| 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 | H | 38.1 | Very low | 46.6 | Very low | 248 Ų | 248 | 108.1 Ų | 108.1 | 100% | 1.148 | 60% | 0.598 | S | S | * | * | 0 | 95.2 | 0 | -77.1 | 85.1 | 0 | 0 | 0 | 108.4 | |||||
| 2 | G | 43.4 | Very low | 47.2 | Very low | 79 Ų | 79 | 106.2 Ų | 106.2 | 81% | 0.814 | 58% | 0.579 | S | S | * | * | trans | -99.3 | 118.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | C | 39.9 | Very low | 47.9 | Very low | 119 Ų | 119 | 107.2 Ų | 107.2 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | trans | -93.2 | 124 | 171.3 | -64.1 | 0 | 0 | 0 | 0 | 108.4 | L5 | C3-L5 PolarHBondContact O-N 3.42Š| ||
| 4 | V | 46.3 | Very low | 48.8 | Very low | 83 Ų | 83 | 103.4 Ų | 103.4 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -81.4 | 111 | 172.4 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | R6 | V4-R6 PolarHBondContact O-N 3.1Š| ||
| 5 | L | 48.6 | Very low | 49.5 | Very low | 146 Ų | 146 | 104.9 Ų | 104.9 | 76% | 0.764 | 56% | 0.559 | S | S | * | * | trans | -68 | 117.3 | 170.6 | -63.4 | 176.2 | 0 | 0 | 0 | 108 | C3 | C3-L5 PolarHBondContact O-N 3.42Š| ||
| 6 | R | 47.6 | Very low | 50.3 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 34% | 0.336 | 55% | 0.546 | S | S | . | . | trans | -73.2 | 153.9 | 179.5 | -78 | -173.6 | 177.9 | 166 | 0.9 | 111.4 | V4 Q8 Y44 H46 | V4-R6 PolarHBondContact O-N 3.1Å; R6-Q8 PolarHBondContact O-N 2.97Å; R6-Y44 PolarHBondContact NH1-O 3.38Å; R6-H46 PolarHBondContact NH1-O 3.44Å; R6-H46 PolarHBondContact NH2-O 3.45Å | ||
| 7 | P | 48.4 | Very low | 51 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | trans | -58.7 | 110.3 | 169.9 | -12.6 | 24.4 | 0 | 0 | 0 | 109 | T9 | P7-T9 PolarHBondContact O-N 2.84Š| ||
| 8 | Q | 49.3 | Very low | 51.5 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | trans | -86 | 110 | 174.3 | -164.8 | 169.9 | 25.4 | 0 | 0 | 107.1 | R6 V10 T41 | R6-Q8 PolarHBondContact O-N 2.97Å; Q8-V10 HydrophobicContact CG-CG2 4.4Å; Q8-V10 PolarHBondContact O-N 3.21Å; Q8-T41 HydrophobicContact CG-CG2 3.97Å; Q8-T41 VanDerWaalsContact NE2-CB 3.26Å | ||
| 9 | T | 50.4 | Low | 52 | Low | 65 Ų | 65 | 99.9 Ų | 99.9 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 111.9 | 170.4 | -53.1 | 0 | 0 | 0 | 0 | 107.9 | P7 Y11 K42 | P7-T9 PolarHBondContact O-N 2.84Å; T9-Y11 HydrophobicContact CG2-CD2 4.14Å; T9-Y11 HydrophobicContact CG2-CE1 4.47Å; T9-Y11 HydrophobicContact CG2-CE2 3.58Å; T9-K42 PolarHBondContact O-N 2.58Å |
| 10 | V | 47.7 | Very low | 52.4 | Low | 39 Ų | 39 | 100.1 Ų | 100.1 | 24% | 0.236 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.7 | 175.1 | -165.9 | 0 | 0 | 0 | 0 | 108.1 | Q8 F12 T40 T41 | Q8-V10 HydrophobicContact CG-CG2 4.4Å; Q8-V10 PolarHBondContact O-N 3.21Å; V10-F12 HydrophobicContact CB-CD2 4.31Å; V10-F12 HydrophobicContact CB-CE2 3.63Å; V10-F12 HydrophobicContact CB-CZ 3.94Å; V10-F12 HydrophobicContact CG1-CD1 4.44Å; V10-F12 HydrophobicContact CG1-CD2 4.11Å; V10-F12 HydrophobicContact CG1-CE1 3.91Å; V10-F12 HydrophobicContact CG1-CE2 3.54Å; V10-F12 HydrophobicContact CG1-CZ 3.42Å; V10-F12 VanDerWaalsContact CG1-CZ 3.42Å; V10-T40 WeakPolarHBondContact CA-O 3.11Å; V10-T41 HydrophobicContact CB-CG2 4.47Å; V10-T41 HydrophobicContact CG1-CG2 4.09Å; V10-T41 HydrophobicContact CG2-CG2 3.95Å |
