| 1235 | Q | 37.3 | Very low | 44.3 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -128.4 | 45.7 | -174.9 | -132.6 | 166.7 | 35.8 | 0 | 0 | 114.7 | ||||
| 1236 | I | 42.1 | Very low | 46.6 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | -98 | -11.5 | 175 | -64.5 | 179.6 | 0 | 0 | 0 | 112.9 | S1238 | I1236-S1238 PolarHBondContact O-N 3.33Š| ||
| 1237 | L | 36.8 | Very low | 48.6 | Very low | 178 Ų | 178 | 132 Ų | 132 | 93% | 0.932 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 1.2 | -177.9 | -146.2 | 71.1 | 0 | 0 | 0 | 115.8 | ||
| 1238 | S | 48.9 | Very low | 50.6 | Low | 76 Ų | 76 | 127.4 Ų | 127.4 | 53% | 0.531 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112 | -0.7 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 114.5 | I1236 H1242 | I1236-S1238 PolarHBondContact O-N 3.33Å; S1238-H1242 PolarHBondContact O-CD2 3.1Å |
| 1239 | K | 45.6 | Very low | 52.8 | Low | 157 Ų | 157 | 125.2 Ų | 125.2 | 68% | 0.683 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -93.2 | -14.8 | -176.7 | -73.9 | -174.1 | 178.3 | 178.1 | 0 | 114.2 | ||
| 1240 | M | 44.1 | Very low | 54.8 | Low | 164 Ų | 164 | 120.4 Ų | 120.4 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.2 | -23.2 | -175.6 | -159 | 146.4 | -177.8 | 0 | 0 | 113.6 | ||
| 1241 | D | 52.3 | Low | 57.1 | Low | 101 Ų | 101 | 116 Ų | 116 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -90.4 | -20.3 | -176.9 | -64.1 | -10.5 | 0 | 0 | 0 | 113.5 | L1245 | D1241-L1245 WeakPolarHBondContact O-CB 3.28Å; D1241-L1245 PolarHBondContact O-N 3.41Å |
| 1242 | H | 57.2 | Low | 59.2 | Low | 128 Ų | 128 | 117 Ų | 117 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71 | -32.3 | 176.5 | -70.4 | -54.7 | 0 | 0 | 0 | 112.8 | S1238 R1246 | S1238-H1242 PolarHBondContact O-CD2 3.1Å; H1242-R1246 WeakPolarHBondContact O-CB 3.31Å; H1242-R1246 PolarHBondContact O-N 3.49Å |
| 1243 | I | 74.7 | Confident | 61.5 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 56% | 0.564 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.8 | -43.2 | 178 | -63.7 | 168.5 | 0 | 0 | 0 | 110.3 | R1246 N1247 | I1243-R1246 PolarHBondContact O-N 2.88Å; I1243-N1247 WeakPolarHBondContact O-CB 3.38Å; I1243-N1247 PolarHBondContact O-N 3.33Å; I1243-N1247 PolarHBondContact O-ND2 3.5Å; I1243-N1247 PolarHBondContact O-OD1 3.32Å |
| 1244 | G | 72.8 | Confident | 63.8 | Low | 32 Ų | 32 | 112.7 Ų | 112.7 | 33% | 0.33 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.8 | -48.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1246 N1247 A1248 | G1244-R1246 PolarHBondContact O-N 3.09Å; G1244-N1247 PolarHBondContact O-N 3.03Å; G1244-A1248 WeakPolarHBondContact O-CB 3.45Å; G1244-A1248 PolarHBondContact O-N 2.86Å |
| 1245 | L | 69.7 | Low | 66.1 | Low | 100 Ų | 100 | 108 Ų | 108 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 177.8 | -156 | 82.3 | 0 | 0 | 0 | 112.2 | D1241 A1248 M1249 | D1241-L1245 WeakPolarHBondContact O-CB 3.28Å; D1241-L1245 PolarHBondContact O-N 3.41Å; L1245-A1248 PolarHBondContact O-N 3.33Å; L1245-M1249 WeakPolarHBondContact O-CB 3.27Å; L1245-M1249 PolarHBondContact O-N 3.39Å |
| 1246 | R | 79.6 | Confident | 68.4 | Low | 160 Ų | 160 | 101 Ų | 101 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.9 | -48.3 | 174.3 | 172.4 | 62.5 | 84.2 | 139.9 | 7.4 | 111.1 | H1242 I1243 G1244 A1248 M1249 D1250 | H1242-R1246 WeakPolarHBondContact O-CB 3.31Å; H1242-R1246 PolarHBondContact O-N 3.49Å; I1243-R1246 PolarHBondContact O-N 2.88Å; G1244-R1246 PolarHBondContact O-N 3.09Å; R1246-A1248 PolarHBondContact O-N 2.95Å; R1246-M1249 PolarHBondContact O-N 3.4Å; R1246-D1250 WeakPolarHBondContact CD-OD2 3.31Å; R1246-D1250 WeakPolarHBondContact O-CB 3.23Å; R1246-D1250 VanDerWaalsContact O-CG 3.26Å; R1246-D1250 PolarHBondContact O-N 3.02Å |
| 1247 | N | 77.3 | Confident | 70.6 | Confident | 98 Ų | 98 | 98 Ų | 98 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 179.7 | -70 | -12 | 0 | 0 | 0 | 111.9 | I1243 G1244 D1250 A1251 | I1243-N1247 WeakPolarHBondContact O-CB 3.38Å; I1243-N1247 PolarHBondContact O-N 3.33Å; I1243-N1247 PolarHBondContact O-ND2 3.5Å; I1243-N1247 PolarHBondContact O-OD1 3.32Å; G1244-N1247 PolarHBondContact O-N 3.03Å; N1247-D1250 PolarHBondContact O-N 3.41Å; N1247-A1251 VanDerWaalsContact O-CB 3.25Å; N1247-A1251 WeakPolarHBondContact O-CB 3.4Å; N1247-A1251 PolarHBondContact O-N 3.33Å |
| 1248 | A | 77.9 | Confident | 73.1 | Confident | 53 Ų | 53 | 93.4 Ų | 93.4 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1244 L1245 R1246 A1251 L1252 | G1244-A1248 WeakPolarHBondContact O-CB 3.45Å; G1244-A1248 PolarHBondContact O-N 2.86Å; L1245-A1248 PolarHBondContact O-N 3.33Å; R1246-A1248 PolarHBondContact O-N 2.95Å; A1248-A1251 PolarHBondContact O-N 2.83Å; A1248-L1252 WeakPolarHBondContact O-CB 3.47Å; A1248-L1252 VanDerWaalsContact O-CG 3.3Å; A1248-L1252 WeakPolarHBondContact O-CG 3.45Å; A1248-L1252 PolarHBondContact O-N 3.37Å |
| 1249 | M | 79.5 | Confident | 74.9 | Confident | 96 Ų | 96 | 92.7 Ų | 92.7 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.1 | -173.1 | 65.9 | -178.3 | 0 | 0 | 111.8 | L1245 R1246 L1252 Y1253 I1282 | L1245-M1249 WeakPolarHBondContact O-CB 3.27Å; L1245-M1249 PolarHBondContact O-N 3.39Å; R1246-M1249 PolarHBondContact O-N 3.4Å; M1249-L1252 PolarHBondContact O-N 2.94Å; M1249-Y1253 WeakPolarHBondContact O-CB 3.35Å; M1249-Y1253 PolarHBondContact O-N 3.5Å; M1249-I1282 HydrophobicContact CE-CG2 4.25Å |
| 1250 | D | 79.5 | Confident | 76.9 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 177.9 | -67.9 | -14.6 | 0 | 0 | 0 | 111.2 | R1246 N1247 Y1253 T1254 | R1246-D1250 WeakPolarHBondContact CD-OD2 3.31Å; R1246-D1250 WeakPolarHBondContact O-CB 3.23Å; R1246-D1250 VanDerWaalsContact O-CG 3.26Å; R1246-D1250 PolarHBondContact O-N 3.02Å; N1247-D1250 PolarHBondContact O-N 3.41Å; D1250-Y1253 PolarHBondContact O-N 3.21Å; D1250-T1254 WeakPolarHBondContact O-CB 3.46Å; D1250-T1254 WeakPolarHBondContact O-CG2 3.45Å; D1250-T1254 PolarHBondContact O-N 3.15Å; D1250-T1254 PolarHBondContact O-OG1 2.84Å |
| 1251 | A | 80.7 | Confident | 79 | Confident | 55 Ų | 55 | 81.8 Ų | 81.8 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1247 A1248 T1254 S1255 | N1247-A1251 VanDerWaalsContact O-CB 3.25Å; N1247-A1251 WeakPolarHBondContact O-CB 3.4Å; N1247-A1251 PolarHBondContact O-N 3.33Å; A1248-A1251 PolarHBondContact O-N 2.83Å; A1251-T1254 WeakPolarHBondContact CA-OG1 3.38Å; A1251-T1254 PolarHBondContact O-OG1 3.45Å; A1251-S1255 VanDerWaalsContact O-CB 3.29Å; A1251-S1255 WeakPolarHBondContact O-CB 3.46Å; A1251-S1255 PolarHBondContact O-N 2.97Å; A1251-S1255 PolarHBondContact O-OG 3.41Å |
| 1252 | L | 81 | Confident | 80.7 | Confident | 113 Ų | 113 | 82 Ų | 82 | 59% | 0.592 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 174.3 | -73.7 | 172.4 | 0 | 0 | 0 | 111.2 | A1248 M1249 S1255 E1256 | A1248-L1252 WeakPolarHBondContact O-CB 3.47Å; A1248-L1252 VanDerWaalsContact O-CG 3.3Å; A1248-L1252 WeakPolarHBondContact O-CG 3.45Å; A1248-L1252 PolarHBondContact O-N 3.37Å; M1249-L1252 PolarHBondContact O-N 2.94Å; L1252-S1255 PolarHBondContact O-N 3.3Å; L1252-S1255 PolarHBondContact O-OG 2.96Å; L1252-E1256 WeakPolarHBondContact O-CB 3.46Å; L1252-E1256 PolarHBondContact O-N 3.38Å |
| 1253 | Y | 82.7 | Confident | 82.2 | Confident | 123 Ų | 123 | 76.3 Ų | 76.3 | 48% | 0.482 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.3 | -52.3 | 176.4 | -177.9 | -88.7 | 0 | 0 | 0 | 111.6 | M1249 D1250 S1255 E1256 E1257 I1282 | M1249-Y1253 WeakPolarHBondContact O-CB 3.35Å; M1249-Y1253 PolarHBondContact O-N 3.5Å; D1250-Y1253 PolarHBondContact O-N 3.21Å; Y1253-S1255 PolarHBondContact O-N 2.93Å; Y1253-E1256 PolarHBondContact O-N 2.98Å; Y1253-E1257 VanDerWaalsContact CE1-OE2 3.26Å; Y1253-E1257 WeakPolarHBondContact CE1-OE2 3.31Å; Y1253-E1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-E1257 PolarHBondContact O-N 3.17Å; Y1253-I1282 HydrophobicContact CD2-CD1 3.58Å; Y1253-I1282 HydrophobicContact CE2-CD1 4.27Å; Y1253-I1282 HydrophobicContact CG-CD1 4.47Å |
| 1254 | T | 85.4 | Confident | 82.7 | Confident | 73 Ų | 73 | 76 Ų | 76 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.5 | 48.6 | 0 | 0 | 0 | 0 | 112 | D1250 A1251 E1256 E1257 C1258 | D1250-T1254 WeakPolarHBondContact O-CB 3.46Å; D1250-T1254 WeakPolarHBondContact O-CG2 3.45Å; D1250-T1254 PolarHBondContact O-N 3.15Å; D1250-T1254 PolarHBondContact O-OG1 2.84Å; A1251-T1254 WeakPolarHBondContact CA-OG1 3.38Å; A1251-T1254 PolarHBondContact O-OG1 3.45Å; T1254-E1256 VanDerWaalsContact C-N 3.35Å; T1254-E1256 PolarHBondContact O-N 3.07Å; T1254-E1257 PolarHBondContact O-N 2.78Å; T1254-C1258 WeakPolarHBondContact O-CB 3.22Å; T1254-C1258 PolarHBondContact O-N 3.05Å; T1254-C1258 PolarHBondContact O-SG 2.94Å |
| 1255 | S | 83.3 | Confident | 83.4 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 47% | 0.469 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 176 | 76.1 | 0 | 0 | 0 | 0 | 112.9 | A1251 L1252 Y1253 Y1259 | A1251-S1255 VanDerWaalsContact O-CB 3.29Å; A1251-S1255 WeakPolarHBondContact O-CB 3.46Å; A1251-S1255 PolarHBondContact O-N 2.97Å; A1251-S1255 PolarHBondContact O-OG 3.41Å; L1252-S1255 PolarHBondContact O-N 3.3Å; L1252-S1255 PolarHBondContact O-OG 2.96Å; Y1253-S1255 PolarHBondContact O-N 2.93Å; S1255-Y1259 PolarHBondContact O-N 3.31Å |
| 1256 | E | 86.3 | Confident | 84.3 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.7 | -42.3 | 177.7 | 173.6 | 155.5 | -118.8 | 0 | 0 | 111.7 | L1252 Y1253 T1254 C1258 Y1259 L1260 S1280 L1281 I1282 R1296 | L1252-E1256 WeakPolarHBondContact O-CB 3.46Å; L1252-E1256 PolarHBondContact O-N 3.38Å; Y1253-E1256 PolarHBondContact O-N 2.98Å; T1254-E1256 VanDerWaalsContact C-N 3.35Å; T1254-E1256 PolarHBondContact O-N 3.07Å; E1256-C1258 VanDerWaalsContact C-N 3.31Å; E1256-C1258 PolarHBondContact O-N 3.4Å; E1256-Y1259 PolarHBondContact O-N 2.83Å; E1256-L1260 HydrophobicContact CG-CD1 4.09Å; E1256-L1260 HydrophobicContact CG-CG 4.4Å; E1256-L1260 WeakPolarHBondContact O-CG 3.4Å; E1256-L1260 PolarHBondContact O-N 3.34Å; E1256-S1280 WeakPolarHBondContact OE1-CA 3.44Å; E1256-S1280 WeakPolarHBondContact OE2-CA 3.29Å; E1256-S1280 WeakPolarHBondContact OE2-CB 3.49Å; E1256-S1280 PolarHBondContact OE2-OG 3.34Å; E1256-L1281 VanDerWaalsContact CD-N 3.31Å; E1256-L1281 WeakPolarHBondContact OE1-CB 3.45Å; E1256-L1281 PolarHBondContact OE1-N 2.84Å; E1256-L1281 PolarHBondContact OE2-N 2.99Å; E1256-L1281 VanDerWaalsContact OE2-N 3.17Å; E1256-I1282 WeakPolarHBondContact OE2-CG1 3.47Å; E1256-R1296 IonicContact OE1-CZ 3.43Å; E1256-R1296 IonicContact OE1-NH1 2.68Å; E1256-R1296 IonicContact OE1-NH2 2.83Å; E1256-R1296 PolarHBondContact OE1-NH2 2.89Å |
| 1257 | E | 86.5 | Confident | 84.6 | Confident | 87 Ų | 87 | 67.8 Ų | 67.8 | 41% | 0.407 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.5 | -174.8 | 169.7 | -165.6 | 0 | 0 | 111.1 | Y1253 T1254 L1260 N1261 | Y1253-E1257 VanDerWaalsContact CE1-OE2 3.26Å; Y1253-E1257 WeakPolarHBondContact CE1-OE2 3.31Å; Y1253-E1257 WeakPolarHBondContact O-CB 3.43Å; Y1253-E1257 PolarHBondContact O-N 3.17Å; T1254-E1257 PolarHBondContact O-N 2.78Å; E1257-L1260 PolarHBondContact O-N 3.35Å; E1257-N1261 VanDerWaalsContact O-CB 3.32Å; E1257-N1261 WeakPolarHBondContact O-CB 3.48Å; E1257-N1261 PolarHBondContact O-N 3.29Å; E1257-N1261 PolarHBondContact O-ND2 2.93Å |
| 1258 | C | 89.7 | Confident | 85 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 173.4 | -75 | 0 | 0 | 0 | 0 | 112.6 | T1254 E1256 N1261 L1262 | T1254-C1258 WeakPolarHBondContact O-CB 3.22Å; T1254-C1258 PolarHBondContact O-N 3.05Å; T1254-C1258 PolarHBondContact O-SG 2.94Å; E1256-C1258 VanDerWaalsContact C-N 3.31Å; E1256-C1258 PolarHBondContact O-N 3.4Å; C1258-N1261 PolarHBondContact O-N 3.47Å; C1258-L1262 WeakPolarHBondContact O-CB 3.47Å; C1258-L1262 PolarHBondContact O-N 3.3Å |
| 1259 | Y | 87.4 | Confident | 85.4 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.1 | 170.6 | -94.1 | 0 | 0 | 0 | 111.7 | S1255 E1256 N1261 L1262 V1263 R1296 | S1255-Y1259 PolarHBondContact O-N 3.31Å; E1256-Y1259 PolarHBondContact O-N 2.83Å; Y1259-N1261 VanDerWaalsContact C-N 3.34Å; Y1259-N1261 PolarHBondContact O-N 2.93Å; Y1259-L1262 PolarHBondContact O-N 3.47Å; Y1259-V1263 HydrophobicContact CD1-CG2 4.38Å; Y1259-V1263 HydrophobicContact CD2-CG2 4.3Å; Y1259-V1263 HydrophobicContact CE1-CG2 3.89Å; Y1259-V1263 HydrophobicContact CE2-CG2 3.82Å; Y1259-V1263 WeakPolarHBondContact O-CG2 3.23Å; Y1259-V1263 PolarHBondContact O-N 2.98Å; Y1259-R1296 HydrophobicContact CE1-CG 4.19Å; Y1259-R1296 WeakPolarHBondContact OH-CG 3.48Å |
| 1260 | L | 86.8 | Confident | 85.6 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 180 | -68.4 | 174.8 | 0 | 0 | 0 | 111.6 | E1256 E1257 R1264 Q1278 | E1256-L1260 HydrophobicContact CG-CD1 4.09Å; E1256-L1260 HydrophobicContact CG-CG 4.4Å; E1256-L1260 WeakPolarHBondContact O-CG 3.4Å; E1256-L1260 PolarHBondContact O-N 3.34Å; E1257-L1260 PolarHBondContact O-N 3.35Å; L1260-R1264 WeakPolarHBondContact O-CB 3.34Å; L1260-R1264 VanDerWaalsContact O-CG 3.25Å; L1260-R1264 WeakPolarHBondContact O-CG 3.33Å; L1260-R1264 PolarHBondContact O-N 3.38Å; L1260-Q1278 HydrophobicContact CD2-CB 4.39Å |
| 1261 | N | 88.2 | Confident | 85.8 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.2 | -72.5 | -17.6 | 0 | 0 | 0 | 111.7 | E1257 C1258 Y1259 R1264 S1265 | E1257-N1261 VanDerWaalsContact O-CB 3.32Å; E1257-N1261 WeakPolarHBondContact O-CB 3.48Å; E1257-N1261 PolarHBondContact O-N 3.29Å; E1257-N1261 PolarHBondContact O-ND2 2.93Å; C1258-N1261 PolarHBondContact O-N 3.47Å; Y1259-N1261 VanDerWaalsContact C-N 3.34Å; Y1259-N1261 PolarHBondContact O-N 2.93Å; N1261-R1264 PolarHBondContact O-N 3.34Å; N1261-R1264 PolarHBondContact OD1-NH1 3.3Å; N1261-S1265 VanDerWaalsContact O-CB 3.32Å; N1261-S1265 WeakPolarHBondContact O-CB 3.36Å; N1261-S1265 PolarHBondContact O-N 3.46Å |
| 1262 | L | 88.6 | Confident | 85.8 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 55% | 0.55 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 174.9 | 179 | 64.2 | 0 | 0 | 0 | 111.3 | C1258 Y1259 R1264 S1265 I1266 | C1258-L1262 WeakPolarHBondContact O-CB 3.47Å; C1258-L1262 PolarHBondContact O-N 3.3Å; Y1259-L1262 PolarHBondContact O-N 3.47Å; L1262-R1264 PolarHBondContact O-N 3.02Å; L1262-S1265 PolarHBondContact O-N 3.43Å; L1262-I1266 HydrophobicContact CD1-CD1 3.93Å; L1262-I1266 HydrophobicContact CD1-CG1 4.31Å; L1262-I1266 HydrophobicContact CG-CD1 3.93Å; L1262-I1266 WeakPolarHBondContact O-CG1 3.4Å; L1262-I1266 PolarHBondContact O-N 2.97Å |
| 1263 | V | 87.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 179 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | Y1259 I1266 S1267 L1275 Q1278 T1299 | Y1259-V1263 HydrophobicContact CD1-CG2 4.38Å; Y1259-V1263 HydrophobicContact CD2-CG2 4.3Å; Y1259-V1263 HydrophobicContact CE1-CG2 3.89Å; Y1259-V1263 HydrophobicContact CE2-CG2 3.82Å; Y1259-V1263 WeakPolarHBondContact O-CG2 3.23Å; Y1259-V1263 PolarHBondContact O-N 2.98Å; V1263-I1266 PolarHBondContact O-N 2.83Å; V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.44Å; V1263-S1267 PolarHBondContact O-N 2.91Å; V1263-L1275 HydrophobicContact CG1-CD1 3.95Å; V1263-Q1278 HydrophobicContact CG1-CG 4.31Å; V1263-T1299 HydrophobicContact CG1-CG2 4.44Å |