| 11 | Y | 53.1 | Low | 52.9 | Low | 118 Ų | 118 | 99 Ų | 99 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.5 | 171.7 | -66.5 | -91.2 | 0 | 0 | 0 | 108.3 | T9 S39 T40 K42 | T9-Y11 HydrophobicContact CG2-CD2 4.14Å; T9-Y11 HydrophobicContact CG2-CE1 4.47Å; T9-Y11 HydrophobicContact CG2-CE2 3.58Å; Y11-S39 CarbonylContact O-C 3.57Å; Y11-S39 WeakPolarHBondContact O-CA 3.18Å; Y11-T40 PolarHBondContact N-O 3.12Å; Y11-T40 PolarHBondContact O-N 3.31Å; Y11-K42 HydrophobicContact CE2-CD 4.04Å; Y11-K42 HydrophobicContact CE2-CG 4.33Å |
| 12 | F | 53.9 | Low | 54 | Low | 85 Ų | 85 | 92.1 Ų | 92.1 | 37% | 0.373 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.3 | 174.5 | -65.8 | -84.5 | 0 | 0 | 0 | 109.3 | V10 T38 V63 | V10-F12 HydrophobicContact CB-CD2 4.31Å; V10-F12 HydrophobicContact CB-CE2 3.63Å; V10-F12 HydrophobicContact CB-CZ 3.94Å; V10-F12 HydrophobicContact CG1-CD1 4.44Å; V10-F12 HydrophobicContact CG1-CD2 4.11Å; V10-F12 HydrophobicContact CG1-CE1 3.91Å; V10-F12 HydrophobicContact CG1-CE2 3.54Å; V10-F12 HydrophobicContact CG1-CZ 3.42Å; V10-F12 VanDerWaalsContact CG1-CZ 3.42Å; F12-T38 WeakPolarHBondContact CA-O 3.45Å; F12-V63 HydrophobicContact CE1-CG2 3.87Å; F12-V63 HydrophobicContact CE2-CG2 3.83Å; F12-V63 HydrophobicContact CZ-CG2 3.36Å |
| 13 | Q | 55.7 | Low | 54.6 | Low | 120 Ų | 120 | 90.4 Ų | 90.4 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.6 | 166.1 | -168.9 | -178.9 | 81.2 | 0 | 0 | 108.1 | A37 T38 | Q13-A37 CarbonylContact O-C 3.51Å; Q13-A37 WeakPolarHBondContact O-CA 3.46Å; Q13-T38 PolarHBondContact N-O 3.26Å; Q13-T38 PolarHBondContact O-N 3.31Å |
| 14 | V | 60.7 | Low | 55.8 | Low | 54 Ų | 54 | 93.6 Ų | 93.6 | 33% | 0.327 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.3 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | I34 A37 L66 | V14-I34 HydrophobicContact CG1-CD1 4.35Å; V14-I34 HydrophobicContact CG1-CG1 4.42Å; V14-I34 HydrophobicContact CG1-CG2 3.57Å; V14-A37 HydrophobicContact CG2-CB 4.38Å; V14-L66 HydrophobicContact CG2-CD2 3.95Å |
| 15 | K | 59.7 | Low | 56.4 | Low | 126 Ų | 126 | 92.3 Ų | 92.3 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.6 | 171 | -69.9 | -176.9 | -179.7 | 178 | 0 | 108.3 | V35 G36 | K15-V35 HydrophobicContact CB-CG2 3.86Å; K15-V35 WeakPolarHBondContact O-CG2 3.42Å; K15-V35 PolarHBondContact O-N 3.21Å; K15-G36 PolarHBondContact N-O 3.28Å; K15-G36 PolarHBondContact O-N 3.21Å |
| 16 | C | 61.7 | Low | 57 | Low | 51 Ų | 51 | 95.4 Ų | 95.4 | 35% | 0.345 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.6 | 176 | -58.3 | 0 | 0 | 0 | 0 | 110 | F18 V32 Y33 | C16-F18 HydrophobicContact CB-CE2 4.13Å; C16-V32 HydrophobicContact CB-CG1 4.02Å; C16-Y33 CarbonylContact C-O 3.55Å; C16-Y33 WeakPolarHBondContact CA-O 3.3Å |
| 17 | V | 62.2 | Low | 57.2 | Low | 66 Ų | 66 | 95.5 Ų | 95.5 | 40% | 0.4 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123 | 167.5 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | V19 Y33 V35 | V17-V19 HydrophobicContact CG1-CG2 4.1Å; V17-Y33 PolarHBondContact N-O 3.22Å; V17-Y33 PolarHBondContact O-N 2.85Å; V17-V35 HydrophobicContact CB-CG1 4.18Å; V17-V35 HydrophobicContact CG2-CB 4.38Å; V17-V35 HydrophobicContact CG2-CG1 3.55Å; V17-V35 HydrophobicContact CG2-CG2 3.88Å |
| 18 | F | 60.6 | Low | 57.8 | Low | 151 Ų | 151 | 93.6 Ų | 93.6 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.1 | 174 | -69.6 | -97.4 | 0 | 0 | 0 | 108.4 | C16 V32 | C16-F18 HydrophobicContact CB-CE2 4.13Å; F18-V32 HydrophobicContact CD1-CB 4.3Å; F18-V32 HydrophobicContact CD1-CG1 4.07Å; F18-V32 HydrophobicContact CD1-CG2 3.48Å; F18-V32 VanDerWaalsContact CD1-CG2 3.48Å; F18-V32 HydrophobicContact CE1-CB 4.24Å; F18-V32 HydrophobicContact CE1-CG1 3.8Å; F18-V32 HydrophobicContact CE1-CG2 3.39Å; F18-V32 HydrophobicContact CE2-CG1 4.38Å; F18-V32 HydrophobicContact CG-CG1 4.47Å; F18-V32 HydrophobicContact CG-CG2 4.48Å; F18-V32 HydrophobicContact CZ-CG1 3.96Å; F18-V32 HydrophobicContact CZ-CG2 4.34Å |
| 19 | V | 60.5 | Low | 58.4 | Low | 57 Ų | 57 | 93.5 Ų | 93.5 | 35% | 0.345 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.4 | 174.9 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | V17 I21 C31 Y33 | V17-V19 HydrophobicContact CG1-CG2 4.1Å; V19-I21 HydrophobicContact CG1-CG1 4.13Å; V19-C31 HydrophobicContact CB-CB 4.45Å; V19-C31 PolarHBondContact N-O 3.43Å; V19-C31 WeakPolarHBondContact O-CA 3.45Å; V19-C31 PolarHBondContact O-N 3.49Å; V19-Y33 HydrophobicContact CB-CD2 4.05Å; V19-Y33 HydrophobicContact CB-CE2 3.93Å; V19-Y33 HydrophobicContact CG2-CD2 3.64Å; V19-Y33 HydrophobicContact CG2-CE2 3.88Å |
| 20 | I | 60.7 | Low | 59 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 114.3 | 172.5 | -52.5 | -179.6 | 0 | 0 | 0 | 106.4 | A28 | I20-A28 HydrophobicContact CG2-CB 4.36Å |
| 21 | I | 61.3 | Low | 59.7 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 40% | 0.395 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 103.7 | 172.9 | -54.1 | 178.5 | 0 | 0 | 0 | 106.5 | V19 G23 L29 C31 | V19-I21 HydrophobicContact CG1-CG1 4.13Å; I21-G23 PolarHBondContact O-N 3.41Å; I21-L29 HydrophobicContact CB-CB 4.38Å; I21-L29 PolarHBondContact N-O 3.29Å; I21-L29 PolarHBondContact O-N 3.49Å; I21-C31 HydrophobicContact CD1-CB 4.43Å |