| 1264 | R | 86.3 | Confident | 85.4 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 174.1 | -76.1 | 179.2 | -155.4 | 116.7 | 0.4 | 111.1 | L1260 N1261 L1262 I1266 S1267 T1268 | L1260-R1264 WeakPolarHBondContact O-CB 3.34Å; L1260-R1264 VanDerWaalsContact O-CG 3.25Å; L1260-R1264 WeakPolarHBondContact O-CG 3.33Å; L1260-R1264 PolarHBondContact O-N 3.38Å; N1261-R1264 PolarHBondContact O-N 3.34Å; N1261-R1264 PolarHBondContact OD1-NH1 3.3Å; L1262-R1264 PolarHBondContact O-N 3.02Å; R1264-I1266 PolarHBondContact O-N 3.48Å; R1264-S1267 WeakPolarHBondContact O-CB 3.2Å; R1264-S1267 PolarHBondContact O-N 2.97Å; R1264-T1268 VanDerWaalsContact O-CG2 3.28Å; R1264-T1268 WeakPolarHBondContact O-CG2 3.48Å; R1264-T1268 PolarHBondContact O-N 3.44Å; R1264-T1268 PolarHBondContact O-OG1 3.13Å; R1264-T1268 VanDerWaalsContact O-OG1 3.11Å |
| 1265 | S | 88.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 42% | 0.42 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 178.1 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | N1261 L1262 S1267 T1268 R1269 | N1261-S1265 VanDerWaalsContact O-CB 3.32Å; N1261-S1265 WeakPolarHBondContact O-CB 3.36Å; N1261-S1265 PolarHBondContact O-N 3.46Å; L1262-S1265 PolarHBondContact O-N 3.43Å; S1265-S1267 PolarHBondContact O-N 2.89Å; S1265-T1268 WeakPolarHBondContact CA-OG1 3.45Å; S1265-T1268 PolarHBondContact O-N 2.94Å; S1265-T1268 PolarHBondContact O-OG1 3.1Å; S1265-R1269 WeakPolarHBondContact O-CB 3.36Å; S1265-R1269 VanDerWaalsContact O-CG 3.22Å; S1265-R1269 WeakPolarHBondContact O-CG 3.24Å; S1265-R1269 PolarHBondContact O-N 3.04Å |
| 1266 | I | 86.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 76.7 Ų | 76.7 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 177.6 | -65.1 | 169.2 | 0 | 0 | 0 | 110.8 | L1262 V1263 R1264 T1268 R1269 L1270 L1303 | L1262-I1266 HydrophobicContact CD1-CD1 3.93Å; L1262-I1266 HydrophobicContact CD1-CG1 4.31Å; L1262-I1266 HydrophobicContact CG-CD1 3.93Å; L1262-I1266 WeakPolarHBondContact O-CG1 3.4Å; L1262-I1266 PolarHBondContact O-N 2.97Å; V1263-I1266 PolarHBondContact O-N 2.83Å; R1264-I1266 PolarHBondContact O-N 3.48Å; I1266-T1268 VanDerWaalsContact C-N 3.33Å; I1266-T1268 PolarHBondContact O-N 3.14Å; I1266-R1269 PolarHBondContact O-N 2.97Å; I1266-R1269 VanDerWaalsContact O-N 3.16Å; I1266-L1270 HydrophobicContact CG2-CD1 3.6Å; I1266-L1270 HydrophobicContact CG2-CG 4.15Å; I1266-L1270 WeakPolarHBondContact O-CB 3.47Å; I1266-L1270 WeakPolarHBondContact O-CG 3.35Å; I1266-L1270 PolarHBondContact O-N 3.01Å; I1266-L1303 HydrophobicContact CG2-CD1 4.15Å; I1266-L1303 HydrophobicContact CG2-CD2 3.63Å; I1266-L1303 HydrophobicContact CG2-CG 4.49Å |
| 1267 | S | 85.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 76 Ų | 76 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.6 | -47.7 | 176.7 | -156.3 | 0 | 0 | 0 | 0 | 111.2 | V1263 R1264 S1265 R1269 L1270 D1271 L1272 D1273 | V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.44Å; V1263-S1267 PolarHBondContact O-N 2.91Å; R1264-S1267 WeakPolarHBondContact O-CB 3.2Å; R1264-S1267 PolarHBondContact O-N 2.97Å; S1265-S1267 PolarHBondContact O-N 2.89Å; S1267-R1269 VanDerWaalsContact C-N 3.34Å; S1267-R1269 PolarHBondContact O-N 3.2Å; S1267-L1270 PolarHBondContact O-N 3.49Å; S1267-D1271 PolarHBondContact O-N 3.33Å; S1267-L1272 PolarHBondContact O-N 3.38Å; S1267-L1272 PolarHBondContact OG-O 3.42Å; S1267-D1273 PolarHBondContact OG-O 2.84Å; S1267-D1273 VanDerWaalsContact OG-O 3.1Å |
| 1268 | T | 86 | Confident | 84.5 | Confident | 95 Ų | 95 | 73 Ų | 73 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.9 | -27.9 | 179.4 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | R1264 S1265 I1266 | R1264-T1268 VanDerWaalsContact O-CG2 3.28Å; R1264-T1268 WeakPolarHBondContact O-CG2 3.48Å; R1264-T1268 PolarHBondContact O-N 3.44Å; R1264-T1268 PolarHBondContact O-OG1 3.13Å; R1264-T1268 VanDerWaalsContact O-OG1 3.11Å; S1265-T1268 WeakPolarHBondContact CA-OG1 3.45Å; S1265-T1268 PolarHBondContact O-N 2.94Å; S1265-T1268 PolarHBondContact O-OG1 3.1Å; I1266-T1268 VanDerWaalsContact C-N 3.33Å; I1266-T1268 PolarHBondContact O-N 3.14Å |
| 1269 | R | 87.2 | Confident | 84.1 | Confident | 204 Ų | 204 | 76.1 Ų | 76.1 | 77% | 0.77 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -86.3 | -22.5 | 179.3 | -67.2 | -64.1 | -176.8 | -167.2 | -0.9 | 113.2 | S1265 I1266 S1267 | S1265-R1269 WeakPolarHBondContact O-CB 3.36Å; S1265-R1269 VanDerWaalsContact O-CG 3.22Å; S1265-R1269 WeakPolarHBondContact O-CG 3.24Å; S1265-R1269 PolarHBondContact O-N 3.04Å; I1266-R1269 PolarHBondContact O-N 2.97Å; I1266-R1269 VanDerWaalsContact O-N 3.16Å; S1267-R1269 VanDerWaalsContact C-N 3.34Å; S1267-R1269 PolarHBondContact O-N 3.2Å |
| 1270 | L | 84.3 | Confident | 83.6 | Confident | 29 Ų | 29 | 74.5 Ų | 74.5 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.5 | 177.2 | -63.6 | -177.8 | 0 | 0 | 0 | 113 | I1266 S1267 L1272 L1303 I1307 L1310 | I1266-L1270 HydrophobicContact CG2-CD1 3.6Å; I1266-L1270 HydrophobicContact CG2-CG 4.15Å; I1266-L1270 WeakPolarHBondContact O-CB 3.47Å; I1266-L1270 WeakPolarHBondContact O-CG 3.35Å; I1266-L1270 PolarHBondContact O-N 3.01Å; S1267-L1270 PolarHBondContact O-N 3.49Å; L1270-L1272 HydrophobicContact CB-CD1 4.23Å; L1270-L1272 HydrophobicContact CB-CG 4.12Å; L1270-L1272 PolarHBondContact O-N 3.23Å; L1270-L1303 HydrophobicContact CD1-CD2 3.78Å; L1270-I1307 HydrophobicContact CD1-CG1 4.17Å; L1270-L1310 HydrophobicContact CD2-CD1 3.54Å |
| 1271 | D | 82.6 | Confident | 82.9 | Confident | 144 Ų | 144 | 76.7 Ų | 76.7 | 77% | 0.77 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41 | -175.3 | -57.7 | -36.3 | 0 | 0 | 0 | 113 | S1267 | S1267-D1271 PolarHBondContact O-N 3.33Š|
| 1272 | L | 80.8 | Confident | 81.9 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | trans | -97.5 | 132.8 | 173.2 | -61.8 | 176.1 | 0 | 0 | 0 | 109.6 | S1267 L1270 L1275 L1303 R1306 | S1267-L1272 PolarHBondContact O-N 3.38Å; S1267-L1272 PolarHBondContact OG-O 3.42Å; L1270-L1272 HydrophobicContact CB-CD1 4.23Å; L1270-L1272 HydrophobicContact CB-CG 4.12Å; L1270-L1272 PolarHBondContact O-N 3.23Å; L1272-L1275 HydrophobicContact CB-CD2 4.33Å; L1272-L1275 HydrophobicContact CD1-CD2 4.26Å; L1272-L1303 HydrophobicContact CD1-CD2 3.51Å; L1272-R1306 HydrophobicContact CD1-CG 4.46Å | ||
| 1273 | D | 79.8 | Confident | 80.7 | Confident | 153 Ų | 153 | 79.7 Ų | 79.7 | 82% | 0.818 | 39% | 0.385 | S | S | * | . | trans | -58.6 | -179.9 | 170.3 | -76.2 | -35.5 | 0 | 0 | 0 | 112 | S1267 L1275 | S1267-D1273 PolarHBondContact OG-O 2.84Å; S1267-D1273 VanDerWaalsContact OG-O 3.1Å; D1273-L1275 PolarHBondContact O-N 2.89Å | ||
| 1274 | R | 76.5 | Confident | 79.8 | Confident | 194 Ų | 194 | 79.7 Ų | 79.7 | 73% | 0.732 | 39% | 0.385 | S | S | * | . | trans | -53 | 105 | -179.3 | -166.4 | -178.9 | -129 | -84.9 | 2.2 | 112.1 | ||||
| 1275 | L | 82.2 | Confident | 79.3 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | trans | -67.6 | 142.5 | 177.2 | -62.9 | 164.8 | 0 | 0 | 0 | 111.2 | V1263 L1272 D1273 Q1278 T1299 L1302 L1303 | V1263-L1275 HydrophobicContact CG1-CD1 3.95Å; L1272-L1275 HydrophobicContact CB-CD2 4.33Å; L1272-L1275 HydrophobicContact CD1-CD2 4.26Å; D1273-L1275 PolarHBondContact O-N 2.89Å; L1275-Q1278 VanDerWaalsContact O-CG 3.25Å; L1275-Q1278 WeakPolarHBondContact O-CG 3.25Å; L1275-T1299 HydrophobicContact CB-CG2 3.64Å; L1275-T1299 HydrophobicContact CD1-CG2 3.66Å; L1275-T1299 HydrophobicContact CD2-CG2 4.16Å; L1275-T1299 HydrophobicContact CG-CG2 4Å; L1275-L1302 HydrophobicContact CD2-CD2 3.82Å; L1275-L1303 HydrophobicContact CD1-CD1 4.15Å; L1275-L1303 HydrophobicContact CD1-CD2 4Å; L1275-L1303 HydrophobicContact CD1-CG 4.19Å | ||
| 1276 | P | 80.2 | Confident | 78.3 | Confident | 65 Ų | 65 | 83 Ų | 83 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 159.6 | 175.1 | 25.4 | -30.9 | 0 | 0 | 0 | 111.6 | Q1278 E1295 T1299 | P1276-Q1278 VanDerWaalsContact C-N 3.3Å; P1276-Q1278 PolarHBondContact O-N 2.94Å; P1276-E1295 HydrophobicContact CB-CB 4.15Å; P1276-E1295 HydrophobicContact CB-CG 4.27Å; P1276-T1299 PolarHBondContact O-OG1 3.44Å |
| 1277 | G | 78.7 | Confident | 77.5 | Confident | 4 Ų | 4 | 88.5 Ų | 88.5 | 4% | 0.041 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1279 E1295 R1296 | G1277-R1279 PolarHBondContact O-N 2.8Å; G1277-R1279 VanDerWaalsContact O-N 3.07Å; G1277-E1295 VanDerWaalsContact CA-OE2 3.23Å; G1277-E1295 WeakPolarHBondContact CA-OE2 3.45Å; G1277-E1295 PolarHBondContact N-OE2 2.77Å; G1277-R1296 WeakPolarHBondContact O-CG 3.47Å; G1277-R1296 PolarHBondContact O-NE 3.32Å |
| 1278 | Q | 80.5 | Confident | 77 | Confident | 22 Ų | 22 | 92.5 Ų | 92.5 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | trans | -74.4 | 19.3 | 174.6 | -71.8 | -177.4 | -6.9 | 0 | 0 | 114.5 | L1260 V1263 L1275 P1276 | L1260-Q1278 HydrophobicContact CD2-CB 4.39Å; V1263-Q1278 HydrophobicContact CG1-CG 4.31Å; L1275-Q1278 VanDerWaalsContact O-CG 3.25Å; L1275-Q1278 WeakPolarHBondContact O-CG 3.25Å; P1276-Q1278 VanDerWaalsContact C-N 3.3Å; P1276-Q1278 PolarHBondContact O-N 2.94Å | ||
| 1279 | R | 81.6 | Confident | 76.7 | Confident | 149 Ų | 149 | 93.2 Ų | 93.2 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -88.8 | 143 | 174.2 | -60.9 | 177.9 | -174.2 | 175.5 | 3.4 | 109.3 | G1277 V1284 R1296 | G1277-R1279 PolarHBondContact O-N 2.8Å; G1277-R1279 VanDerWaalsContact O-N 3.07Å; R1279-V1284 HydrophobicContact CB-CG2 4.43Å; R1279-R1296 PolarHBondContact O-NH2 3.5Å |
| 1280 | S | 76 | Confident | 76.3 | Confident | 27 Ų | 27 | 87.2 Ų | 87.2 | 19% | 0.189 | 42% | 0.42 | C | S | . | . | trans | -70.3 | 128.4 | 172.7 | 165.5 | 0 | 0 | 0 | 0 | 110 | E1256 I1282 Q1283 V1284 | E1256-S1280 WeakPolarHBondContact OE1-CA 3.44Å; E1256-S1280 WeakPolarHBondContact OE2-CA 3.29Å; E1256-S1280 WeakPolarHBondContact OE2-CB 3.49Å; E1256-S1280 PolarHBondContact OE2-OG 3.34Å; S1280-I1282 PolarHBondContact O-N 3.09Å; S1280-I1282 WeakPolarHBondContact OG-CB 3.41Å; S1280-I1282 PolarHBondContact OG-N 3.01Å; S1280-Q1283 PolarHBondContact O-N 3.38Å; S1280-V1284 VanDerWaalsContact O-CG2 3.3Å; S1280-V1284 WeakPolarHBondContact O-CG2 3.44Å | ||
| 1281 | L | 72.2 | Confident | 76.2 | Confident | 59 Ų | 59 | 89 Ų | 89 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -61.7 | -18.8 | 175.7 | -78.9 | 158.2 | 0 | 0 | 0 | 112.3 | E1256 Q1283 V1284 R1289 V1292 | E1256-L1281 VanDerWaalsContact CD-N 3.31Å; E1256-L1281 WeakPolarHBondContact OE1-CB 3.45Å; E1256-L1281 PolarHBondContact OE1-N 2.84Å; E1256-L1281 PolarHBondContact OE2-N 2.99Å; E1256-L1281 VanDerWaalsContact OE2-N 3.17Å; L1281-Q1283 VanDerWaalsContact C-N 3.33Å; L1281-V1284 PolarHBondContact O-N 2.95Å; L1281-R1289 HydrophobicContact CD2-CB 4Å; L1281-R1289 HydrophobicContact CD2-CG 3.94Å; L1281-V1292 HydrophobicContact CD2-CB 4.43Å; L1281-V1292 HydrophobicContact CD2-CG1 4.24Å; L1281-V1292 HydrophobicContact CG-CG1 4.46Å |
| 1282 | I | 67.7 | Low | 76.2 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -63 | -40.4 | 176.6 | -61.6 | 162.2 | 0 | 0 | 0 | 110.8 | M1249 Y1253 E1256 S1280 | M1249-I1282 HydrophobicContact CE-CG2 4.25Å; Y1253-I1282 HydrophobicContact CD2-CD1 3.58Å; Y1253-I1282 HydrophobicContact CE2-CD1 4.27Å; Y1253-I1282 HydrophobicContact CG-CD1 4.47Å; E1256-I1282 WeakPolarHBondContact OE2-CG1 3.47Å; S1280-I1282 PolarHBondContact O-N 3.09Å; S1280-I1282 WeakPolarHBondContact OG-CB 3.41Å; S1280-I1282 PolarHBondContact OG-N 3.01Å |
| 1283 | Q | 64.1 | Low | 76.4 | Confident | 172 Ų | 172 | 88 Ų | 88 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -90.1 | 0.7 | -174.6 | -65.3 | 176.7 | -0.3 | 0 | 0 | 113.5 | S1280 L1281 | S1280-Q1283 PolarHBondContact O-N 3.38Å; L1281-Q1283 VanDerWaalsContact C-N 3.33Å |
| 1284 | V | 68.2 | Low | 76.6 | Confident | 10 Ų | 10 | 86.9 Ų | 86.9 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -107.3 | 122 | -168.5 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | R1279 S1280 L1281 E1288 R1289 V1292 | R1279-V1284 HydrophobicContact CB-CG2 4.43Å; S1280-V1284 VanDerWaalsContact O-CG2 3.3Å; S1280-V1284 WeakPolarHBondContact O-CG2 3.44Å; L1281-V1284 PolarHBondContact O-N 2.95Å; V1284-E1288 VanDerWaalsContact CG1-C 3.44Å; V1284-E1288 HydrophobicContact CG1-CB 3.23Å; V1284-R1289 HydrophobicContact CB-CG 4.47Å; V1284-R1289 HydrophobicContact CG1-CG 4.19Å; V1284-R1289 PolarHBondContact O-NE 2.87Å; V1284-R1289 VanDerWaalsContact O-NE 3.15Å; V1284-V1292 HydrophobicContact CG1-CG2 4.01Å; V1284-V1292 HydrophobicContact CG2-CG2 4.17Å |
| 1285 | P | 76 | Confident | 77.2 | Confident | 76 Ų | 76 | 80.3 Ų | 80.3 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | trans | -53 | 149.2 | 175.2 | -26.5 | 34.4 | 0 | 0 | 0 | 112.5 | M1287 E1288 R1289 | P1285-M1287 PolarHBondContact O-N 3.22Å; P1285-E1288 PolarHBondContact O-N 3.46Å; P1285-R1289 PolarHBondContact O-N 2.92Å; P1285-R1289 VanDerWaalsContact O-N 3.14Å | ||
| 1286 | K | 66 | Low | 77.5 | Confident | 156 Ų | 156 | 81.5 Ų | 81.5 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -49.3 | -37.8 | -175.5 | -71.5 | -177 | -179.8 | 177.2 | 0 | 113.9 | R1289 | K1286-R1289 PolarHBondContact O-N 2.93Å |
| 1287 | M | 71.5 | Confident | 77.8 | Confident | 170 Ų | 170 | 83 Ų | 83 | 84% | 0.837 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.8 | -34.7 | 178.3 | -71.6 | -66.6 | -67.3 | 0 | 0 | 113.2 | P1285 | P1285-M1287 PolarHBondContact O-N 3.22Å |
| 1288 | E | 75.1 | Confident | 78.3 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -86.2 | -13.3 | 179.2 | -71.2 | -177.2 | -175.2 | 0 | 0 | 112.7 | V1284 P1285 E1290 T1291 V1292 | V1284-E1288 VanDerWaalsContact CG1-C 3.44Å; V1284-E1288 HydrophobicContact CG1-CB 3.23Å; P1285-E1288 PolarHBondContact O-N 3.46Å; E1288-E1290 PolarHBondContact O-N 3.49Å; E1288-T1291 PolarHBondContact O-N 2.96Å; E1288-T1291 PolarHBondContact O-OG1 3.33Å; E1288-V1292 PolarHBondContact O-N 2.84Å |
| 1289 | R | 80.1 | Confident | 78.6 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 42% | 0.415 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.5 | -32 | 175.2 | -65.8 | -178.2 | -172.3 | 179.2 | -3.8 | 112 | L1281 V1284 P1285 K1286 R1293 | L1281-R1289 HydrophobicContact CD2-CB 4Å; L1281-R1289 HydrophobicContact CD2-CG 3.94Å; V1284-R1289 HydrophobicContact CB-CG 4.47Å; V1284-R1289 HydrophobicContact CG1-CG 4.19Å; V1284-R1289 PolarHBondContact O-NE 2.87Å; V1284-R1289 VanDerWaalsContact O-NE 3.15Å; P1285-R1289 PolarHBondContact O-N 2.92Å; P1285-R1289 VanDerWaalsContact O-N 3.14Å; K1286-R1289 PolarHBondContact O-N 2.93Å; R1289-R1293 WeakPolarHBondContact O-CB 3.3Å; R1289-R1293 PolarHBondContact O-N 2.88Å |
| 1290 | E | 78.7 | Confident | 78.8 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.9 | -32.9 | 175.1 | -172.7 | 56.2 | -152.7 | 0 | 0 | 111.9 | E1288 R1293 K1294 | E1288-E1290 PolarHBondContact O-N 3.49Å; E1290-R1293 IonicContact OE2-CZ 3.8Å; E1290-R1293 IonicContact OE2-NH1 3.84Å; E1290-R1293 PolarHBondContact OE2-NH1 3.1Å; E1290-K1294 WeakPolarHBondContact O-CG 3.43Å; E1290-K1294 PolarHBondContact O-N 2.92Å; E1290-K1294 WeakPolarHBondContact OE1-CE 3.24Å |
| 1291 | T | 81.5 | Confident | 79.4 | Confident | 67 Ų | 67 | 85.6 Ų | 85.6 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 174.8 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | E1288 R1293 K1294 E1295 | E1288-T1291 PolarHBondContact O-N 2.96Å; E1288-T1291 PolarHBondContact O-OG1 3.33Å; T1291-R1293 VanDerWaalsContact C-N 3.31Å; T1291-R1293 PolarHBondContact O-N 3.33Å; T1291-K1294 PolarHBondContact O-N 3.32Å; T1291-K1294 VanDerWaalsContact O-N 3.16Å; T1291-E1295 WeakPolarHBondContact O-CG 3.43Å; T1291-E1295 PolarHBondContact O-N 2.93Å |
| 1292 | V | 83.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 86.9 Ų | 86.9 | 1% | 0.006 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | L1281 V1284 E1288 E1295 R1296 | L1281-V1292 HydrophobicContact CD2-CB 4.43Å; L1281-V1292 HydrophobicContact CD2-CG1 4.24Å; L1281-V1292 HydrophobicContact CG-CG1 4.46Å; V1284-V1292 HydrophobicContact CG1-CG2 4.01Å; V1284-V1292 HydrophobicContact CG2-CG2 4.17Å; E1288-V1292 PolarHBondContact O-N 2.84Å; V1292-E1295 PolarHBondContact O-N 3.01Å; V1292-R1296 HydrophobicContact CG1-CG 4.41Å; V1292-R1296 WeakPolarHBondContact O-CB 3.27Å; V1292-R1296 VanDerWaalsContact O-CG 3.3Å; V1292-R1296 WeakPolarHBondContact O-CG 3.45Å; V1292-R1296 PolarHBondContact O-N 3.44Å |
| 1293 | R | 83.8 | Confident | 81.1 | Confident | 163 Ų | 163 | 84.1 Ų | 84.1 | 62% | 0.615 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.9 | -47.4 | 173.7 | 178.1 | -174.8 | -77.6 | 146.9 | -8.9 | 111.4 | R1289 E1290 T1291 R1296 Q1297 | R1289-R1293 WeakPolarHBondContact O-CB 3.3Å; R1289-R1293 PolarHBondContact O-N 2.88Å; E1290-R1293 IonicContact OE2-CZ 3.8Å; E1290-R1293 IonicContact OE2-NH1 3.84Å; E1290-R1293 PolarHBondContact OE2-NH1 3.1Å; T1291-R1293 VanDerWaalsContact C-N 3.31Å; T1291-R1293 PolarHBondContact O-N 3.33Å; R1293-R1296 PolarHBondContact O-N 3.41Å; R1293-Q1297 PolarHBondContact O-N 3.12Å |
| 1294 | K | 85.1 | Confident | 82.3 | Confident | 129 Ų | 129 | 79 Ų | 79 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.1 | -43.4 | 177.2 | -72.5 | 174.9 | -178.3 | -179.7 | 0 | 111.8 | E1290 T1291 R1296 Q1297 T1298 | E1290-K1294 WeakPolarHBondContact O-CG 3.43Å; E1290-K1294 PolarHBondContact O-N 2.92Å; E1290-K1294 WeakPolarHBondContact OE1-CE 3.24Å; T1291-K1294 PolarHBondContact O-N 3.32Å; T1291-K1294 VanDerWaalsContact O-N 3.16Å; K1294-R1296 PolarHBondContact O-N 3.43Å; K1294-Q1297 WeakPolarHBondContact O-CB 3.39Å; K1294-Q1297 PolarHBondContact O-N 3.34Å; K1294-T1298 WeakPolarHBondContact O-CG2 3.48Å; K1294-T1298 PolarHBondContact O-N 3.32Å; K1294-T1298 PolarHBondContact O-OG1 2.7Å |
| 1295 | E | 87.7 | Confident | 83.2 | Confident | 57 Ų | 57 | 83.7 Ų | 83.7 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.3 | -73.2 | 176.6 | -166.7 | 0 | 0 | 112.2 | P1276 G1277 T1291 V1292 T1298 T1299 | P1276-E1295 HydrophobicContact CB-CB 4.15Å; P1276-E1295 HydrophobicContact CB-CG 4.27Å; G1277-E1295 VanDerWaalsContact CA-OE2 3.23Å; G1277-E1295 WeakPolarHBondContact CA-OE2 3.45Å; G1277-E1295 PolarHBondContact N-OE2 2.77Å; T1291-E1295 WeakPolarHBondContact O-CG 3.43Å; T1291-E1295 PolarHBondContact O-N 2.93Å; V1292-E1295 PolarHBondContact O-N 3.01Å; E1295-T1298 WeakPolarHBondContact CA-OG1 3.46Å; E1295-T1298 PolarHBondContact O-N 3.34Å; E1295-T1298 PolarHBondContact O-OG1 3.04Å; E1295-T1299 WeakPolarHBondContact O-CB 3.35Å; E1295-T1299 PolarHBondContact O-N 3.19Å; E1295-T1299 PolarHBondContact O-OG1 3.5Å |
| 1296 | R | 90.5 | Very high | 83.8 | Confident | 32 Ų | 32 | 84 Ų | 84 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 175 | -71.9 | 179.8 | -178.9 | -174.6 | 6 | 111.8 | E1256 Y1259 G1277 R1279 V1292 R1293 K1294 T1299 I1300 | E1256-R1296 IonicContact OE1-CZ 3.43Å; E1256-R1296 IonicContact OE1-NH1 2.68Å; E1256-R1296 IonicContact OE1-NH2 2.83Å; E1256-R1296 PolarHBondContact OE1-NH2 2.89Å; Y1259-R1296 HydrophobicContact CE1-CG 4.19Å; Y1259-R1296 WeakPolarHBondContact OH-CG 3.48Å; G1277-R1296 WeakPolarHBondContact O-CG 3.47Å; G1277-R1296 PolarHBondContact O-NE 3.32Å; R1279-R1296 PolarHBondContact O-NH2 3.5Å; V1292-R1296 HydrophobicContact CG1-CG 4.41Å; V1292-R1296 WeakPolarHBondContact O-CB 3.27Å; V1292-R1296 VanDerWaalsContact O-CG 3.3Å; V1292-R1296 WeakPolarHBondContact O-CG 3.45Å; V1292-R1296 PolarHBondContact O-N 3.44Å; R1293-R1296 PolarHBondContact O-N 3.41Å; K1294-R1296 PolarHBondContact O-N 3.43Å; R1296-T1299 WeakPolarHBondContact O-CB 3.45Å; R1296-T1299 PolarHBondContact O-N 2.85Å; R1296-I1300 WeakPolarHBondContact O-CG1 3.31Å; R1296-I1300 PolarHBondContact O-N 3.37Å |
| 1297 | Q | 86.4 | Confident | 85 | Confident | 96 Ų | 96 | 81 Ų | 81 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.6 | -176.3 | 59.3 | 35.5 | 0 | 0 | 111.6 | R1293 K1294 T1299 I1300 E1301 | R1293-Q1297 PolarHBondContact O-N 3.12Å; K1294-Q1297 WeakPolarHBondContact O-CB 3.39Å; K1294-Q1297 PolarHBondContact O-N 3.34Å; Q1297-T1299 PolarHBondContact O-N 3.44Å; Q1297-I1300 PolarHBondContact O-N 2.99Å; Q1297-I1300 VanDerWaalsContact O-N 3.14Å; Q1297-E1301 PolarHBondContact NE2-OE1 3.45Å; Q1297-E1301 PolarHBondContact O-N 3.12Å |
| 1298 | T | 87.3 | Confident | 86 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 175 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | K1294 E1295 E1301 L1302 | K1294-T1298 WeakPolarHBondContact O-CG2 3.48Å; K1294-T1298 PolarHBondContact O-N 3.32Å; K1294-T1298 PolarHBondContact O-OG1 2.7Å; E1295-T1298 WeakPolarHBondContact CA-OG1 3.46Å; E1295-T1298 PolarHBondContact O-N 3.34Å; E1295-T1298 PolarHBondContact O-OG1 3.04Å; T1298-E1301 PolarHBondContact O-N 2.95Å; T1298-L1302 WeakPolarHBondContact O-CB 3.46Å; T1298-L1302 PolarHBondContact O-N 2.89Å |
| 1299 | T | 87.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.5 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | V1263 L1275 P1276 E1295 R1296 Q1297 E1301 L1302 L1303 | V1263-T1299 HydrophobicContact CG1-CG2 4.44Å; L1275-T1299 HydrophobicContact CB-CG2 3.64Å; L1275-T1299 HydrophobicContact CD1-CG2 3.66Å; L1275-T1299 HydrophobicContact CD2-CG2 4.16Å; L1275-T1299 HydrophobicContact CG-CG2 4Å; P1276-T1299 PolarHBondContact O-OG1 3.44Å; E1295-T1299 WeakPolarHBondContact O-CB 3.35Å; E1295-T1299 PolarHBondContact O-N 3.19Å; E1295-T1299 PolarHBondContact O-OG1 3.5Å; R1296-T1299 WeakPolarHBondContact O-CB 3.45Å; R1296-T1299 PolarHBondContact O-N 2.85Å; Q1297-T1299 PolarHBondContact O-N 3.44Å; T1299-E1301 VanDerWaalsContact C-N 3.33Å; T1299-L1302 PolarHBondContact O-N 3.27Å; T1299-L1303 HydrophobicContact CG2-CD1 4.03Å; T1299-L1303 HydrophobicContact CG2-CG 4.4Å; T1299-L1303 WeakPolarHBondContact O-CB 3.46Å; T1299-L1303 VanDerWaalsContact O-CG 3.25Å; T1299-L1303 WeakPolarHBondContact O-CG 3.17Å; T1299-L1303 PolarHBondContact O-N 2.88Å |
| 1300 | I | 85.8 | Confident | 87.2 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.8 | -68.6 | 165 | 0 | 0 | 0 | 110.6 | R1296 Q1297 L1303 S1304 | R1296-I1300 WeakPolarHBondContact O-CG1 3.31Å; R1296-I1300 PolarHBondContact O-N 3.37Å; Q1297-I1300 PolarHBondContact O-N 2.99Å; Q1297-I1300 VanDerWaalsContact O-N 3.14Å; I1300-L1303 PolarHBondContact O-N 3.48Å; I1300-S1304 WeakPolarHBondContact O-CB 3.26Å; I1300-S1304 PolarHBondContact O-N 2.89Å; I1300-S1304 PolarHBondContact O-OG 3.38Å |
| 1301 | E | 88.1 | Confident | 87.9 | Confident | 108 Ų | 108 | 77.3 Ų | 77.3 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.9 | -72.5 | 166.2 | -163.4 | 0 | 0 | 111.6 | Q1297 T1298 T1299 S1304 H1305 | Q1297-E1301 PolarHBondContact NE2-OE1 3.45Å; Q1297-E1301 PolarHBondContact O-N 3.12Å; T1298-E1301 PolarHBondContact O-N 2.95Å; T1299-E1301 VanDerWaalsContact C-N 3.33Å; E1301-S1304 PolarHBondContact O-N 3.02Å; E1301-H1305 WeakPolarHBondContact O-CB 3.32Å; E1301-H1305 PolarHBondContact O-N 3.41Å |
| 1302 | L | 86.6 | Confident | 88.5 | Confident | 86 Ų | 86 | 79.1 Ų | 79.1 | 45% | 0.45 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.1 | -177 | 65.5 | 0 | 0 | 0 | 112.1 | L1275 T1298 T1299 H1305 R1306 | L1275-L1302 HydrophobicContact CD2-CD2 3.82Å; T1298-L1302 WeakPolarHBondContact O-CB 3.46Å; T1298-L1302 PolarHBondContact O-N 2.89Å; T1299-L1302 PolarHBondContact O-N 3.27Å; L1302-H1305 PolarHBondContact O-N 2.9Å; L1302-R1306 WeakPolarHBondContact O-CB 3.42Å; L1302-R1306 PolarHBondContact O-N 3.18Å |
| 1303 | L | 88.5 | Confident | 89 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176 | -74.3 | 174.6 | 0 | 0 | 0 | 111.6 | I1266 L1270 L1272 L1275 T1299 I1300 R1306 I1307 | I1266-L1303 HydrophobicContact CG2-CD1 4.15Å; I1266-L1303 HydrophobicContact CG2-CD2 3.63Å; I1266-L1303 HydrophobicContact CG2-CG 4.49Å; L1270-L1303 HydrophobicContact CD1-CD2 3.78Å; L1272-L1303 HydrophobicContact CD1-CD2 3.51Å; L1275-L1303 HydrophobicContact CD1-CD1 4.15Å; L1275-L1303 HydrophobicContact CD1-CD2 4Å; L1275-L1303 HydrophobicContact CD1-CG 4.19Å; T1299-L1303 HydrophobicContact CG2-CD1 4.03Å; T1299-L1303 HydrophobicContact CG2-CG 4.4Å; T1299-L1303 WeakPolarHBondContact O-CB 3.46Å; T1299-L1303 VanDerWaalsContact O-CG 3.25Å; T1299-L1303 WeakPolarHBondContact O-CG 3.17Å; T1299-L1303 PolarHBondContact O-N 2.88Å; I1300-L1303 PolarHBondContact O-N 3.48Å; L1303-R1306 PolarHBondContact O-N 3.11Å; L1303-I1307 VanDerWaalsContact O-CG1 3.27Å; L1303-I1307 WeakPolarHBondContact O-CG1 3.39Å; L1303-I1307 PolarHBondContact O-N 3.43Å |
| 1304 | S | 89.1 | Confident | 89.5 | Confident | 64 Ų | 64 | 80 Ų | 80 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | I1300 E1301 R1306 I1307 E1308 | I1300-S1304 WeakPolarHBondContact O-CB 3.26Å; I1300-S1304 PolarHBondContact O-N 2.89Å; I1300-S1304 PolarHBondContact O-OG 3.38Å; E1301-S1304 PolarHBondContact O-N 3.02Å; S1304-R1306 VanDerWaalsContact C-N 3.34Å; S1304-R1306 PolarHBondContact O-N 3.26Å; S1304-I1307 PolarHBondContact O-N 3.41Å; S1304-E1308 PolarHBondContact O-N 3.32Å |
| 1305 | H | 87.4 | Confident | 89.9 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.2 | -173.9 | 57.6 | 0 | 0 | 0 | 112.1 | E1301 L1302 E1308 I1309 | E1301-H1305 WeakPolarHBondContact O-CB 3.32Å; E1301-H1305 PolarHBondContact O-N 3.41Å; L1302-H1305 PolarHBondContact O-N 2.9Å; H1305-E1308 PolarHBondContact O-N 3.32Å; H1305-I1309 WeakPolarHBondContact O-CG1 3.46Å; H1305-I1309 PolarHBondContact O-N 3.35Å |
| 1306 | R | 90 | Very high | 90.2 | Very high | 82 Ų | 82 | 81.6 Ų | 81.6 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.9 | -177.1 | 56.5 | 172.2 | 166.8 | -0.2 | 112.3 | L1272 L1302 L1303 S1304 E1308 I1309 L1310 | L1272-R1306 HydrophobicContact CD1-CG 4.46Å; L1302-R1306 WeakPolarHBondContact O-CB 3.42Å; L1302-R1306 PolarHBondContact O-N 3.18Å; L1303-R1306 PolarHBondContact O-N 3.11Å; S1304-R1306 VanDerWaalsContact C-N 3.34Å; S1304-R1306 PolarHBondContact O-N 3.26Å; R1306-E1308 VanDerWaalsContact C-N 3.32Å; R1306-I1309 PolarHBondContact O-N 3.01Å; R1306-L1310 HydrophobicContact CG-CD1 4.45Å; R1306-L1310 WeakPolarHBondContact O-CG 3.35Å; R1306-L1310 PolarHBondContact O-N 3.17Å |
| 1307 | I | 90 | Very high | 90.4 | Very high | 93 Ų | 93 | 86.6 Ų | 86.6 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.5 | -70.4 | 165.7 | 0 | 0 | 0 | 110.6 | L1270 L1303 S1304 L1310 K1311 | L1270-I1307 HydrophobicContact CD1-CG1 4.17Å; L1303-I1307 VanDerWaalsContact O-CG1 3.27Å; L1303-I1307 WeakPolarHBondContact O-CG1 3.39Å; L1303-I1307 PolarHBondContact O-N 3.43Å; S1304-I1307 PolarHBondContact O-N 3.41Å; I1307-L1310 PolarHBondContact O-N 3.21Å; I1307-K1311 WeakPolarHBondContact O-CB 3.42Å; I1307-K1311 PolarHBondContact O-N 2.88Å |
| 1308 | E | 92.6 | Very high | 90.8 | Very high | 117 Ų | 117 | 86.6 Ų | 86.6 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.2 | -170.7 | 166.2 | -143 | 0 | 0 | 111.8 | S1304 H1305 R1306 L1310 K1311 D1312 | S1304-E1308 PolarHBondContact O-N 3.32Å; H1305-E1308 PolarHBondContact O-N 3.32Å; R1306-E1308 VanDerWaalsContact C-N 3.32Å; E1308-L1310 VanDerWaalsContact C-N 3.35Å; E1308-L1310 PolarHBondContact O-N 3.46Å; E1308-K1311 WeakPolarHBondContact O-CB 3.28Å; E1308-K1311 PolarHBondContact O-N 2.9Å; E1308-D1312 PolarHBondContact O-N 3.4Å |
| 1309 | I | 91.4 | Very high | 91.1 | Very high | 58 Ų | 58 | 86.9 Ų | 86.9 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 173.6 | -66.6 | 165.2 | 0 | 0 | 0 | 111.4 | H1305 R1306 K1311 D1312 Q1313 | H1305-I1309 WeakPolarHBondContact O-CG1 3.46Å; H1305-I1309 PolarHBondContact O-N 3.35Å; R1306-I1309 PolarHBondContact O-N 3.01Å; I1309-K1311 VanDerWaalsContact C-N 3.3Å; I1309-K1311 PolarHBondContact O-N 2.89Å; I1309-D1312 PolarHBondContact O-N 3.2Å; I1309-Q1313 HydrophobicContact CG2-CG 4.46Å; I1309-Q1313 WeakPolarHBondContact O-CG 3.24Å; I1309-Q1313 PolarHBondContact O-N 2.95Å |
| 1310 | L | 89.4 | Confident | 91.5 | Very high | 53 Ų | 53 | 90.4 Ų | 90.4 | 28% | 0.277 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 178.2 | -75.3 | 172.3 | 0 | 0 | 0 | 111.7 | L1270 R1306 I1307 E1308 Q1313 V1314 | L1270-L1310 HydrophobicContact CD2-CD1 3.54Å; R1306-L1310 HydrophobicContact CG-CD1 4.45Å; R1306-L1310 WeakPolarHBondContact O-CG 3.35Å; R1306-L1310 PolarHBondContact O-N 3.17Å; I1307-L1310 PolarHBondContact O-N 3.21Å; E1308-L1310 VanDerWaalsContact C-N 3.35Å; E1308-L1310 PolarHBondContact O-N 3.46Å; L1310-Q1313 PolarHBondContact O-N 3.35Å; L1310-V1314 WeakPolarHBondContact O-CB 3.44Å; L1310-V1314 VanDerWaalsContact O-CG2 3.28Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.34Å; L1310-V1314 PolarHBondContact O-N 3.37Å |
| 1311 | K | 93.2 | Very high | 92 | Very high | 145 Ų | 145 | 92.2 Ų | 92.2 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.2 | -45.8 | 173.7 | -176.6 | -172 | 173.2 | -167.5 | 0 | 110.9 | I1307 E1308 I1309 Q1313 V1314 Q1315 | I1307-K1311 WeakPolarHBondContact O-CB 3.42Å; I1307-K1311 PolarHBondContact O-N 2.88Å; E1308-K1311 WeakPolarHBondContact O-CB 3.28Å; E1308-K1311 PolarHBondContact O-N 2.9Å; I1309-K1311 VanDerWaalsContact C-N 3.3Å; I1309-K1311 PolarHBondContact O-N 2.89Å; K1311-Q1313 PolarHBondContact O-N 3.44Å; K1311-V1314 PolarHBondContact O-N 3.03Å; K1311-Q1315 WeakPolarHBondContact O-CB 3.5Å; K1311-Q1315 PolarHBondContact O-N 2.95Å |
| 1312 | D | 94.4 | Very high | 92.2 | Very high | 105 Ų | 105 | 89.5 Ų | 89.5 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 176.5 | -69.8 | -15.8 | 0 | 0 | 0 | 112.1 | E1308 I1309 Q1315 H1316 | E1308-D1312 PolarHBondContact O-N 3.4Å; I1309-D1312 PolarHBondContact O-N 3.2Å; D1312-Q1315 PolarHBondContact O-N 3.33Å; D1312-H1316 WeakPolarHBondContact O-CB 3.37Å; D1312-H1316 PolarHBondContact O-N 2.86Å |
| 1313 | Q | 94.7 | Very high | 92.6 | Very high | 94 Ų | 94 | 89.9 Ų | 89.9 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -41 | 175 | -73.7 | -179.2 | -6.1 | 0 | 0 | 112.6 | I1309 L1310 K1311 H1316 K1317 | I1309-Q1313 HydrophobicContact CG2-CG 4.46Å; I1309-Q1313 WeakPolarHBondContact O-CG 3.24Å; I1309-Q1313 PolarHBondContact O-N 2.95Å; L1310-Q1313 PolarHBondContact O-N 3.35Å; K1311-Q1313 PolarHBondContact O-N 3.44Å; Q1313-H1316 PolarHBondContact O-N 3.38Å; Q1313-K1317 WeakPolarHBondContact O-CG 3.33Å; Q1313-K1317 PolarHBondContact O-N 3.41Å |
| 1314 | V | 93.9 | Very high | 92.8 | Very high | 89 Ų | 89 | 95.8 Ų | 95.8 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | L1310 K1311 H1316 K1317 E1318 | L1310-V1314 WeakPolarHBondContact O-CB 3.44Å; L1310-V1314 VanDerWaalsContact O-CG2 3.28Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.34Å; L1310-V1314 PolarHBondContact O-N 3.37Å; K1311-V1314 PolarHBondContact O-N 3.03Å; V1314-H1316 VanDerWaalsContact C-N 3.31Å; V1314-H1316 PolarHBondContact O-N 3.4Å; V1314-K1317 PolarHBondContact O-N 3.47Å; V1314-K1317 VanDerWaalsContact O-N 3.16Å; V1314-E1318 WeakPolarHBondContact O-CB 3.31Å; V1314-E1318 PolarHBondContact O-N 2.69Å |
| 1315 | Q | 93.5 | Very high | 93.1 | Very high | 89 Ų | 89 | 98.8 Ų | 98.8 | 42% | 0.416 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.9 | -170.1 | 64.9 | 53.8 | 0 | 0 | 111.9 | K1311 D1312 E1318 N1319 | K1311-Q1315 WeakPolarHBondContact O-CB 3.5Å; K1311-Q1315 PolarHBondContact O-N 2.95Å; D1312-Q1315 PolarHBondContact O-N 3.33Å; Q1315-E1318 PolarHBondContact O-N 3.33Å; Q1315-N1319 PolarHBondContact NE2-OD1 3.38Å; Q1315-N1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-N1319 PolarHBondContact O-N 3.4Å; Q1315-N1319 PolarHBondContact O-ND2 3.26Å; Q1315-N1319 PolarHBondContact O-OD1 2.86Å |
| 1316 | H | 94.1 | Very high | 93.4 | Very high | 129 Ų | 129 | 99.5 Ų | 99.5 | 60% | 0.597 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 175.1 | -179.1 | 62.6 | 0 | 0 | 0 | 112 | D1312 Q1313 V1314 N1319 L1320 | D1312-H1316 WeakPolarHBondContact O-CB 3.37Å; D1312-H1316 PolarHBondContact O-N 2.86Å; Q1313-H1316 PolarHBondContact O-N 3.38Å; V1314-H1316 VanDerWaalsContact C-N 3.31Å; V1314-H1316 PolarHBondContact O-N 3.4Å; H1316-N1319 PolarHBondContact O-N 2.94Å; H1316-L1320 WeakPolarHBondContact O-CB 3.37Å; H1316-L1320 PolarHBondContact O-N 2.99Å |
| 1317 | K | 95 | Very high | 93.6 | Very high | 137 Ų | 137 | 98.9 Ų | 98.9 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.5 | -39.2 | 175.5 | -74.6 | 179.1 | 179.7 | 179.6 | 0 | 112.4 | Q1313 V1314 L1320 L1321 | Q1313-K1317 WeakPolarHBondContact O-CG 3.33Å; Q1313-K1317 PolarHBondContact O-N 3.41Å; V1314-K1317 PolarHBondContact O-N 3.47Å; V1314-K1317 VanDerWaalsContact O-N 3.16Å; K1317-L1320 PolarHBondContact O-N 3.26Å; K1317-L1321 WeakPolarHBondContact O-CG 3.38Å; K1317-L1321 PolarHBondContact O-N 2.84Å |
| 1318 | E | 94.5 | Very high | 93.6 | Very high | 96 Ų | 96 | 99 Ų | 99 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.4 | -172.9 | 175.7 | -178.9 | 0 | 0 | 111.3 | V1314 Q1315 L1320 L1321 N1322 | V1314-E1318 WeakPolarHBondContact O-CB 3.31Å; V1314-E1318 PolarHBondContact O-N 2.69Å; Q1315-E1318 PolarHBondContact O-N 3.33Å; E1318-L1320 VanDerWaalsContact C-N 3.32Å; E1318-L1320 PolarHBondContact O-N 3.47Å; E1318-L1321 PolarHBondContact O-N 3.22Å; E1318-N1322 VanDerWaalsContact O-CG 3.23Å; E1318-N1322 PolarHBondContact O-N 2.83Å; E1318-N1322 PolarHBondContact O-ND2 2.92Å |
| 1319 | N | 93.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 96.1 Ų | 96.1 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.1 | -67.9 | -13.4 | 0 | 0 | 0 | 111.8 | Q1315 H1316 N1322 E1323 | Q1315-N1319 PolarHBondContact NE2-OD1 3.38Å; Q1315-N1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-N1319 PolarHBondContact O-N 3.4Å; Q1315-N1319 PolarHBondContact O-ND2 3.26Å; Q1315-N1319 PolarHBondContact O-OD1 2.86Å; H1316-N1319 PolarHBondContact O-N 2.94Å; N1319-N1322 PolarHBondContact O-N 3.39Å; N1319-E1323 PolarHBondContact O-N 2.91Å; N1319-E1323 VanDerWaalsContact O-N 3.08Å |
| 1320 | L | 95.7 | Very high | 93.7 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.1 | -178.7 | 63.1 | 0 | 0 | 0 | 112.3 | H1316 K1317 E1318 N1322 E1323 Y1324 | H1316-L1320 WeakPolarHBondContact O-CB 3.37Å; H1316-L1320 PolarHBondContact O-N 2.99Å; K1317-L1320 PolarHBondContact O-N 3.26Å; E1318-L1320 VanDerWaalsContact C-N 3.32Å; E1318-L1320 PolarHBondContact O-N 3.47Å; L1320-N1322 VanDerWaalsContact C-N 3.33Å; L1320-E1323 PolarHBondContact O-N 2.94Å; L1320-Y1324 HydrophobicContact CD1-CD2 4.41Å; L1320-Y1324 HydrophobicContact CD1-CE2 3.88Å; L1320-Y1324 HydrophobicContact CD2-CE2 4.05Å; L1320-Y1324 HydrophobicContact CG-CD2 4.08Å; L1320-Y1324 HydrophobicContact CG-CE2 3.66Å; L1320-Y1324 WeakPolarHBondContact O-CD2 3.37Å; L1320-Y1324 PolarHBondContact O-N 3.18Å |
| 1321 | L | 95.2 | Very high | 93.8 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | 174.8 | -75 | 169.9 | 0 | 0 | 0 | 111.8 | K1317 E1318 E1323 Y1324 E1325 | K1317-L1321 WeakPolarHBondContact O-CG 3.38Å; K1317-L1321 PolarHBondContact O-N 2.84Å; E1318-L1321 PolarHBondContact O-N 3.22Å; L1321-E1323 VanDerWaalsContact C-N 3.32Å; L1321-E1323 PolarHBondContact O-N 2.96Å; L1321-Y1324 PolarHBondContact O-N 3.48Å; L1321-E1325 WeakPolarHBondContact O-CB 3.35Å; L1321-E1325 PolarHBondContact O-N 3.42Å |
| 1322 | N | 94 | Very high | 93.9 | Very high | 52 Ų | 52 | 102.8 Ų | 102.8 | 28% | 0.278 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 174.5 | -70.6 | -29.1 | 0 | 0 | 0 | 111.9 | E1318 N1319 L1320 E1325 R1326 | E1318-N1322 VanDerWaalsContact O-CG 3.23Å; E1318-N1322 PolarHBondContact O-N 2.83Å; E1318-N1322 PolarHBondContact O-ND2 2.92Å; N1319-N1322 PolarHBondContact O-N 3.39Å; L1320-N1322 VanDerWaalsContact C-N 3.33Å; N1322-E1325 PolarHBondContact O-N 3.44Å; N1322-R1326 VanDerWaalsContact O-CG 3.31Å; N1322-R1326 WeakPolarHBondContact O-CG 3.32Å; N1322-R1326 PolarHBondContact O-N 3.15Å |
| 1323 | E | 94 | Very high | 93.7 | Very high | 93 Ų | 93 | 104.5 Ų | 104.5 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 172.4 | -68.9 | -60 | 111.2 | 0 | 0 | 111.4 | N1319 L1320 L1321 E1325 R1326 D1327 | N1319-E1323 PolarHBondContact O-N 2.91Å; N1319-E1323 VanDerWaalsContact O-N 3.08Å; L1320-E1323 PolarHBondContact O-N 2.94Å; L1321-E1323 VanDerWaalsContact C-N 3.32Å; L1321-E1323 PolarHBondContact O-N 2.96Å; E1323-E1325 VanDerWaalsContact C-N 3.31Å; E1323-E1325 PolarHBondContact O-N 2.64Å; E1323-R1326 WeakPolarHBondContact O-CB 3.33Å; E1323-R1326 PolarHBondContact O-N 3.01Å; E1323-R1326 IonicContact OE1-CZ 3.22Å; E1323-R1326 IonicContact OE1-NH1 2.77Å; E1323-R1326 PolarHBondContact OE1-NH1 3.29Å; E1323-D1327 PolarHBondContact O-N 3.15Å |
| 1324 | Y | 92.9 | Very high | 93.5 | Very high | 139 Ų | 139 | 102.7 Ų | 102.7 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 175.4 | -73.3 | -45.3 | 0 | 0 | 0 | 113.2 | L1320 L1321 D1327 M1328 | L1320-Y1324 HydrophobicContact CD1-CD2 4.41Å; L1320-Y1324 HydrophobicContact CD1-CE2 3.88Å; L1320-Y1324 HydrophobicContact CD2-CE2 4.05Å; L1320-Y1324 HydrophobicContact CG-CD2 4.08Å; L1320-Y1324 HydrophobicContact CG-CE2 3.66Å; L1320-Y1324 WeakPolarHBondContact O-CD2 3.37Å; L1320-Y1324 PolarHBondContact O-N 3.18Å; L1321-Y1324 PolarHBondContact O-N 3.48Å; Y1324-D1327 PolarHBondContact O-N 2.69Å; Y1324-M1328 WeakPolarHBondContact O-CB 3.39Å; Y1324-M1328 PolarHBondContact O-N 3.42Å |
| 1325 | E | 95 | Very high | 93.3 | Very high | 128 Ų | 128 | 104.1 Ų | 104.1 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | 175.7 | -171.7 | 175.7 | -173.5 | 0 | 0 | 112 | L1321 N1322 E1323 M1328 S1329 | L1321-E1325 WeakPolarHBondContact O-CB 3.35Å; L1321-E1325 PolarHBondContact O-N 3.42Å; N1322-E1325 PolarHBondContact O-N 3.44Å; E1323-E1325 VanDerWaalsContact C-N 3.31Å; E1323-E1325 PolarHBondContact O-N 2.64Å; E1325-M1328 PolarHBondContact O-N 2.91Å; E1325-S1329 WeakPolarHBondContact O-CB 3.42Å; E1325-S1329 PolarHBondContact O-N 3.4Å; E1325-S1329 PolarHBondContact O-OG 3.48Å |
| 1326 | R | 94.1 | Very high | 93.2 | Very high | 123 Ų | 123 | 102.7 Ų | 102.7 | 46% | 0.464 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 172.9 | -72.2 | 174.2 | -173.6 | 105.6 | 14.7 | 111.4 | N1322 E1323 M1328 S1329 R1330 | N1322-R1326 VanDerWaalsContact O-CG 3.31Å; N1322-R1326 WeakPolarHBondContact O-CG 3.32Å; N1322-R1326 PolarHBondContact O-N 3.15Å; E1323-R1326 WeakPolarHBondContact O-CB 3.33Å; E1323-R1326 PolarHBondContact O-N 3.01Å; E1323-R1326 IonicContact OE1-CZ 3.22Å; E1323-R1326 IonicContact OE1-NH1 2.77Å; E1323-R1326 PolarHBondContact OE1-NH1 3.29Å; R1326-M1328 VanDerWaalsContact C-N 3.29Å; R1326-M1328 PolarHBondContact O-N 3.1Å; R1326-S1329 WeakPolarHBondContact O-CB 3.47Å; R1326-S1329 PolarHBondContact O-N 3.07Å; R1326-R1330 WeakPolarHBondContact O-CG 3.47Å; R1326-R1330 PolarHBondContact O-N 3.48Å |
| 1327 | D | 94.1 | Very high | 93 | Very high | 70 Ų | 70 | 101.6 Ų | 101.6 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 177.9 | -74.7 | -16.6 | 0 | 0 | 0 | 111.9 | E1323 Y1324 R1330 L1331 | E1323-D1327 PolarHBondContact O-N 3.15Å; Y1324-D1327 PolarHBondContact O-N 2.69Å; D1327-R1330 PolarHBondContact O-N 3.01Å; D1327-R1330 IonicContact OD1-NH1 2.63Å; D1327-R1330 PolarHBondContact OD1-NH1 3.41Å; D1327-L1331 WeakPolarHBondContact O-CB 3.41Å; D1327-L1331 PolarHBondContact O-N 3.36Å |
| 1328 | M | 91 | Very high | 92.8 | Very high | 95 Ų | 95 | 97.8 Ų | 97.8 | 47% | 0.468 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.9 | -32.7 | 174.3 | -144.9 | 49.9 | 22.6 | 0 | 0 | 113.6 | Y1324 E1325 R1326 L1331 K1332 | Y1324-M1328 WeakPolarHBondContact O-CB 3.39Å; Y1324-M1328 PolarHBondContact O-N 3.42Å; E1325-M1328 PolarHBondContact O-N 2.91Å; R1326-M1328 VanDerWaalsContact C-N 3.29Å; R1326-M1328 PolarHBondContact O-N 3.1Å; M1328-L1331 HydrophobicContact CE-CB 4.44Å; M1328-L1331 HydrophobicContact CE-CD2 3.98Å; M1328-L1331 HydrophobicContact SD-CB 4.45Å; M1328-L1331 HydrophobicContact SD-CD2 3.78Å; M1328-K1332 WeakPolarHBondContact O-CG 3.44Å; M1328-K1332 PolarHBondContact O-N 2.93Å |
| 1329 | S | 93.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 98.1 Ų | 98.1 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 171 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | E1325 R1326 K1332 Q1333 | E1325-S1329 WeakPolarHBondContact O-CB 3.42Å; E1325-S1329 PolarHBondContact O-N 3.4Å; E1325-S1329 PolarHBondContact O-OG 3.48Å; R1326-S1329 WeakPolarHBondContact O-CB 3.47Å; R1326-S1329 PolarHBondContact O-N 3.07Å; S1329-K1332 PolarHBondContact O-N 3.05Å; S1329-Q1333 WeakPolarHBondContact O-CG 3.49Å; S1329-Q1333 PolarHBondContact O-N 3.28Å |
| 1330 | R | 93.1 | Very high | 92.6 | Very high | 159 Ų | 159 | 96.3 Ų | 96.3 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 173.4 | -72.2 | 172.1 | 176 | 164 | -5.5 | 111.8 | R1326 D1327 Q1333 A1334 | R1326-R1330 WeakPolarHBondContact O-CG 3.47Å; R1326-R1330 PolarHBondContact O-N 3.48Å; D1327-R1330 PolarHBondContact O-N 3.01Å; D1327-R1330 IonicContact OD1-NH1 2.63Å; D1327-R1330 PolarHBondContact OD1-NH1 3.41Å; R1330-Q1333 PolarHBondContact O-N 3.3Å; R1330-A1334 WeakPolarHBondContact O-CB 3.47Å; R1330-A1334 PolarHBondContact O-N 2.82Å |
| 1331 | L | 91.6 | Very high | 92.3 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.4 | -175.1 | 62.4 | 0 | 0 | 0 | 111.5 | D1327 M1328 Q1333 A1334 E1335 | D1327-L1331 WeakPolarHBondContact O-CB 3.41Å; D1327-L1331 PolarHBondContact O-N 3.36Å; M1328-L1331 HydrophobicContact CE-CB 4.44Å; M1328-L1331 HydrophobicContact CE-CD2 3.98Å; M1328-L1331 HydrophobicContact SD-CB 4.45Å; M1328-L1331 HydrophobicContact SD-CD2 3.78Å; L1331-Q1333 VanDerWaalsContact C-N 3.34Å; L1331-Q1333 PolarHBondContact O-N 2.94Å; L1331-A1334 WeakPolarHBondContact O-CB 3.27Å; L1331-A1334 PolarHBondContact O-N 3.07Å; L1331-E1335 WeakPolarHBondContact O-CB 3.38Å; L1331-E1335 PolarHBondContact O-N 3.3Å |
| 1332 | K | 94.2 | Very high | 92.1 | Very high | 137 Ų | 137 | 94.9 Ų | 94.9 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 175.1 | -74.5 | 176.2 | 179.6 | -179.6 | 0 | 112.9 | M1328 S1329 A1334 E1335 A1336 | M1328-K1332 WeakPolarHBondContact O-CG 3.44Å; M1328-K1332 PolarHBondContact O-N 2.93Å; S1329-K1332 PolarHBondContact O-N 3.05Å; K1332-A1334 VanDerWaalsContact C-N 3.35Å; K1332-E1335 PolarHBondContact O-N 3.5Å; K1332-A1336 WeakPolarHBondContact O-CB 3.33Å; K1332-A1336 PolarHBondContact O-N 3.49Å |
| 1333 | Q | 90.3 | Very high | 91.9 | Very high | 141 Ų | 141 | 98.1 Ų | 98.1 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 174.5 | -74 | 177.1 | 23.6 | 0 | 0 | 111.6 | S1329 R1330 L1331 L1337 | S1329-Q1333 WeakPolarHBondContact O-CG 3.49Å; S1329-Q1333 PolarHBondContact O-N 3.28Å; R1330-Q1333 PolarHBondContact O-N 3.3Å; L1331-Q1333 VanDerWaalsContact C-N 3.34Å; L1331-Q1333 PolarHBondContact O-N 2.94Å; Q1333-L1337 WeakPolarHBondContact O-CB 3.4Å; Q1333-L1337 PolarHBondContact O-N 3.31Å |
| 1334 | A | 89.7 | Confident | 91.8 | Very high | 56 Ų | 56 | 97.6 Ų | 97.6 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1330 L1331 K1332 L1337 A1338 | R1330-A1334 WeakPolarHBondContact O-CB 3.47Å; R1330-A1334 PolarHBondContact O-N 2.82Å; L1331-A1334 WeakPolarHBondContact O-CB 3.27Å; L1331-A1334 PolarHBondContact O-N 3.07Å; K1332-A1334 VanDerWaalsContact C-N 3.35Å; A1334-L1337 PolarHBondContact O-N 3.46Å; A1334-A1338 WeakPolarHBondContact O-CB 3.46Å; A1334-A1338 PolarHBondContact O-N 3.46Å |
| 1335 | E | 89.6 | Confident | 91.8 | Very high | 119 Ų | 119 | 94.8 Ų | 94.8 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -49.8 | 174.2 | -175.7 | 177.2 | -156 | 0 | 0 | 111.2 | L1331 K1332 L1337 A1338 D1339 | L1331-E1335 WeakPolarHBondContact O-CB 3.38Å; L1331-E1335 PolarHBondContact O-N 3.3Å; K1332-E1335 PolarHBondContact O-N 3.5Å; E1335-L1337 VanDerWaalsContact C-N 3.26Å; E1335-L1337 PolarHBondContact O-N 2.93Å; E1335-A1338 WeakPolarHBondContact O-CA 3.28Å; E1335-A1338 WeakPolarHBondContact O-CB 3.29Å; E1335-A1338 PolarHBondContact O-N 3.06Å; E1335-D1339 PolarHBondContact O-N 3.11Å |
| 1336 | A | 93 | Very high | 91.6 | Very high | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1332 A1340 | K1332-A1336 WeakPolarHBondContact O-CB 3.33Å; K1332-A1336 PolarHBondContact O-N 3.49Å; A1336-A1340 WeakPolarHBondContact O-CB 3.33Å; A1336-A1340 PolarHBondContact O-N 3.04Å |
| 1337 | L | 90.1 | Very high | 91.5 | Very high | 106 Ų | 106 | 90.4 Ų | 90.4 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.1 | -40.4 | 175.2 | -145.9 | 172.7 | 0 | 0 | 0 | 110.9 | Q1333 A1334 E1335 A1340 K1341 | Q1333-L1337 WeakPolarHBondContact O-CB 3.4Å; Q1333-L1337 PolarHBondContact O-N 3.31Å; A1334-L1337 PolarHBondContact O-N 3.46Å; E1335-L1337 VanDerWaalsContact C-N 3.26Å; E1335-L1337 PolarHBondContact O-N 2.93Å; L1337-A1340 PolarHBondContact O-N 3.49Å; L1337-K1341 HydrophobicContact CD2-CG 3.87Å; L1337-K1341 VanDerWaalsContact O-CG 3.23Å; L1337-K1341 WeakPolarHBondContact O-CG 3.47Å; L1337-K1341 PolarHBondContact O-N 3.38Å |
| 1338 | A | 89.1 | Confident | 91.5 | Very high | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1334 E1335 K1341 S1342 | A1334-A1338 WeakPolarHBondContact O-CB 3.46Å; A1334-A1338 PolarHBondContact O-N 3.46Å; E1335-A1338 WeakPolarHBondContact O-CA 3.28Å; E1335-A1338 WeakPolarHBondContact O-CB 3.29Å; E1335-A1338 PolarHBondContact O-N 3.06Å; A1338-K1341 CarbonylContact O-C 3.58Å; A1338-K1341 PolarHBondContact O-N 2.95Å; A1338-S1342 PolarHBondContact O-N 3.37Å |
| 1339 | D | 92.1 | Very high | 91.5 | Very high | 102 Ų | 102 | 91.8 Ų | 91.8 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.3 | -73.7 | -19.3 | 0 | 0 | 0 | 111.6 | E1335 K1341 S1342 E1343 | E1335-D1339 PolarHBondContact O-N 3.11Å; D1339-K1341 PolarHBondContact O-N 3.48Å; D1339-S1342 WeakPolarHBondContact O-CB 3.24Å; D1339-S1342 PolarHBondContact O-N 2.85Å; D1339-S1342 VanDerWaalsContact O-N 3.13Å; D1339-E1343 PolarHBondContact O-N 3.46Å |
| 1340 | A | 92.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 94 Ų | 94 | 35% | 0.347 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1336 L1337 Q1344 | A1336-A1340 WeakPolarHBondContact O-CB 3.33Å; A1336-A1340 PolarHBondContact O-N 3.04Å; L1337-A1340 PolarHBondContact O-N 3.49Å; A1340-Q1344 WeakPolarHBondContact O-CG 3.42Å; A1340-Q1344 PolarHBondContact O-N 2.89Å; A1340-Q1344 VanDerWaalsContact O-N 3.11Å |
| 1341 | K | 90.1 | Very high | 91.5 | Very high | 107 Ų | 107 | 91.9 Ų | 91.9 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.9 | -39.1 | 174.3 | -69.2 | -70.5 | 166.9 | -164.7 | 0 | 112.2 | L1337 A1338 D1339 E1343 Q1344 V1345 | L1337-K1341 HydrophobicContact CD2-CG 3.87Å; L1337-K1341 VanDerWaalsContact O-CG 3.23Å; L1337-K1341 WeakPolarHBondContact O-CG 3.47Å; L1337-K1341 PolarHBondContact O-N 3.38Å; A1338-K1341 CarbonylContact O-C 3.58Å; A1338-K1341 PolarHBondContact O-N 2.95Å; D1339-K1341 PolarHBondContact O-N 3.48Å; K1341-E1343 VanDerWaalsContact C-N 3.3Å; K1341-E1343 PolarHBondContact O-N 2.95Å; K1341-Q1344 PolarHBondContact O-N 2.89Å; K1341-V1345 WeakPolarHBondContact O-CG2 3.31Å; K1341-V1345 PolarHBondContact O-N 3.4Å |
| 1342 | S | 90.2 | Very high | 91.6 | Very high | 50 Ų | 50 | 93 Ų | 93 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 172.9 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | A1338 D1339 Q1344 V1345 D1346 | A1338-S1342 PolarHBondContact O-N 3.37Å; D1339-S1342 WeakPolarHBondContact O-CB 3.24Å; D1339-S1342 PolarHBondContact O-N 2.85Å; D1339-S1342 VanDerWaalsContact O-N 3.13Å; S1342-Q1344 PolarHBondContact O-N 3.07Å; S1342-V1345 PolarHBondContact O-N 3.48Å; S1342-D1346 PolarHBondContact O-N 3.07Å |
| 1343 | E | 91.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 176.9 | -165.4 | -179.3 | 177.5 | 0 | 0 | 111.8 | D1339 K1341 V1345 D1346 Q1347 | D1339-E1343 PolarHBondContact O-N 3.46Å; K1341-E1343 VanDerWaalsContact C-N 3.3Å; K1341-E1343 PolarHBondContact O-N 2.95Å; E1343-V1345 VanDerWaalsContact C-N 3.32Å; E1343-V1345 PolarHBondContact O-N 3.32Å; E1343-D1346 PolarHBondContact O-N 3.41Å; E1343-Q1347 WeakPolarHBondContact O-CB 3.23Å; E1343-Q1347 VanDerWaalsContact O-CG 3.26Å; E1343-Q1347 WeakPolarHBondContact O-CG 3.39Å; E1343-Q1347 PolarHBondContact O-N 3.44Å |
| 1344 | Q | 92.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 91.3 Ų | 91.3 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 172.2 | -75.3 | 169.5 | 28 | 0 | 0 | 112 | A1340 K1341 S1342 Q1347 F1348 | A1340-Q1344 WeakPolarHBondContact O-CG 3.42Å; A1340-Q1344 PolarHBondContact O-N 2.89Å; A1340-Q1344 VanDerWaalsContact O-N 3.11Å; K1341-Q1344 PolarHBondContact O-N 2.89Å; S1342-Q1344 PolarHBondContact O-N 3.07Å; Q1344-Q1347 PolarHBondContact O-N 3.44Å; Q1344-F1348 WeakPolarHBondContact O-CD2 3.21Å; Q1344-F1348 WeakPolarHBondContact O-CG 3.45Å; Q1344-F1348 PolarHBondContact O-N 2.79Å |
| 1345 | V | 91.3 | Very high | 91.7 | Very high | 80 Ų | 80 | 94 Ų | 94 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | K1341 S1342 E1343 Q1347 F1348 I1349 | K1341-V1345 WeakPolarHBondContact O-CG2 3.31Å; K1341-V1345 PolarHBondContact O-N 3.4Å; S1342-V1345 PolarHBondContact O-N 3.48Å; E1343-V1345 VanDerWaalsContact C-N 3.32Å; E1343-V1345 PolarHBondContact O-N 3.32Å; V1345-Q1347 VanDerWaalsContact C-N 3.31Å; V1345-Q1347 PolarHBondContact O-N 3.15Å; V1345-F1348 PolarHBondContact O-N 3.16Å; V1345-F1348 VanDerWaalsContact O-N 3.16Å; V1345-I1349 HydrophobicContact CG1-CD1 3.88Å; V1345-I1349 HydrophobicContact CG1-CG1 4.43Å; V1345-I1349 WeakPolarHBondContact O-CG1 3.48Å; V1345-I1349 PolarHBondContact O-N 3.34Å |
| 1346 | D | 91.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 92.7 Ų | 92.7 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 176.4 | -75.5 | -31.2 | 0 | 0 | 0 | 111.6 | S1342 E1343 I1349 N1350 | S1342-D1346 PolarHBondContact O-N 3.07Å; E1343-D1346 PolarHBondContact O-N 3.41Å; D1346-I1349 PolarHBondContact O-N 3.09Å; D1346-N1350 WeakPolarHBondContact O-CB 3.39Å; D1346-N1350 VanDerWaalsContact O-CG 3.26Å; D1346-N1350 PolarHBondContact O-N 2.98Å; D1346-N1350 PolarHBondContact O-ND2 3.41Å |
| 1347 | Q | 92.8 | Very high | 91.8 | Very high | 95 Ų | 95 | 93.4 Ų | 93.4 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 171.4 | -72.8 | 175.2 | 24.4 | 0 | 0 | 111.8 | E1343 Q1344 V1345 N1350 Q1351 | E1343-Q1347 WeakPolarHBondContact O-CB 3.23Å; E1343-Q1347 VanDerWaalsContact O-CG 3.26Å; E1343-Q1347 WeakPolarHBondContact O-CG 3.39Å; E1343-Q1347 PolarHBondContact O-N 3.44Å; Q1344-Q1347 PolarHBondContact O-N 3.44Å; V1345-Q1347 VanDerWaalsContact C-N 3.31Å; V1345-Q1347 PolarHBondContact O-N 3.15Å; Q1347-N1350 PolarHBondContact O-N 3.18Å; Q1347-Q1351 WeakPolarHBondContact O-CG 3.4Å; Q1347-Q1351 PolarHBondContact O-N 3.4Å |
| 1348 | F | 93.5 | Very high | 92 | Very high | 126 Ų | 126 | 92.5 Ų | 92.5 | 55% | 0.553 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 175 | -71.9 | -47.5 | 0 | 0 | 0 | 112.6 | Q1344 V1345 N1350 Q1351 L1352 | Q1344-F1348 WeakPolarHBondContact O-CD2 3.21Å; Q1344-F1348 WeakPolarHBondContact O-CG 3.45Å; Q1344-F1348 PolarHBondContact O-N 2.79Å; V1345-F1348 PolarHBondContact O-N 3.16Å; V1345-F1348 VanDerWaalsContact O-N 3.16Å; F1348-N1350 VanDerWaalsContact C-N 3.33Å; F1348-N1350 PolarHBondContact O-N 2.85Å; F1348-Q1351 PolarHBondContact O-N 3.02Å; F1348-L1352 WeakPolarHBondContact O-CB 3.47Å; F1348-L1352 WeakPolarHBondContact O-CG 3.34Å; F1348-L1352 PolarHBondContact O-N 3.45Å |
| 1349 | I | 91.7 | Very high | 92.1 | Very high | 69 Ų | 69 | 93 Ų | 93 | 35% | 0.354 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.7 | -70.8 | 167.4 | 0 | 0 | 0 | 110.2 | V1345 D1346 L1352 R1353 | V1345-I1349 HydrophobicContact CG1-CD1 3.88Å; V1345-I1349 HydrophobicContact CG1-CG1 4.43Å; V1345-I1349 WeakPolarHBondContact O-CG1 3.48Å; V1345-I1349 PolarHBondContact O-N 3.34Å; D1346-I1349 PolarHBondContact O-N 3.09Å; I1349-L1352 PolarHBondContact O-N 2.92Å; I1349-R1353 WeakPolarHBondContact O-CB 3.17Å; I1349-R1353 WeakPolarHBondContact O-CG 3.22Å; I1349-R1353 PolarHBondContact O-N 3.42Å |
| 1350 | N | 91.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 177.5 | -72.5 | -29 | 0 | 0 | 0 | 112.2 | D1346 Q1347 F1348 R1353 S1354 | D1346-N1350 WeakPolarHBondContact O-CB 3.39Å; D1346-N1350 VanDerWaalsContact O-CG 3.26Å; D1346-N1350 PolarHBondContact O-N 2.98Å; D1346-N1350 PolarHBondContact O-ND2 3.41Å; Q1347-N1350 PolarHBondContact O-N 3.18Å; F1348-N1350 VanDerWaalsContact C-N 3.33Å; F1348-N1350 PolarHBondContact O-N 2.85Å; N1350-R1353 PolarHBondContact O-N 2.99Å; N1350-S1354 WeakPolarHBondContact O-CB 3.44Å; N1350-S1354 PolarHBondContact O-N 3.24Å |
| 1351 | Q | 93.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 173.5 | -72.9 | 177.2 | 8.5 | 0 | 0 | 112 | Q1347 F1348 S1354 K1355 | Q1347-Q1351 WeakPolarHBondContact O-CG 3.4Å; Q1347-Q1351 PolarHBondContact O-N 3.4Å; F1348-Q1351 PolarHBondContact O-N 3.02Å; Q1351-S1354 PolarHBondContact O-N 3.33Å; Q1351-K1355 WeakPolarHBondContact O-CB 3.45Å; Q1351-K1355 WeakPolarHBondContact O-CG 3.31Å; Q1351-K1355 PolarHBondContact O-N 3.31Å |
| 1352 | L | 93 | Very high | 92.2 | Very high | 123 Ų | 123 | 96.3 Ų | 96.3 | 64% | 0.644 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 175.1 | -75.9 | 172.5 | 0 | 0 | 0 | 111.7 | F1348 I1349 K1355 E1356 | F1348-L1352 WeakPolarHBondContact O-CB 3.47Å; F1348-L1352 WeakPolarHBondContact O-CG 3.34Å; F1348-L1352 PolarHBondContact O-N 3.45Å; I1349-L1352 PolarHBondContact O-N 2.92Å; L1352-K1355 PolarHBondContact O-N 3.23Å; L1352-E1356 WeakPolarHBondContact O-CB 3.35Å; L1352-E1356 PolarHBondContact O-N 3.01Å |
| 1353 | R | 93.1 | Very high | 92.3 | Very high | 174 Ų | 174 | 101.8 Ų | 101.8 | 66% | 0.657 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 174.1 | -74.3 | 174.7 | -178.2 | -103.4 | 1.6 | 111.7 | I1349 N1350 E1356 T1357 | I1349-R1353 WeakPolarHBondContact O-CB 3.17Å; I1349-R1353 WeakPolarHBondContact O-CG 3.22Å; I1349-R1353 PolarHBondContact O-N 3.42Å; N1350-R1353 PolarHBondContact O-N 2.99Å; R1353-E1356 PolarHBondContact O-N 3.22Å; R1353-T1357 WeakPolarHBondContact O-CG2 3.45Å; R1353-T1357 PolarHBondContact O-N 3.34Å; R1353-T1357 PolarHBondContact O-OG1 2.75Å |
| 1354 | S | 91.8 | Very high | 92.3 | Very high | 69 Ų | 69 | 100.6 Ų | 100.6 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.7 | 179 | 0 | 0 | 0 | 0 | 111.4 | N1350 Q1351 E1356 T1357 E1358 | N1350-S1354 WeakPolarHBondContact O-CB 3.44Å; N1350-S1354 PolarHBondContact O-N 3.24Å; Q1351-S1354 PolarHBondContact O-N 3.33Å; S1354-E1356 VanDerWaalsContact C-N 3.35Å; S1354-E1356 PolarHBondContact O-N 3.3Å; S1354-T1357 PolarHBondContact O-N 2.87Å; S1354-T1357 PolarHBondContact O-OG1 3.35Å; S1354-E1358 PolarHBondContact O-N 3.41Å |
| 1355 | K | 93 | Very high | 92.3 | Very high | 113 Ų | 113 | 99.3 Ų | 99.3 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 175.7 | -72.7 | -73.9 | 161.7 | -158.2 | 0 | 112.7 | Q1351 L1352 E1358 I1359 | Q1351-K1355 WeakPolarHBondContact O-CB 3.45Å; Q1351-K1355 WeakPolarHBondContact O-CG 3.31Å; Q1351-K1355 PolarHBondContact O-N 3.31Å; L1352-K1355 PolarHBondContact O-N 3.23Å; K1355-E1358 IonicContact NZ-OE1 2.69Å; K1355-E1358 IonicContact NZ-OE2 3.71Å; K1355-E1358 PolarHBondContact NZ-OE2 3.36Å; K1355-E1358 PolarHBondContact O-N 3.35Å; K1355-I1359 WeakPolarHBondContact O-CB 3.32Å; K1355-I1359 VanDerWaalsContact O-CG1 3.24Å; K1355-I1359 WeakPolarHBondContact O-CG1 3.49Å; K1355-I1359 PolarHBondContact O-N 2.89Å |
| 1356 | E | 93.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 43% | 0.425 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.5 | -179.4 | 56.1 | -145.7 | 0 | 0 | 111.1 | L1352 R1353 S1354 E1358 I1359 Q1360 | L1352-E1356 WeakPolarHBondContact O-CB 3.35Å; L1352-E1356 PolarHBondContact O-N 3.01Å; R1353-E1356 PolarHBondContact O-N 3.22Å; S1354-E1356 VanDerWaalsContact C-N 3.35Å; S1354-E1356 PolarHBondContact O-N 3.3Å; E1356-E1358 PolarHBondContact O-N 3.08Å; E1356-I1359 PolarHBondContact O-N 3.29Å; E1356-Q1360 WeakPolarHBondContact O-CG 3.29Å; E1356-Q1360 PolarHBondContact O-N 2.9Å; E1356-Q1360 PolarHBondContact OE1-NE2 2.98Å |
| 1357 | T | 90.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 100.5 Ų | 100.5 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.3 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | R1353 S1354 Q1360 L1361 | R1353-T1357 WeakPolarHBondContact O-CG2 3.45Å; R1353-T1357 PolarHBondContact O-N 3.34Å; R1353-T1357 PolarHBondContact O-OG1 2.75Å; S1354-T1357 PolarHBondContact O-N 2.87Å; S1354-T1357 PolarHBondContact O-OG1 3.35Å; T1357-Q1360 PolarHBondContact O-N 3.14Å; T1357-L1361 WeakPolarHBondContact O-CD1 3.27Å; T1357-L1361 PolarHBondContact O-N 3.26Å |
| 1358 | E | 93.4 | Very high | 92.2 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 175.1 | -173.6 | -176.4 | 179.5 | 0 | 0 | 111 | S1354 K1355 E1356 Q1360 L1361 L1362 | S1354-E1358 PolarHBondContact O-N 3.41Å; K1355-E1358 IonicContact NZ-OE1 2.69Å; K1355-E1358 IonicContact NZ-OE2 3.71Å; K1355-E1358 PolarHBondContact NZ-OE2 3.36Å; K1355-E1358 PolarHBondContact O-N 3.35Å; E1356-E1358 PolarHBondContact O-N 3.08Å; E1358-Q1360 VanDerWaalsContact C-N 3.33Å; E1358-Q1360 PolarHBondContact O-N 2.9Å; E1358-L1361 PolarHBondContact O-N 3.49Å; E1358-L1362 HydrophobicContact CG-CD1 4.29Å; E1358-L1362 WeakPolarHBondContact O-CB 3.38Å; E1358-L1362 VanDerWaalsContact O-CG 3.3Å; E1358-L1362 WeakPolarHBondContact O-CG 3.34Å; E1358-L1362 PolarHBondContact O-N 2.94Å |
| 1359 | I | 90.5 | Very high | 92.1 | Very high | 70 Ų | 70 | 100.7 Ų | 100.7 | 36% | 0.359 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176 | -70.4 | 165.9 | 0 | 0 | 0 | 110.8 | K1355 E1356 L1362 R1363 | K1355-I1359 WeakPolarHBondContact O-CB 3.32Å; K1355-I1359 VanDerWaalsContact O-CG1 3.24Å; K1355-I1359 WeakPolarHBondContact O-CG1 3.49Å; K1355-I1359 PolarHBondContact O-N 2.89Å; E1356-I1359 PolarHBondContact O-N 3.29Å; I1359-L1362 PolarHBondContact O-N 3.13Å; I1359-R1363 HydrophobicContact CG2-CG 4.43Å; I1359-R1363 WeakPolarHBondContact O-CB 3.19Å; I1359-R1363 VanDerWaalsContact O-CG 3.29Å; I1359-R1363 WeakPolarHBondContact O-CG 3.36Å; I1359-R1363 PolarHBondContact O-N 3.06Å |
| 1360 | Q | 93.2 | Very high | 92 | Very high | 106 Ų | 106 | 104.9 Ų | 104.9 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 176.6 | -73.1 | 176 | 22.6 | 0 | 0 | 112.2 | E1356 T1357 E1358 L1362 R1363 Q1364 | E1356-Q1360 WeakPolarHBondContact O-CG 3.29Å; E1356-Q1360 PolarHBondContact O-N 2.9Å; E1356-Q1360 PolarHBondContact OE1-NE2 2.98Å; T1357-Q1360 PolarHBondContact O-N 3.14Å; E1358-Q1360 VanDerWaalsContact C-N 3.33Å; E1358-Q1360 PolarHBondContact O-N 2.9Å; Q1360-L1362 PolarHBondContact O-N 3.24Å; Q1360-R1363 PolarHBondContact O-N 3.34Å; Q1360-Q1364 WeakPolarHBondContact O-CB 3.4Å; Q1360-Q1364 PolarHBondContact O-N 3.21Å |
| 1361 | L | 92.1 | Very high | 92 | Very high | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 174.9 | -81.7 | 155.8 | 0 | 0 | 0 | 112.1 | T1357 E1358 Q1364 S1365 | T1357-L1361 WeakPolarHBondContact O-CD1 3.27Å; T1357-L1361 PolarHBondContact O-N 3.26Å; E1358-L1361 PolarHBondContact O-N 3.49Å; L1361-Q1364 PolarHBondContact O-N 3.4Å; L1361-S1365 WeakPolarHBondContact O-CB 3.31Å; L1361-S1365 PolarHBondContact O-N 2.83Å; L1361-S1365 PolarHBondContact O-OG 2.94Å |
| 1362 | L | 92 | Very high | 91.8 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 175.7 | -73.2 | 171.3 | 0 | 0 | 0 | 111.7 | E1358 I1359 Q1360 S1365 L1366 | E1358-L1362 HydrophobicContact CG-CD1 4.29Å; E1358-L1362 WeakPolarHBondContact O-CB 3.38Å; E1358-L1362 VanDerWaalsContact O-CG 3.3Å; E1358-L1362 WeakPolarHBondContact O-CG 3.34Å; E1358-L1362 PolarHBondContact O-N 2.94Å; I1359-L1362 PolarHBondContact O-N 3.13Å; Q1360-L1362 PolarHBondContact O-N 3.24Å; L1362-S1365 PolarHBondContact O-N 3.23Å; L1362-L1366 WeakPolarHBondContact O-CB 3.41Å; L1362-L1366 PolarHBondContact O-N 3.33Å |
| 1363 | R | 92.7 | Very high | 91.7 | Very high | 166 Ų | 166 | 101.9 Ų | 101.9 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.3 | -47.6 | 174.2 | -73.6 | 177.2 | -174.4 | -154.6 | 4.9 | 111.4 | I1359 Q1360 S1365 L1366 D1367 | I1359-R1363 HydrophobicContact CG2-CG 4.43Å; I1359-R1363 WeakPolarHBondContact O-CB 3.19Å; I1359-R1363 VanDerWaalsContact O-CG 3.29Å; I1359-R1363 WeakPolarHBondContact O-CG 3.36Å; I1359-R1363 PolarHBondContact O-N 3.06Å; Q1360-R1363 PolarHBondContact O-N 3.34Å; R1363-S1365 VanDerWaalsContact C-N 3.31Å; R1363-S1365 PolarHBondContact O-N 3.25Å; R1363-L1366 WeakPolarHBondContact O-CB 3.21Å; R1363-L1366 PolarHBondContact O-N 2.87Å; R1363-L1366 VanDerWaalsContact O-N 3.16Å; R1363-D1367 PolarHBondContact O-N 3.14Å |
| 1364 | Q | 91.7 | Very high | 91.5 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 178 | -163.2 | -169.8 | 39 | 0 | 0 | 112.1 | Q1360 L1361 D1367 R1368 | Q1360-Q1364 WeakPolarHBondContact O-CB 3.4Å; Q1360-Q1364 PolarHBondContact O-N 3.21Å; L1361-Q1364 PolarHBondContact O-N 3.4Å; Q1364-D1367 PolarHBondContact O-N 2.9Å; Q1364-R1368 VanDerWaalsContact CD-CZ 3.42Å; Q1364-R1368 WeakPolarHBondContact O-CG 3.35Å; Q1364-R1368 PolarHBondContact O-N 3.44Å |
| 1365 | S | 91.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 98.2 Ų | 98.2 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L1361 L1362 R1363 R1368 T1369 | L1361-S1365 WeakPolarHBondContact O-CB 3.31Å; L1361-S1365 PolarHBondContact O-N 2.83Å; L1361-S1365 PolarHBondContact O-OG 2.94Å; L1362-S1365 PolarHBondContact O-N 3.23Å; R1363-S1365 VanDerWaalsContact C-N 3.31Å; R1363-S1365 PolarHBondContact O-N 3.25Å; S1365-R1368 PolarHBondContact O-N 3.24Å; S1365-T1369 WeakPolarHBondContact O-CG2 3.44Å; S1365-T1369 PolarHBondContact O-N 2.89Å; S1365-T1369 VanDerWaalsContact O-N 3.07Å; S1365-T1369 PolarHBondContact O-OG1 3.25Å |
| 1366 | L | 90.2 | Very high | 91 | Very high | 83 Ų | 83 | 98.9 Ų | 98.9 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | -168.4 | 151.2 | 0 | 0 | 0 | 111.3 | L1362 R1363 T1369 R1370 | L1362-L1366 WeakPolarHBondContact O-CB 3.41Å; L1362-L1366 PolarHBondContact O-N 3.33Å; R1363-L1366 WeakPolarHBondContact O-CB 3.21Å; R1363-L1366 PolarHBondContact O-N 2.87Å; R1363-L1366 VanDerWaalsContact O-N 3.16Å; L1366-T1369 PolarHBondContact O-N 3.36Å; L1366-T1369 PolarHBondContact O-OG1 3.43Å; L1366-R1370 HydrophobicContact CD2-CG 4.36Å; L1366-R1370 PolarHBondContact O-N 3.04Å |
| 1367 | D | 92.4 | Very high | 90.7 | Very high | 85 Ų | 85 | 99.9 Ų | 99.9 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.1 | -69.9 | -26.4 | 0 | 0 | 0 | 112 | R1363 Q1364 T1369 R1370 E1371 | R1363-D1367 PolarHBondContact O-N 3.14Å; Q1364-D1367 PolarHBondContact O-N 2.9Å; D1367-T1369 VanDerWaalsContact C-N 3.31Å; D1367-T1369 PolarHBondContact O-N 3.41Å; D1367-R1370 WeakPolarHBondContact O-CB 3.5Å; D1367-R1370 PolarHBondContact O-N 3.01Å; D1367-E1371 PolarHBondContact O-N 2.88Å |
| 1368 | R | 91.3 | Very high | 90.5 | Very high | 131 Ų | 131 | 104.1 Ų | 104.1 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 172.7 | -72.6 | 177 | -174.5 | 115.8 | -2.6 | 112.3 | Q1364 S1365 E1371 A1372 | Q1364-R1368 VanDerWaalsContact CD-CZ 3.42Å; Q1364-R1368 WeakPolarHBondContact O-CG 3.35Å; Q1364-R1368 PolarHBondContact O-N 3.44Å; S1365-R1368 PolarHBondContact O-N 3.24Å; R1368-E1371 PolarHBondContact O-N 2.99Å; R1368-A1372 WeakPolarHBondContact O-CB 3.39Å; R1368-A1372 PolarHBondContact O-N 3.29Å |
| 1369 | T | 89.8 | Confident | 89.7 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.8 | -36.4 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | S1365 L1366 D1367 L1373 | S1365-T1369 WeakPolarHBondContact O-CG2 3.44Å; S1365-T1369 PolarHBondContact O-N 2.89Å; S1365-T1369 VanDerWaalsContact O-N 3.07Å; S1365-T1369 PolarHBondContact O-OG1 3.25Å; L1366-T1369 PolarHBondContact O-N 3.36Å; L1366-T1369 PolarHBondContact O-OG1 3.43Å; D1367-T1369 VanDerWaalsContact C-N 3.31Å; D1367-T1369 PolarHBondContact O-N 3.41Å; T1369-L1373 WeakPolarHBondContact O-CB 3.26Å; T1369-L1373 PolarHBondContact O-N 2.96Å |
| 1370 | R | 90.8 | Very high | 88.9 | Confident | 156 Ų | 156 | 104.2 Ų | 104.2 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 172.1 | -88.3 | -173.8 | 175.4 | 133.8 | 1.6 | 112.3 | L1366 D1367 L1373 L1374 | L1366-R1370 HydrophobicContact CD2-CG 4.36Å; L1366-R1370 PolarHBondContact O-N 3.04Å; D1367-R1370 WeakPolarHBondContact O-CB 3.5Å; D1367-R1370 PolarHBondContact O-N 3.01Å; R1370-L1373 PolarHBondContact O-N 2.98Å; R1370-L1374 WeakPolarHBondContact O-CG 3.41Å; R1370-L1374 PolarHBondContact O-N 2.98Å |
| 1371 | E | 90.8 | Very high | 88.2 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 177.4 | -76.6 | -171.1 | 161.1 | 0 | 0 | 112 | D1367 R1368 L1373 L1374 N1375 | D1367-E1371 PolarHBondContact O-N 2.88Å; R1368-E1371 PolarHBondContact O-N 2.99Å; E1371-L1373 VanDerWaalsContact C-N 3.33Å; E1371-L1373 PolarHBondContact O-N 2.99Å; E1371-L1374 PolarHBondContact O-N 3.27Å; E1371-N1375 WeakPolarHBondContact O-CB 3.47Å; E1371-N1375 PolarHBondContact O-N 3.46Å |
| 1372 | A | 91.4 | Very high | 87.3 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1368 N1375 E1376 | R1368-A1372 WeakPolarHBondContact O-CB 3.39Å; R1368-A1372 PolarHBondContact O-N 3.29Å; A1372-N1375 PolarHBondContact O-N 3.27Å; A1372-E1376 PolarHBondContact O-N 3.2Å |
| 1373 | L | 89.8 | Confident | 86.1 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.7 | -173.8 | 147.8 | 0 | 0 | 0 | 112.3 | T1369 R1370 E1371 E1376 Q1377 | T1369-L1373 WeakPolarHBondContact O-CB 3.26Å; T1369-L1373 PolarHBondContact O-N 2.96Å; R1370-L1373 PolarHBondContact O-N 2.98Å; E1371-L1373 VanDerWaalsContact C-N 3.33Å; E1371-L1373 PolarHBondContact O-N 2.99Å; L1373-E1376 PolarHBondContact O-N 3.26Å; L1373-Q1377 HydrophobicContact CD2-CG 4.29Å; L1373-Q1377 WeakPolarHBondContact O-CG 3.26Å; L1373-Q1377 PolarHBondContact O-N 2.87Å |
| 1374 | L | 89.3 | Confident | 85.1 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.5 | -78.8 | 172.2 | 0 | 0 | 0 | 112 | R1370 E1371 Q1377 R1378 | R1370-L1374 WeakPolarHBondContact O-CG 3.41Å; R1370-L1374 PolarHBondContact O-N 2.98Å; E1371-L1374 PolarHBondContact O-N 3.27Å; L1374-Q1377 PolarHBondContact O-N 2.89Å; L1374-R1378 VanDerWaalsContact O-CG 3.3Å; L1374-R1378 WeakPolarHBondContact O-CG 3.33Å; L1374-R1378 PolarHBondContact O-N 3.05Å |
| 1375 | N | 86 | Confident | 83.8 | Confident | 84 Ų | 84 | 104.2 Ų | 104.2 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 176.1 | -78.2 | -17.8 | 0 | 0 | 0 | 112 | E1371 A1372 R1378 S1379 | E1371-N1375 WeakPolarHBondContact O-CB 3.47Å; E1371-N1375 PolarHBondContact O-N 3.46Å; A1372-N1375 PolarHBondContact O-N 3.27Å; N1375-R1378 PolarHBondContact O-N 3.45Å; N1375-S1379 WeakPolarHBondContact O-CB 3.43Å; N1375-S1379 PolarHBondContact O-N 3.36Å; N1375-S1379 PolarHBondContact O-OG 2.99Å |
| 1376 | E | 87.5 | Confident | 82.4 | Confident | 128 Ų | 128 | 105.1 Ų | 105.1 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -44.4 | 174 | -162.1 | 179.5 | -172.3 | 0 | 0 | 111.2 | A1372 L1373 R1378 S1379 I1380 | A1372-E1376 PolarHBondContact O-N 3.2Å; L1373-E1376 PolarHBondContact O-N 3.26Å; E1376-R1378 PolarHBondContact O-N 3Å; E1376-S1379 WeakPolarHBondContact O-CB 3.31Å; E1376-S1379 PolarHBondContact O-N 2.95Å; E1376-I1380 HydrophobicContact CG-CD1 4.25Å; E1376-I1380 WeakPolarHBondContact O-CG1 3.33Å; E1376-I1380 PolarHBondContact O-N 3.35Å |
| 1377 | Q | 87.6 | Confident | 80.7 | Confident | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 174.1 | -75.9 | -176.4 | -0.2 | 0 | 0 | 112.8 | L1373 L1374 S1379 I1380 A1381 | L1373-Q1377 HydrophobicContact CD2-CG 4.29Å; L1373-Q1377 WeakPolarHBondContact O-CG 3.26Å; L1373-Q1377 PolarHBondContact O-N 2.87Å; L1374-Q1377 PolarHBondContact O-N 2.89Å; Q1377-S1379 VanDerWaalsContact C-N 3.31Å; Q1377-S1379 PolarHBondContact O-N 3.5Å; Q1377-I1380 PolarHBondContact O-N 3.28Å; Q1377-A1381 WeakPolarHBondContact O-CB 3.4Å; Q1377-A1381 PolarHBondContact O-N 3.28Å |
| 1378 | R | 86.5 | Confident | 78.6 | Confident | 163 Ų | 163 | 114 Ų | 114 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.9 | -41.1 | 174.6 | -72.7 | 177.2 | -151.7 | -178.1 | 8.1 | 111.4 | L1374 N1375 E1376 A1381 A1382 | L1374-R1378 VanDerWaalsContact O-CG 3.3Å; L1374-R1378 WeakPolarHBondContact O-CG 3.33Å; L1374-R1378 PolarHBondContact O-N 3.05Å; N1375-R1378 PolarHBondContact O-N 3.45Å; E1376-R1378 PolarHBondContact O-N 3Å; R1378-A1381 PolarHBondContact O-N 2.91Å; R1378-A1382 WeakPolarHBondContact O-CB 3.48Å; R1378-A1382 PolarHBondContact O-N 3.5Å |
| 1379 | S | 76.3 | Confident | 76.2 | Confident | 70 Ų | 70 | 111.9 Ų | 111.9 | 49% | 0.49 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.6 | -43.8 | 178.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | N1375 E1376 Q1377 A1382 F1383 | N1375-S1379 WeakPolarHBondContact O-CB 3.43Å; N1375-S1379 PolarHBondContact O-N 3.36Å; N1375-S1379 PolarHBondContact O-OG 2.99Å; E1376-S1379 WeakPolarHBondContact O-CB 3.31Å; E1376-S1379 PolarHBondContact O-N 2.95Å; Q1377-S1379 VanDerWaalsContact C-N 3.31Å; Q1377-S1379 PolarHBondContact O-N 3.5Å; S1379-A1382 PolarHBondContact O-N 3.29Å; S1379-F1383 PolarHBondContact O-N 3.24Å |
| 1380 | I | 75.4 | Confident | 73.8 | Confident | 88 Ų | 88 | 113.3 Ų | 113.3 | 45% | 0.451 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -41.6 | 174.8 | -66.7 | 165.8 | 0 | 0 | 0 | 110.9 | E1376 Q1377 F1383 K1384 | E1376-I1380 HydrophobicContact CG-CD1 4.25Å; E1376-I1380 WeakPolarHBondContact O-CG1 3.33Å; E1376-I1380 PolarHBondContact O-N 3.35Å; Q1377-I1380 PolarHBondContact O-N 3.28Å; I1380-F1383 PolarHBondContact O-N 3.13Å; I1380-K1384 HydrophobicContact CG2-CD 4.49Å; I1380-K1384 WeakPolarHBondContact O-CG 3.29Å; I1380-K1384 PolarHBondContact O-N 2.87Å |
| 1381 | A | 76.8 | Confident | 71.2 | Confident | 46 Ų | 46 | 111.9 Ų | 111.9 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1377 R1378 K1384 K1385 | Q1377-A1381 WeakPolarHBondContact O-CB 3.4Å; Q1377-A1381 PolarHBondContact O-N 3.28Å; R1378-A1381 PolarHBondContact O-N 2.91Å; A1381-K1384 PolarHBondContact O-N 3.48Å; A1381-K1385 WeakPolarHBondContact O-CG 3.4Å; A1381-K1385 PolarHBondContact O-N 2.82Å |
| 1382 | A | 73 | Confident | 68.2 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1378 S1379 K1384 K1385 S1386 | R1378-A1382 WeakPolarHBondContact O-CB 3.48Å; R1378-A1382 PolarHBondContact O-N 3.5Å; S1379-A1382 PolarHBondContact O-N 3.29Å; A1382-K1384 PolarHBondContact O-N 3.31Å; A1382-K1385 PolarHBondContact O-N 3.46Å; A1382-S1386 PolarHBondContact O-N 2.95Å |
| 1383 | F | 68.1 | Low | 65.5 | Low | 161 Ų | 161 | 114.9 Ų | 114.9 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.9 | -46.1 | 173.9 | -108.9 | -82.1 | 0 | 0 | 0 | 112.2 | S1379 I1380 K1385 S1386 R1387 | S1379-F1383 PolarHBondContact O-N 3.24Å; I1380-F1383 PolarHBondContact O-N 3.13Å; F1383-K1385 PolarHBondContact O-N 3.45Å; F1383-S1386 PolarHBondContact O-N 3.39Å; F1383-S1386 PolarHBondContact O-OG 3.19Å; F1383-R1387 PolarHBondContact O-N 2.87Å |
| 1384 | K | 71.2 | Confident | 62.8 | Low | 146 Ų | 146 | 118.4 Ų | 118.4 | 64% | 0.635 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.5 | -39.3 | 176.5 | -78.5 | -176.2 | 176.8 | 179.7 | 0 | 112.6 | I1380 A1381 A1382 R1387 N1388 | I1380-K1384 HydrophobicContact CG2-CD 4.49Å; I1380-K1384 WeakPolarHBondContact O-CG 3.29Å; I1380-K1384 PolarHBondContact O-N 2.87Å; A1381-K1384 PolarHBondContact O-N 3.48Å; A1382-K1384 PolarHBondContact O-N 3.31Å; K1384-R1387 PolarHBondContact O-N 3.36Å; K1384-N1388 PolarHBondContact O-N 2.84Å |
| 1385 | K | 65.3 | Low | 59.8 | Low | 167 Ų | 167 | 120.9 Ų | 120.9 | 73% | 0.726 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.3 | -41.1 | 175.8 | -77.9 | -176.6 | 177.4 | -176.6 | 0 | 112.1 | A1381 A1382 F1383 R1387 N1388 | A1381-K1385 WeakPolarHBondContact O-CG 3.4Å; A1381-K1385 PolarHBondContact O-N 2.82Å; A1382-K1385 PolarHBondContact O-N 3.46Å; F1383-K1385 PolarHBondContact O-N 3.45Å; K1385-R1387 PolarHBondContact O-N 3.5Å; K1385-N1388 PolarHBondContact O-N 2.96Å |
| 1386 | S | 60.3 | Low | 57 | Low | 76 Ų | 76 | 121.7 Ų | 121.7 | 53% | 0.531 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.1 | -30.3 | 176.8 | 80.2 | 0 | 0 | 0 | 0 | 113 | A1382 F1383 N1388 S1389 | A1382-S1386 PolarHBondContact O-N 2.95Å; F1383-S1386 PolarHBondContact O-N 3.39Å; F1383-S1386 PolarHBondContact O-OG 3.19Å; S1386-N1388 VanDerWaalsContact C-N 3.33Å; S1386-N1388 PolarHBondContact O-N 3.43Å; S1386-S1389 PolarHBondContact O-OG 2.89Å |
| 1387 | R | 54.7 | Low | 54.4 | Low | 209 Ų | 209 | 121.5 Ų | 121.5 | 79% | 0.789 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.2 | -16.3 | -178.8 | -167 | 169.1 | 164 | 175.4 | -4.8 | 113.5 | F1383 K1384 K1385 | F1383-R1387 PolarHBondContact O-N 2.87Å; K1384-R1387 PolarHBondContact O-N 3.36Å; K1385-R1387 PolarHBondContact O-N 3.5Å |
| 1388 | N | 48.8 | Very low | 51.4 | Low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 3.5 | -178.2 | -75 | 7.3 | 0 | 0 | 0 | 114 | K1384 K1385 S1386 | K1384-N1388 PolarHBondContact O-N 2.84Å; K1385-N1388 PolarHBondContact O-N 2.96Å; S1386-N1388 VanDerWaalsContact C-N 3.33Å; S1386-N1388 PolarHBondContact O-N 3.43Å |
| 1389 | S | 41.9 | Very low | 48.8 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | trans | -109.1 | 69.6 | 174.9 | 62 | 0 | 0 | 0 | 0 | 111.4 | S1386 | S1386-S1389 PolarHBondContact O-OG 2.89Š| ||
| 1390 | T | 38.7 | Very low | 46.5 | Very low | 124 Ų | 124 | 128 Ų | 128 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | trans | -126.3 | 118.1 | 158.8 | 29 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1391 | P | 35.2 | Very low | 44.2 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -68.9 | 141.9 | -179.4 | -14.3 | 28 | 0 | 0 | 0 | 112.4 | S1393 | P1391-S1393 PolarHBondContact O-N 3.17Š| ||
| 1392 | T | 29.3 | Very low | 42.1 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | trans | -62.2 | 109.1 | 170.6 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1393 | S | 34.2 | Very low | 40.1 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -146 | 124 | 156.2 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | P1391 | P1391-S1393 PolarHBondContact O-N 3.17Š| ||
| 1394 | N | 32.2 | Very low | 38.2 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | 82 | 105.3 | 158.7 | -61.6 | -13.4 | 0 | 0 | 0 | 118.6 | ||||
| 1395 | V | 27.2 | Very low | 36 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -73.4 | 149.6 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1396 | S | 28.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 68.4 | 112.4 | 154.3 | 60.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1397 | S | 31.1 | Very low | 32.8 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -172.1 | 118 | 105.1 | -78.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1398 | I | 26.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 143 Ų | 143 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -68.1 | 130.2 | 172.1 | -68.1 | 157.6 | 0 | 0 | 0 | 109.4 | ||||
| 1399 | K | 30.9 | Very low | 30.9 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -155.5 | 95.2 | 148.2 | -120 | 175 | -175.9 | 178.3 | 0 | 110.6 | I1401 | K1399-I1401 PolarHBondContact O-N 2.92Š| ||
| 1400 | V | 27 | Very low | 30.2 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -67.9 | 107.4 | 162.7 | 176.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1401 | I | 28.5 | Very low | 29.8 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 66% | 0.656 | 82% | 0.82 | S | S | * | * | trans | -117.9 | 119 | 164.5 | -62.2 | 177.5 | 0 | 0 | 0 | 106.4 | K1399 P1403 | K1399-I1401 PolarHBondContact O-N 2.92Å; I1401-P1403 WeakPolarHBondContact O-CD 3.48Å | ||
| 1402 | P | 32 | Very low | 29.8 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -88.6 | 122.8 | 177.4 | 31.7 | -27.4 | 0 | 0 | 0 | 110.4 | ||||
| 1403 | P | 31.1 | Very low | 30.3 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | -114 | 109.6 | 168.5 | 26.5 | -7.1 | 0 | 0 | 0 | 110.9 | I1401 | I1401-P1403 WeakPolarHBondContact O-CD 3.48Š| ||
| 1404 | Q | 27.5 | Very low | 30.7 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | 53.1 | 105.9 | 126.2 | -62.9 | -176.6 | -16.8 | 0 | 0 | 119.2 | K1406 | Q1404-K1406 PolarHBondContact O-N 3.4Š| |||
| 1405 | K | 26.7 | Very low | 31.4 | Very low | 216 Ų | 216 | 154.2 Ų | 154.2 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -21.5 | 115.9 | 146 | -65.3 | 174.2 | 176.1 | 178.5 | 0 | 113.3 | ||||
| 1406 | K | 30.4 | Very low | 32.5 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -116.4 | 131 | 152.5 | -82.2 | -172.4 | 177.8 | 179.2 | 0 | 109.6 | Q1404 | Q1404-K1406 PolarHBondContact O-N 3.4Š| ||
| 1407 | Q | 28 | Very low | 33.5 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.7 | -173.6 | -67.5 | 162.8 | -29.7 | 0 | 0 | 111.7 | ||
| 1408 | P | 33.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 123.1 | 170.6 | 3.1 | 14.1 | 0 | 0 | 0 | 109.3 | ||
| 1409 | R | 28.2 | Very low | 36.5 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.2 | 166.1 | -78.7 | 179.8 | 171.8 | -176.5 | -3.6 | 109.4 | ||
| 1410 | Q | 28.5 | Very low | 38.1 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.8 | 175.5 | -65.6 | 163.5 | -33.7 | 0 | 0 | 110.8 | ||
| 1411 | S | 29.8 | Very low | 40.1 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -170.5 | 131 | 146.8 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1412 | S | 35.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 111.2 | 164.1 | 57.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1413 | N | 39.1 | Very low | 44.2 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | -95.1 | 21.1 | -167.5 | -140.3 | 21.4 | 0 | 0 | 0 | 114.2 | ||||
| 1414 | E | 43 | Very low | 46.5 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -95.7 | -15 | -171 | -71.8 | -171.6 | 162.8 | 0 | 0 | 114.9 | ||
| 1415 | Q | 46.7 | Very low | 49 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -79.5 | -31.4 | -178.3 | -139.2 | 98.4 | -18.1 | 0 | 0 | 112.6 | K1418 E1419 | Q1415-K1418 PolarHBondContact O-N 3.47Å; Q1415-E1419 PolarHBondContact O-N 3.45Å |
| 1416 | S | 49.6 | Very low | 51.5 | Low | 65 Ų | 65 | 141.4 Ų | 141.4 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -68.2 | -41.7 | -178.2 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | K1418 E1419 Q1420 | S1416-K1418 VanDerWaalsContact C-N 3.31Å; S1416-K1418 PolarHBondContact O-N 2.96Å; S1416-E1419 PolarHBondContact O-N 3.44Å; S1416-Q1420 WeakPolarHBondContact O-CB 3.35Å; S1416-Q1420 PolarHBondContact O-N 3.11Å |
| 1417 | D | 50.4 | Low | 53.9 | Low | 93 Ų | 93 | 137.6 Ų | 137.6 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.3 | -32.9 | 179.3 | -81.9 | -6.5 | 0 | 0 | 0 | 112.1 | R1421 | D1417-R1421 VanDerWaalsContact O-CB 3.26Å; D1417-R1421 WeakPolarHBondContact O-CB 3.45Å; D1417-R1421 WeakPolarHBondContact O-CG 3.28Å; D1417-R1421 PolarHBondContact O-N 3.02Å |
| 1418 | K | 58.8 | Low | 56.5 | Low | 148 Ų | 148 | 133.8 Ų | 133.8 | 64% | 0.643 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.8 | -49.3 | 172.7 | -91.6 | -178.6 | 177.3 | 172.3 | 0 | 111.4 | Q1415 S1416 Q1420 R1421 Q1422 | Q1415-K1418 PolarHBondContact O-N 3.47Å; S1416-K1418 VanDerWaalsContact C-N 3.31Å; S1416-K1418 PolarHBondContact O-N 2.96Å; K1418-Q1420 VanDerWaalsContact C-N 3.32Å; K1418-Q1420 PolarHBondContact O-N 3.21Å; K1418-R1421 PolarHBondContact O-N 3.4Å; K1418-Q1422 WeakPolarHBondContact O-CB 3.45Å; K1418-Q1422 PolarHBondContact O-N 3.01Å |
| 1419 | E | 60.5 | Low | 58.9 | Low | 121 Ų | 121 | 134.2 Ų | 134.2 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.7 | -39.9 | 177.3 | -92.8 | -163.9 | 138.4 | 0 | 0 | 112.3 | Q1415 S1416 Q1422 R1423 | Q1415-E1419 PolarHBondContact O-N 3.45Å; S1416-E1419 PolarHBondContact O-N 3.44Å; E1419-Q1422 PolarHBondContact O-N 3.4Å; E1419-R1423 WeakPolarHBondContact O-CB 3.47Å; E1419-R1423 VanDerWaalsContact O-CG 3.32Å; E1419-R1423 WeakPolarHBondContact O-CG 3.47Å; E1419-R1423 PolarHBondContact O-N 3.45Å |
| 1420 | Q | 64.7 | Low | 61.5 | Low | 117 Ų | 117 | 127.5 Ų | 127.5 | 55% | 0.547 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.1 | -35.6 | -179.2 | -159.8 | 156.5 | -1.7 | 0 | 0 | 112.3 | S1416 K1418 K1424 | S1416-Q1420 WeakPolarHBondContact O-CB 3.35Å; S1416-Q1420 PolarHBondContact O-N 3.11Å; K1418-Q1420 VanDerWaalsContact C-N 3.32Å; K1418-Q1420 PolarHBondContact O-N 3.21Å; Q1420-K1424 PolarHBondContact O-N 3.44Å |
| 1421 | R | 68.2 | Low | 64.4 | Low | 180 Ų | 180 | 125.2 Ų | 125.2 | 68% | 0.679 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.8 | -43.3 | 168.6 | -74.5 | 174.2 | -172.4 | -122.2 | 4.3 | 111.2 | D1417 K1418 R1423 K1424 V1425 | D1417-R1421 VanDerWaalsContact O-CB 3.26Å; D1417-R1421 WeakPolarHBondContact O-CB 3.45Å; D1417-R1421 WeakPolarHBondContact O-CG 3.28Å; D1417-R1421 PolarHBondContact O-N 3.02Å; K1418-R1421 PolarHBondContact O-N 3.4Å; R1421-R1423 VanDerWaalsContact C-N 3.34Å; R1421-R1423 PolarHBondContact O-N 3.13Å; R1421-K1424 PolarHBondContact O-N 2.83Å; R1421-V1425 VanDerWaalsContact O-CG2 3.27Å; R1421-V1425 WeakPolarHBondContact O-CG2 3.24Å; R1421-V1425 PolarHBondContact O-N 3.42Å |
| 1422 | Q | 72.1 | Confident | 66.9 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60 | -45.4 | 177.1 | -139 | 102 | 23.2 | 0 | 0 | 110.8 | K1418 E1419 V1425 T1426 | K1418-Q1422 WeakPolarHBondContact O-CB 3.45Å; K1418-Q1422 PolarHBondContact O-N 3.01Å; E1419-Q1422 PolarHBondContact O-N 3.4Å; Q1422-V1425 PolarHBondContact O-N 3.19Å; Q1422-T1426 WeakPolarHBondContact O-CG2 3.5Å; Q1422-T1426 PolarHBondContact O-N 2.92Å; Q1422-T1426 PolarHBondContact O-OG1 2.86Å; Q1422-T1426 VanDerWaalsContact O-OG1 3.1Å |
| 1423 | R | 74.9 | Confident | 69.4 | Low | 166 Ų | 166 | 129.3 Ų | 129.3 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.9 | -43.7 | 177.8 | -74.5 | 179.1 | -172.6 | -165.3 | 5.8 | 112.4 | E1419 R1421 T1426 Q1427 | E1419-R1423 WeakPolarHBondContact O-CB 3.47Å; E1419-R1423 VanDerWaalsContact O-CG 3.32Å; E1419-R1423 WeakPolarHBondContact O-CG 3.47Å; E1419-R1423 PolarHBondContact O-N 3.45Å; R1421-R1423 VanDerWaalsContact C-N 3.34Å; R1421-R1423 PolarHBondContact O-N 3.13Å; R1423-T1426 VanDerWaalsContact CA-OG1 3.3Å; R1423-T1426 WeakPolarHBondContact CA-OG1 3.25Å; R1423-T1426 PolarHBondContact O-N 3.36Å; R1423-T1426 PolarHBondContact O-OG1 2.98Å; R1423-Q1427 PolarHBondContact O-N 3.43Å |
| 1424 | K | 79.4 | Confident | 71.9 | Confident | 141 Ų | 141 | 126.7 Ų | 126.7 | 61% | 0.613 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.6 | -47.1 | 174 | -85.3 | -173.7 | 173.9 | -177.2 | 0 | 111.8 | Q1420 R1421 T1426 Q1427 E1428 | Q1420-K1424 PolarHBondContact O-N 3.44Å; R1421-K1424 PolarHBondContact O-N 2.83Å; K1424-T1426 VanDerWaalsContact C-N 3.31Å; K1424-T1426 PolarHBondContact O-N 2.94Å; K1424-Q1427 PolarHBondContact O-N 2.95Å; K1424-E1428 WeakPolarHBondContact O-CB 3.28Å; K1424-E1428 PolarHBondContact O-N 3.41Å |
| 1425 | V | 81.1 | Confident | 74 | Confident | 79 Ų | 79 | 127.3 Ų | 127.3 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -40.2 | 177.7 | 172 | 0 | 0 | 0 | 0 | 111.4 | R1421 Q1422 E1428 K1429 | R1421-V1425 VanDerWaalsContact O-CG2 3.27Å; R1421-V1425 WeakPolarHBondContact O-CG2 3.24Å; R1421-V1425 PolarHBondContact O-N 3.42Å; Q1422-V1425 PolarHBondContact O-N 3.19Å; V1425-E1428 PolarHBondContact O-N 3.14Å; V1425-K1429 HydrophobicContact CG1-CD 4.47Å; V1425-K1429 WeakPolarHBondContact O-CB 3.4Å; V1425-K1429 WeakPolarHBondContact O-CG 3.33Å; V1425-K1429 PolarHBondContact O-N 3.38Å |
| 1426 | T | 78 | Confident | 76 | Confident | 74 Ų | 74 | 125.1 Ų | 125.1 | 45% | 0.454 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -38.9 | 175.8 | 49 | 0 | 0 | 0 | 0 | 112.9 | Q1422 R1423 K1424 E1428 K1429 L1430 | Q1422-T1426 WeakPolarHBondContact O-CG2 3.5Å; Q1422-T1426 PolarHBondContact O-N 2.92Å; Q1422-T1426 PolarHBondContact O-OG1 2.86Å; Q1422-T1426 VanDerWaalsContact O-OG1 3.1Å; R1423-T1426 VanDerWaalsContact CA-OG1 3.3Å; R1423-T1426 WeakPolarHBondContact CA-OG1 3.25Å; R1423-T1426 PolarHBondContact O-N 3.36Å; R1423-T1426 PolarHBondContact O-OG1 2.98Å; K1424-T1426 VanDerWaalsContact C-N 3.31Å; K1424-T1426 PolarHBondContact O-N 2.94Å; T1426-E1428 VanDerWaalsContact C-N 3.34Å; T1426-K1429 PolarHBondContact O-N 3.19Å; T1426-L1430 PolarHBondContact O-N 3.45Å |
| 1427 | Q | 82.4 | Confident | 78 | Confident | 124 Ų | 124 | 126 Ų | 126 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.2 | -38.5 | 174.9 | -105.1 | -177.4 | -16.8 | 0 | 0 | 111.9 | R1423 K1424 L1430 K1431 | R1423-Q1427 PolarHBondContact O-N 3.43Å; K1424-Q1427 PolarHBondContact O-N 2.95Å; Q1427-L1430 WeakPolarHBondContact O-CB 3.28Å; Q1427-L1430 PolarHBondContact O-N 3.38Å; Q1427-K1431 WeakPolarHBondContact O-CG 3.47Å; Q1427-K1431 PolarHBondContact O-N 3.19Å |
| 1428 | E | 81.6 | Confident | 79.9 | Confident | 108 Ų | 108 | 125.8 Ų | 125.8 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.4 | -35.4 | -179.6 | -159.8 | 144.7 | -167.8 | 0 | 0 | 111.9 | K1424 V1425 T1426 L1430 K1431 R1432 | K1424-E1428 WeakPolarHBondContact O-CB 3.28Å; K1424-E1428 PolarHBondContact O-N 3.41Å; V1425-E1428 PolarHBondContact O-N 3.14Å; T1426-E1428 VanDerWaalsContact C-N 3.34Å; E1428-L1430 VanDerWaalsContact C-N 3.34Å; E1428-K1431 PolarHBondContact O-N 3.45Å; E1428-R1432 WeakPolarHBondContact O-CG 3.35Å; E1428-R1432 PolarHBondContact O-N 2.82Å |
| 1429 | K | 84.2 | Confident | 81.5 | Confident | 136 Ų | 136 | 121.4 Ų | 121.4 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62 | -39.6 | 167.9 | -77.2 | -177.4 | 178.6 | -175 | 0 | 112.2 | V1425 T1426 K1433 | V1425-K1429 HydrophobicContact CG1-CD 4.47Å; V1425-K1429 WeakPolarHBondContact O-CB 3.4Å; V1425-K1429 WeakPolarHBondContact O-CG 3.33Å; V1425-K1429 PolarHBondContact O-N 3.38Å; T1426-K1429 PolarHBondContact O-N 3.19Å; K1429-K1433 WeakPolarHBondContact O-CG 3.46Å; K1429-K1433 PolarHBondContact O-N 3.33Å; K1429-K1433 VanDerWaalsContact O-N 3.1Å |
| 1430 | L | 83.3 | Confident | 83 | Confident | 102 Ų | 102 | 120.3 Ų | 120.3 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -48.2 | 174.9 | -86 | 159.7 | 0 | 0 | 0 | 111.5 | T1426 Q1427 E1428 R1432 K1433 D1434 | T1426-L1430 PolarHBondContact O-N 3.45Å; Q1427-L1430 WeakPolarHBondContact O-CB 3.28Å; Q1427-L1430 PolarHBondContact O-N 3.38Å; E1428-L1430 VanDerWaalsContact C-N 3.34Å; L1430-R1432 VanDerWaalsContact C-N 3.32Å; L1430-R1432 PolarHBondContact O-N 3.46Å; L1430-K1433 WeakPolarHBondContact O-CB 3.38Å; L1430-K1433 PolarHBondContact O-N 2.99Å; L1430-K1433 VanDerWaalsContact O-N 3.09Å; L1430-D1434 PolarHBondContact O-N 3.49Å |
| 1431 | K | 88.1 | Confident | 84.3 | Confident | 147 Ų | 147 | 120.5 Ų | 120.5 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.1 | -40 | 176.9 | -72.8 | -178.9 | 178.6 | -173.9 | 0 | 113.3 | Q1427 E1428 D1434 Y1435 | Q1427-K1431 WeakPolarHBondContact O-CG 3.47Å; Q1427-K1431 PolarHBondContact O-N 3.19Å; E1428-K1431 PolarHBondContact O-N 3.45Å; K1431-D1434 PolarHBondContact O-N 3.05Å; K1431-Y1435 PolarHBondContact O-N 3.49Å |
| 1432 | R | 82.5 | Confident | 85.4 | Confident | 177 Ų | 177 | 117.1 Ų | 117.1 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 175.2 | -73.2 | 178.9 | -171.4 | -175.8 | 2.5 | 111.6 | E1428 L1430 Y1435 E1436 | E1428-R1432 WeakPolarHBondContact O-CG 3.35Å; E1428-R1432 PolarHBondContact O-N 2.82Å; L1430-R1432 VanDerWaalsContact C-N 3.32Å; L1430-R1432 PolarHBondContact O-N 3.46Å; R1432-Y1435 PolarHBondContact O-N 2.85Å; R1432-E1436 WeakPolarHBondContact O-CB 3.5Å; R1432-E1436 PolarHBondContact O-N 3.15Å |
| 1433 | K | 88.9 | Confident | 86.3 | Confident | 131 Ų | 131 | 116.5 Ų | 116.5 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 175.2 | -75.6 | -174.9 | 173.2 | -168.8 | 0 | 112.3 | K1429 L1430 Y1435 E1436 I1437 | K1429-K1433 WeakPolarHBondContact O-CG 3.46Å; K1429-K1433 PolarHBondContact O-N 3.33Å; K1429-K1433 VanDerWaalsContact O-N 3.1Å; L1430-K1433 WeakPolarHBondContact O-CB 3.38Å; L1430-K1433 PolarHBondContact O-N 2.99Å; L1430-K1433 VanDerWaalsContact O-N 3.09Å; K1433-Y1435 VanDerWaalsContact C-N 3.33Å; K1433-Y1435 PolarHBondContact O-N 3.23Å; K1433-E1436 PolarHBondContact O-N 2.95Å; K1433-I1437 WeakPolarHBondContact O-CB 3.49Å; K1433-I1437 WeakPolarHBondContact O-CG1 3.36Å; K1433-I1437 PolarHBondContact O-N 3.28Å |
| 1434 | D | 91.9 | Very high | 87.1 | Confident | 91 Ų | 91 | 114.1 Ų | 114.1 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.1 | -66.6 | -29.5 | 0 | 0 | 0 | 111.2 | L1430 K1431 I1437 D1438 | L1430-D1434 PolarHBondContact O-N 3.49Å; K1431-D1434 PolarHBondContact O-N 3.05Å; D1434-I1437 PolarHBondContact O-N 2.95Å; D1434-D1438 PolarHBondContact O-N 3.48Å |
| 1435 | Y | 86.9 | Confident | 87.8 | Confident | 177 Ų | 177 | 112.1 Ų | 112.1 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 175.5 | -160 | -89.4 | 0 | 0 | 0 | 112.6 | K1431 R1432 K1433 D1438 T1439 | K1431-Y1435 PolarHBondContact O-N 3.49Å; R1432-Y1435 PolarHBondContact O-N 2.85Å; K1433-Y1435 VanDerWaalsContact C-N 3.33Å; K1433-Y1435 PolarHBondContact O-N 3.23Å; Y1435-D1438 PolarHBondContact O-N 2.89Å; Y1435-T1439 HydrophobicContact CE1-CG2 4.26Å; Y1435-T1439 PolarHBondContact O-N 2.93Å; Y1435-T1439 PolarHBondContact O-OG1 2.83Å |
| 1436 | E | 89.4 | Confident | 88.3 | Confident | 117 Ų | 117 | 113.1 Ų | 113.1 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 174.8 | -170.7 | 174.8 | -170.3 | 0 | 0 | 111.6 | R1432 K1433 T1439 L1440 | R1432-E1436 WeakPolarHBondContact O-CB 3.5Å; R1432-E1436 PolarHBondContact O-N 3.15Å; K1433-E1436 PolarHBondContact O-N 2.95Å; E1436-T1439 VanDerWaalsContact CA-OG1 3.27Å; E1436-T1439 WeakPolarHBondContact CA-OG1 3.21Å; E1436-T1439 PolarHBondContact O-N 2.9Å; E1436-T1439 PolarHBondContact O-OG1 2.81Å; E1436-T1439 VanDerWaalsContact O-OG1 3.05Å; E1436-L1440 HydrophobicContact CG-CD1 4.36Å; E1436-L1440 WeakPolarHBondContact O-CB 3.18Å; E1436-L1440 VanDerWaalsContact O-CG 3.28Å; E1436-L1440 WeakPolarHBondContact O-CG 3.37Å; E1436-L1440 PolarHBondContact O-N 2.98Å |
| 1437 | I | 90 | Very high | 89 | Confident | 82 Ų | 82 | 118.1 Ų | 118.1 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.5 | -72.3 | 165.5 | 0 | 0 | 0 | 111.1 | K1433 D1434 L1440 K1441 | K1433-I1437 WeakPolarHBondContact O-CB 3.49Å; K1433-I1437 WeakPolarHBondContact O-CG1 3.36Å; K1433-I1437 PolarHBondContact O-N 3.28Å; D1434-I1437 PolarHBondContact O-N 2.95Å; I1437-L1440 PolarHBondContact O-N 2.88Å; I1437-K1441 HydrophobicContact CG2-CD 4.38Å; I1437-K1441 WeakPolarHBondContact O-CG 3.19Å; I1437-K1441 PolarHBondContact O-N 3.23Å |
| 1438 | D | 91.7 | Very high | 89.5 | Confident | 89 Ų | 89 | 117 Ų | 117 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 179.3 | -85.1 | -4.9 | 0 | 0 | 0 | 112.7 | D1434 Y1435 K1441 N1442 | D1434-D1438 PolarHBondContact O-N 3.48Å; Y1435-D1438 PolarHBondContact O-N 2.89Å; D1438-K1441 PolarHBondContact O-N 3.35Å; D1438-K1441 IonicContact OD1-NZ 2.93Å; D1438-K1441 PolarHBondContact OD1-NZ 3.29Å; D1438-N1442 PolarHBondContact O-N 3.29Å |
| 1439 | T | 91.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 117.9 Ų | 117.9 | 35% | 0.35 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 172.1 | 27.7 | 0 | 0 | 0 | 0 | 111.9 | Y1435 E1436 N1442 Q1443 | Y1435-T1439 HydrophobicContact CE1-CG2 4.26Å; Y1435-T1439 PolarHBondContact O-N 2.93Å; Y1435-T1439 PolarHBondContact O-OG1 2.83Å; E1436-T1439 VanDerWaalsContact CA-OG1 3.27Å; E1436-T1439 WeakPolarHBondContact CA-OG1 3.21Å; E1436-T1439 PolarHBondContact O-N 2.9Å; E1436-T1439 PolarHBondContact O-OG1 2.81Å; E1436-T1439 VanDerWaalsContact O-OG1 3.05Å; T1439-N1442 PolarHBondContact O-N 3.39Å; T1439-Q1443 WeakPolarHBondContact O-CG 3.08Å; T1439-Q1443 PolarHBondContact O-N 3.32Å; T1439-Q1443 VanDerWaalsContact O-N 3.07Å |
| 1440 | L | 91.7 | Very high | 90.5 | Very high | 98 Ų | 98 | 119 Ų | 119 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 175.3 | -72.5 | 172.1 | 0 | 0 | 0 | 112.6 | E1436 I1437 Q1443 L1444 | E1436-L1440 HydrophobicContact CG-CD1 4.36Å; E1436-L1440 WeakPolarHBondContact O-CB 3.18Å; E1436-L1440 VanDerWaalsContact O-CG 3.28Å; E1436-L1440 WeakPolarHBondContact O-CG 3.37Å; E1436-L1440 PolarHBondContact O-N 2.98Å; I1437-L1440 PolarHBondContact O-N 2.88Å; L1440-Q1443 PolarHBondContact O-N 3.12Å; L1440-L1444 WeakPolarHBondContact O-CB 3.35Å; L1440-L1444 PolarHBondContact O-N 3.01Å |
| 1441 | K | 92.3 | Very high | 90.9 | Very high | 121 Ų | 121 | 119 Ų | 119 | 53% | 0.526 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 173.9 | -77.2 | 175.1 | -172 | 161.9 | 0 | 112.1 | I1437 D1438 Q1443 L1444 E1445 | I1437-K1441 HydrophobicContact CG2-CD 4.38Å; I1437-K1441 WeakPolarHBondContact O-CG 3.19Å; I1437-K1441 PolarHBondContact O-N 3.23Å; D1438-K1441 PolarHBondContact O-N 3.35Å; D1438-K1441 IonicContact OD1-NZ 2.93Å; D1438-K1441 PolarHBondContact OD1-NZ 3.29Å; K1441-Q1443 PolarHBondContact O-N 3.49Å; K1441-L1444 WeakPolarHBondContact O-CB 3.28Å; K1441-L1444 PolarHBondContact O-N 2.85Å; K1441-E1445 PolarHBondContact O-N 2.89Å |
| 1442 | N | 91.6 | Very high | 91.1 | Very high | 108 Ų | 108 | 117.5 Ų | 117.5 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 177.9 | -79 | -18.4 | 0 | 0 | 0 | 111.8 | D1438 T1439 L1444 E1445 E1446 | D1438-N1442 PolarHBondContact O-N 3.29Å; T1439-N1442 PolarHBondContact O-N 3.39Å; N1442-L1444 VanDerWaalsContact C-N 3.31Å; N1442-L1444 PolarHBondContact O-N 3.33Å; N1442-E1445 PolarHBondContact O-N 3.06Å; N1442-E1446 PolarHBondContact O-N 2.98Å |
| 1443 | Q | 91.4 | Very high | 91.6 | Very high | 121 Ų | 121 | 114.2 Ų | 114.2 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 175.7 | -71.2 | 177.9 | 11.3 | 0 | 0 | 112.1 | T1439 L1440 K1441 E1446 R1447 | T1439-Q1443 WeakPolarHBondContact O-CG 3.08Å; T1439-Q1443 PolarHBondContact O-N 3.32Å; T1439-Q1443 VanDerWaalsContact O-N 3.07Å; L1440-Q1443 PolarHBondContact O-N 3.12Å; K1441-Q1443 PolarHBondContact O-N 3.49Å; Q1443-E1446 PolarHBondContact O-N 2.92Å; Q1443-R1447 WeakPolarHBondContact O-CB 3.29Å; Q1443-R1447 PolarHBondContact O-N 3.35Å |
| 1444 | L | 91.8 | Very high | 91.7 | Very high | 116 Ų | 116 | 112.7 Ų | 112.7 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.4 | -39.9 | 177.2 | -158.8 | 113.9 | 0 | 0 | 0 | 111.8 | L1440 K1441 N1442 R1447 N1448 | L1440-L1444 WeakPolarHBondContact O-CB 3.35Å; L1440-L1444 PolarHBondContact O-N 3.01Å; K1441-L1444 WeakPolarHBondContact O-CB 3.28Å; K1441-L1444 PolarHBondContact O-N 2.85Å; N1442-L1444 VanDerWaalsContact C-N 3.31Å; N1442-L1444 PolarHBondContact O-N 3.33Å; L1444-R1447 PolarHBondContact O-N 3.4Å; L1444-N1448 PolarHBondContact O-N 3.23Å |
| 1445 | E | 93.8 | Very high | 91.7 | Very high | 100 Ų | 100 | 111.7 Ų | 111.7 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.4 | -164.8 | -173.2 | 147.4 | 0 | 0 | 111.7 | K1441 N1442 R1447 N1448 K1449 | K1441-E1445 PolarHBondContact O-N 2.89Å; N1442-E1445 PolarHBondContact O-N 3.06Å; E1445-R1447 VanDerWaalsContact C-N 3.32Å; E1445-R1447 PolarHBondContact O-N 2.8Å; E1445-N1448 PolarHBondContact O-N 3.18Å; E1445-K1449 WeakPolarHBondContact O-CG 3.31Å; E1445-K1449 PolarHBondContact O-N 3.36Å; E1445-K1449 VanDerWaalsContact OE1-CE 3.29Å; E1445-K1449 WeakPolarHBondContact OE1-CE 3.44Å; E1445-K1449 IonicContact OE1-NZ 2.86Å; E1445-K1449 PolarHBondContact OE1-NZ 2.6Å |
| 1446 | E | 91.5 | Very high | 92 | Very high | 100 Ų | 100 | 107.1 Ų | 107.1 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 176 | -161.4 | -175.3 | 171.6 | 0 | 0 | 111.8 | N1442 Q1443 K1449 R1450 | N1442-E1446 PolarHBondContact O-N 2.98Å; Q1443-E1446 PolarHBondContact O-N 2.92Å; E1446-K1449 PolarHBondContact O-N 3.24Å; E1446-R1450 PolarHBondContact O-N 2.74Å; E1446-R1450 IonicContact OE1-CZ 2.7Å; E1446-R1450 IonicContact OE1-NH2 3.41Å; E1446-R1450 PolarHBondContact OE1-NH2 2.8Å |
| 1447 | R | 91.8 | Very high | 91.9 | Very high | 179 Ų | 179 | 106.5 Ų | 106.5 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 174 | -120.5 | -177.6 | 144.8 | 80.3 | 3.4 | 112.3 | Q1443 L1444 E1445 R1450 L1451 | Q1443-R1447 WeakPolarHBondContact O-CB 3.29Å; Q1443-R1447 PolarHBondContact O-N 3.35Å; L1444-R1447 PolarHBondContact O-N 3.4Å; E1445-R1447 VanDerWaalsContact C-N 3.32Å; E1445-R1447 PolarHBondContact O-N 2.8Å; R1447-R1450 PolarHBondContact O-N 2.84Å; R1447-L1451 PolarHBondContact O-N 3.35Å |
| 1448 | N | 93.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 107.6 Ų | 107.6 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.5 | -91 | -9.1 | 0 | 0 | 0 | 112 | L1444 E1445 R1450 L1451 Q1452 | L1444-N1448 PolarHBondContact O-N 3.23Å; E1445-N1448 PolarHBondContact O-N 3.18Å; N1448-R1450 VanDerWaalsContact C-N 3.35Å; N1448-R1450 PolarHBondContact O-N 2.79Å; N1448-L1451 PolarHBondContact O-N 3.38Å; N1448-Q1452 PolarHBondContact O-N 3.5Å |
| 1449 | K | 93.7 | Very high | 91.2 | Very high | 127 Ų | 127 | 109.4 Ų | 109.4 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 174.5 | -72.8 | 172.9 | -175.4 | 163.7 | 0 | 112 | E1445 E1446 Q1452 L1453 | E1445-K1449 WeakPolarHBondContact O-CG 3.31Å; E1445-K1449 PolarHBondContact O-N 3.36Å; E1445-K1449 VanDerWaalsContact OE1-CE 3.29Å; E1445-K1449 WeakPolarHBondContact OE1-CE 3.44Å; E1445-K1449 IonicContact OE1-NZ 2.86Å; E1445-K1449 PolarHBondContact OE1-NZ 2.6Å; E1446-K1449 PolarHBondContact O-N 3.24Å; K1449-Q1452 PolarHBondContact O-N 2.82Å; K1449-L1453 PolarHBondContact O-N 2.86Å |
| 1450 | R | 93.4 | Very high | 90.9 | Very high | 159 Ų | 159 | 113.8 Ų | 113.8 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 175.7 | -74.7 | -178.4 | -174.4 | 156.2 | 11.7 | 112.7 | E1446 R1447 N1448 L1453 L1454 | E1446-R1450 PolarHBondContact O-N 2.74Å; E1446-R1450 IonicContact OE1-CZ 2.7Å; E1446-R1450 IonicContact OE1-NH2 3.41Å; E1446-R1450 PolarHBondContact OE1-NH2 2.8Å; R1447-R1450 PolarHBondContact O-N 2.84Å; N1448-R1450 VanDerWaalsContact C-N 3.35Å; N1448-R1450 PolarHBondContact O-N 2.79Å; R1450-L1453 PolarHBondContact O-N 3.47Å; R1450-L1454 WeakPolarHBondContact O-CB 3.2Å; R1450-L1454 PolarHBondContact O-N 3.41Å |
| 1451 | L | 91.3 | Very high | 90.3 | Very high | 104 Ų | 104 | 113.9 Ų | 113.9 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.2 | -80.6 | 167.5 | 0 | 0 | 0 | 112.1 | R1447 N1448 L1454 S1455 | R1447-L1451 PolarHBondContact O-N 3.35Å; N1448-L1451 PolarHBondContact O-N 3.38Å; L1451-L1454 PolarHBondContact O-N 2.84Å; L1451-S1455 WeakPolarHBondContact O-CB 3.19Å; L1451-S1455 PolarHBondContact O-N 3.19Å |
| 1452 | Q | 92.7 | Very high | 89.6 | Confident | 114 Ų | 114 | 115.4 Ų | 115.4 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 175.6 | -168.5 | 64.5 | 37.5 | 0 | 0 | 111.2 | N1448 K1449 L1454 S1455 D1456 | N1448-Q1452 PolarHBondContact O-N 3.5Å; K1449-Q1452 PolarHBondContact O-N 2.82Å; Q1452-L1454 VanDerWaalsContact C-N 3.3Å; Q1452-L1454 PolarHBondContact O-N 3.46Å; Q1452-S1455 WeakPolarHBondContact O-CB 3.17Å; Q1452-S1455 PolarHBondContact O-N 2.81Å; Q1452-S1455 VanDerWaalsContact O-N 3.16Å; Q1452-D1456 PolarHBondContact NE2-OD1 3.36Å; Q1452-D1456 VanDerWaalsContact O-CG 3.3Å; Q1452-D1456 PolarHBondContact O-N 2.95Å |
| 1453 | L | 93.2 | Very high | 89 | Confident | 108 Ų | 108 | 115.7 Ų | 115.7 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 176.8 | -167.3 | 80.1 | 0 | 0 | 0 | 112 | K1449 R1450 D1456 Q1457 | K1449-L1453 PolarHBondContact O-N 2.86Å; R1450-L1453 PolarHBondContact O-N 3.47Å; L1453-D1456 PolarHBondContact O-N 3.27Å; L1453-Q1457 WeakPolarHBondContact O-CB 3.33Å; L1453-Q1457 WeakPolarHBondContact O-CG 3.3Å; L1453-Q1457 PolarHBondContact O-N 2.76Å |
| 1454 | L | 91.4 | Very high | 88.1 | Confident | 100 Ų | 100 | 117.8 Ų | 117.8 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -39.4 | 177.1 | -163.4 | 77.1 | 0 | 0 | 0 | 111.6 | R1450 L1451 Q1452 Q1457 M1458 | R1450-L1454 WeakPolarHBondContact O-CB 3.2Å; R1450-L1454 PolarHBondContact O-N 3.41Å; L1451-L1454 PolarHBondContact O-N 2.84Å; Q1452-L1454 VanDerWaalsContact C-N 3.3Å; Q1452-L1454 PolarHBondContact O-N 3.46Å; L1454-Q1457 PolarHBondContact O-N 3.27Å; L1454-M1458 WeakPolarHBondContact O-CB 3.43Å; L1454-M1458 VanDerWaalsContact O-CG 3.24Å; L1454-M1458 WeakPolarHBondContact O-CG 3.41Å; L1454-M1458 PolarHBondContact O-N 3.44Å |
| 1455 | S | 91.7 | Very high | 87.4 | Confident | 69 Ų | 69 | 118.8 Ų | 118.8 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -44 | 174 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | L1451 Q1452 M1458 M1459 | L1451-S1455 WeakPolarHBondContact O-CB 3.19Å; L1451-S1455 PolarHBondContact O-N 3.19Å; Q1452-S1455 WeakPolarHBondContact O-CB 3.17Å; Q1452-S1455 PolarHBondContact O-N 2.81Å; Q1452-S1455 VanDerWaalsContact O-N 3.16Å; S1455-M1458 WeakPolarHBondContact O-CB 3.5Å; S1455-M1458 PolarHBondContact O-N 3.47Å; S1455-M1459 WeakPolarHBondContact O-CB 3.42Å; S1455-M1459 PolarHBondContact O-N 2.83Å |
| 1456 | D | 91.8 | Very high | 85.8 | Confident | 82 Ų | 82 | 117.1 Ų | 117.1 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -39.4 | 177.6 | -65.6 | -12.8 | 0 | 0 | 0 | 111.1 | Q1452 L1453 M1459 K1460 | Q1452-D1456 PolarHBondContact NE2-OD1 3.36Å; Q1452-D1456 VanDerWaalsContact O-CG 3.3Å; Q1452-D1456 PolarHBondContact O-N 2.95Å; L1453-D1456 PolarHBondContact O-N 3.27Å; D1456-M1459 PolarHBondContact O-N 2.88Å; D1456-K1460 WeakPolarHBondContact O-CB 3.14Å; D1456-K1460 PolarHBondContact O-N 3.43Å |
| 1457 | Q | 87.7 | Confident | 84.4 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -42.8 | 173 | -78.1 | -179.7 | -10.8 | 0 | 0 | 112.2 | L1453 L1454 M1459 K1460 M1461 | L1453-Q1457 WeakPolarHBondContact O-CB 3.33Å; L1453-Q1457 WeakPolarHBondContact O-CG 3.3Å; L1453-Q1457 PolarHBondContact O-N 2.76Å; L1454-Q1457 PolarHBondContact O-N 3.27Å; Q1457-M1459 VanDerWaalsContact C-N 3.34Å; Q1457-K1460 WeakPolarHBondContact O-CB 3.34Å; Q1457-K1460 PolarHBondContact O-N 2.77Å; Q1457-M1461 WeakPolarHBondContact O-CG 3.24Å; Q1457-M1461 PolarHBondContact O-N 2.84Å |
| 1458 | M | 83.2 | Confident | 82.7 | Confident | 105 Ų | 105 | 113.4 Ų | 113.4 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -41.8 | 174.5 | -77.5 | -84.3 | -66.9 | 0 | 0 | 111.8 | L1454 S1455 M1461 R1462 | L1454-M1458 WeakPolarHBondContact O-CB 3.43Å; L1454-M1458 VanDerWaalsContact O-CG 3.24Å; L1454-M1458 WeakPolarHBondContact O-CG 3.41Å; L1454-M1458 PolarHBondContact O-N 3.44Å; S1455-M1458 WeakPolarHBondContact O-CB 3.5Å; S1455-M1458 PolarHBondContact O-N 3.47Å; M1458-M1461 HydrophobicContact CG-CE 4.27Å; M1458-M1461 PolarHBondContact O-N 3.38Å; M1458-M1461 HydrophobicContact SD-CE 3.87Å; M1458-R1462 PolarHBondContact O-N 3.35Å |
| 1459 | M | 85.1 | Confident | 80.4 | Confident | 126 Ų | 126 | 116.3 Ų | 116.3 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -41.8 | 175 | -163.9 | 174.5 | -162.3 | 0 | 0 | 111 | S1455 D1456 Q1457 M1461 R1462 M1463 | S1455-M1459 WeakPolarHBondContact O-CB 3.42Å; S1455-M1459 PolarHBondContact O-N 2.83Å; D1456-M1459 PolarHBondContact O-N 2.88Å; Q1457-M1459 VanDerWaalsContact C-N 3.34Å; M1459-M1461 PolarHBondContact O-N 2.68Å; M1459-R1462 WeakPolarHBondContact O-CB 3.18Å; M1459-R1462 PolarHBondContact O-N 2.84Å; M1459-M1463 WeakPolarHBondContact O-CG 3.28Å; M1459-M1463 PolarHBondContact O-N 2.86Å |
| 1460 | K | 83.2 | Confident | 77.8 | Confident | 150 Ų | 150 | 120.1 Ų | 120.1 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.9 | -40.9 | 175.3 | -133.5 | 175.3 | -174 | 178.3 | 0 | 112.6 | D1456 Q1457 M1463 Q1464 | D1456-K1460 WeakPolarHBondContact O-CB 3.14Å; D1456-K1460 PolarHBondContact O-N 3.43Å; Q1457-K1460 WeakPolarHBondContact O-CB 3.34Å; Q1457-K1460 PolarHBondContact O-N 2.77Å; K1460-M1463 PolarHBondContact O-N 3.5Å; K1460-Q1464 WeakPolarHBondContact O-CB 3.32Å; K1460-Q1464 PolarHBondContact O-N 3.41Å |
| 1461 | M | 79.8 | Confident | 77 | Confident | 100 Ų | 100 | 118.2 Ų | 118.2 | 49% | 0.493 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.4 | -41.6 | 174 | -73.4 | -170.7 | -62.1 | 0 | 0 | 111.3 | Q1457 M1458 M1459 M1463 Q1464 M1465 | Q1457-M1461 WeakPolarHBondContact O-CG 3.24Å; Q1457-M1461 PolarHBondContact O-N 2.84Å; M1458-M1461 HydrophobicContact CG-CE 4.27Å; M1458-M1461 PolarHBondContact O-N 3.38Å; M1458-M1461 HydrophobicContact SD-CE 3.87Å; M1459-M1461 PolarHBondContact O-N 2.68Å; M1461-M1463 PolarHBondContact O-N 2.92Å; M1461-Q1464 PolarHBondContact O-N 2.82Å; M1461-M1465 VanDerWaalsContact O-CG 3.29Å; M1461-M1465 WeakPolarHBondContact O-CG 3.25Å; M1461-M1465 PolarHBondContact O-N 3.39Å |
| 1462 | R | 78.6 | Confident | 76.3 | Confident | 153 Ų | 153 | 118.9 Ų | 118.9 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.3 | -44.3 | 173.8 | -89 | -177.6 | 170.9 | -113.8 | 1.1 | 112.2 | M1458 M1459 M1465 G1466 L1467 | M1458-R1462 PolarHBondContact O-N 3.35Å; M1459-R1462 WeakPolarHBondContact O-CB 3.18Å; M1459-R1462 PolarHBondContact O-N 2.84Å; R1462-M1465 PolarHBondContact O-N 2.93Å; R1462-G1466 PolarHBondContact O-N 3.48Å; R1462-L1467 PolarHBondContact O-N 3.46Å |
| 1463 | M | 77.8 | Confident | 75.4 | Confident | 113 Ų | 113 | 119.2 Ų | 119.2 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64 | -40.5 | 174.4 | -71.1 | -163.2 | 83.8 | 0 | 0 | 112.1 | M1459 K1460 M1461 M1465 G1466 E1468 | M1459-M1463 WeakPolarHBondContact O-CG 3.28Å; M1459-M1463 PolarHBondContact O-N 2.86Å; K1460-M1463 PolarHBondContact O-N 3.5Å; M1461-M1463 PolarHBondContact O-N 2.92Å; M1463-M1465 VanDerWaalsContact C-N 3.31Å; M1463-M1465 PolarHBondContact O-N 3.18Å; M1463-G1466 PolarHBondContact O-N 3.47Å; M1463-E1468 WeakPolarHBondContact CE-OE1 3.35Å |
| 1464 | Q | 73.5 | Confident | 74.3 | Confident | 165 Ų | 165 | 119.8 Ų | 119.8 | 77% | 0.771 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -30.6 | 176.3 | -85 | -176.9 | -27.6 | 0 | 0 | 113.4 | K1460 M1461 G1466 | K1460-Q1464 WeakPolarHBondContact O-CB 3.32Å; K1460-Q1464 PolarHBondContact O-N 3.41Å; M1461-Q1464 PolarHBondContact O-N 2.82Å; Q1464-G1466 VanDerWaalsContact C-N 3.3Å |
| 1465 | M | 75.4 | Confident | 73.2 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 68% | 0.675 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 4.1 | 178.2 | -61.7 | -140.4 | -53.4 | 0 | 0 | 113.6 | M1461 R1462 M1463 L1467 | M1461-M1465 VanDerWaalsContact O-CG 3.29Å; M1461-M1465 WeakPolarHBondContact O-CG 3.25Å; M1461-M1465 PolarHBondContact O-N 3.39Å; R1462-M1465 PolarHBondContact O-N 2.93Å; M1463-M1465 VanDerWaalsContact C-N 3.31Å; M1463-M1465 PolarHBondContact O-N 3.18Å; M1465-L1467 HydrophobicContact CB-CD1 4.16Å; M1465-L1467 HydrophobicContact CB-CG 4.19Å; M1465-L1467 HydrophobicContact CE-CD1 3.74Å; M1465-L1467 PolarHBondContact O-N 3.27Å |
| 1466 | G | 60.4 | Low | 72 | Confident | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 22.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1462 M1463 Q1464 E1468 | R1462-G1466 PolarHBondContact O-N 3.48Å; M1463-G1466 PolarHBondContact O-N 3.47Å; Q1464-G1466 VanDerWaalsContact C-N 3.3Å; G1466-E1468 VanDerWaalsContact C-N 3.25Å; G1466-E1468 PolarHBondContact O-N 3.34Å |
| 1467 | L | 62.7 | Low | 70.6 | Confident | 68 Ų | 68 | 127.6 Ų | 127.6 | 36% | 0.356 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.2 | 39.6 | -177.8 | -69.4 | 172.9 | 0 | 0 | 0 | 112.4 | R1462 M1465 I1470 | R1462-L1467 PolarHBondContact O-N 3.46Å; M1465-L1467 HydrophobicContact CB-CD1 4.16Å; M1465-L1467 HydrophobicContact CB-CG 4.19Å; M1465-L1467 HydrophobicContact CE-CD1 3.74Å; M1465-L1467 PolarHBondContact O-N 3.27Å; L1467-I1470 HydrophobicContact CD2-CD1 4Å |
| 1468 | E | 55.3 | Low | 69.3 | Low | 133 Ų | 133 | 129.4 Ų | 129.4 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -20.1 | 176.8 | -81.4 | -173.7 | 153.8 | 0 | 0 | 113.5 | M1463 G1466 | M1463-E1468 WeakPolarHBondContact CE-OE1 3.35Å; G1466-E1468 VanDerWaalsContact C-N 3.25Å; G1466-E1468 PolarHBondContact O-N 3.34Å |
| 1469 | D | 46.2 | Very low | 68.1 | Low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | -131 | 49.7 | -172.5 | -71.8 | -34.8 | 0 | 0 | 0 | 114.9 | ||||
| 1470 | I | 39.4 | Very low | 66.6 | Low | 206 Ų | 206 | 131.9 Ų | 131.9 | 100% | 1.056 | 66% | 0.663 | S | S | * | * | trans | -127 | 0 | 159.4 | -49.8 | 176.5 | 0 | 0 | 0 | 108.2 | L1467 | L1467-I1470 HydrophobicContact CD2-CD1 4Š|
Retrieved 1,470 of 1,470 residues in 1487.7 ms
(Link to these results)