| 22 | S | 61.5 | Low | 60.1 | Low | 105 Ų | 105 | 92.9 Ų | 92.9 | 73% | 0.734 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 109 | 171.8 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 23 | G | 57.3 | Low | 60.6 | Low | 42 Ų | 42 | 94.7 Ų | 94.7 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | trans | -84.3 | 153.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I21 G25 | I21-G23 PolarHBondContact O-N 3.41Å; G23-G25 PolarHBondContact O-N 3.27Å; G23-G25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | D | 65.2 | Low | 61 | Low | 187 Ų | 187 | 91.5 Ų | 91.5 | 100% | 1 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -67.9 | 103.5 | 169.5 | -166.3 | 12.9 | 0 | 0 | 0 | 108.4 | ||
| 25 | G | 57.9 | Low | 61.2 | Low | 55 Ų | 55 | 93.6 Ų | 93.6 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 125.1 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G23 S27 | G23-G25 PolarHBondContact O-N 3.27Å; G23-G25 VanDerWaalsContact O-N 3.11Å; G25-S27 PolarHBondContact O-N 2.96Å |
| 26 | E | 60.7 | Low | 61 | Low | 212 Ų | 212 | 88.8 Ų | 88.8 | 99% | 0.991 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -60.8 | 4.8 | -176.4 | -75.1 | -175.3 | 146.1 | 0 | 0 | 115.5 | ||
| 27 | S | 53.1 | Low | 60.9 | Low | 90 Ų | 90 | 89.5 Ų | 89.5 | 63% | 0.629 | 52% | 0.521 | S | S | * | . | trans | -109.1 | 83.2 | -176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | G25 | G25-S27 PolarHBondContact O-N 2.96Š| ||
| 28 | A | 60.5 | Low | 60.5 | Low | 51 Ų | 51 | 90.1 Ų | 90.1 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I20 | I20-A28 HydrophobicContact CG2-CB 4.36Å |
| 29 | L | 62.1 | Low | 60.3 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.1 | 174.7 | -69.2 | 176.8 | 0 | 0 | 0 | 109 | I21 C31 | I21-L29 HydrophobicContact CB-CB 4.38Å; I21-L29 PolarHBondContact N-O 3.29Å; I21-L29 PolarHBondContact O-N 3.49Å; L29-C31 PolarHBondContact O-N 3.42Å |
| 30 | H | 62.2 | Low | 59.8 | Low | 134 Ų | 134 | 87.2 Ų | 87.2 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 106.1 | 171.6 | -63.7 | -90.6 | 0 | 0 | 0 | 109.4 | ||
| 31 | C | 63.6 | Low | 59.5 | Low | 38 Ų | 38 | 86 Ų | 86 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.3 | 172.6 | -72.7 | 0 | 0 | 0 | 0 | 109.7 | V19 I21 L29 Y33 | V19-C31 HydrophobicContact CB-CB 4.45Å; V19-C31 PolarHBondContact N-O 3.43Å; V19-C31 WeakPolarHBondContact O-CA 3.45Å; V19-C31 PolarHBondContact O-N 3.49Å; I21-C31 HydrophobicContact CD1-CB 4.43Å; L29-C31 PolarHBondContact O-N 3.42Å; C31-Y33 HydrophobicContact CB-CD2 4.22Å; C31-Y33 HydrophobicContact CB-CE2 3.57Å |
| 32 | V | 61.2 | Low | 59.1 | Low | 38 Ų | 38 | 87.4 Ų | 87.4 | 23% | 0.23 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.2 | 172.9 | -169.8 | 0 | 0 | 0 | 0 | 107.9 | C16 F18 | C16-V32 HydrophobicContact CB-CG1 4.02Å; F18-V32 HydrophobicContact CD1-CB 4.3Å; F18-V32 HydrophobicContact CD1-CG1 4.07Å; F18-V32 HydrophobicContact CD1-CG2 3.48Å; F18-V32 VanDerWaalsContact CD1-CG2 3.48Å; F18-V32 HydrophobicContact CE1-CB 4.24Å; F18-V32 HydrophobicContact CE1-CG1 3.8Å; F18-V32 HydrophobicContact CE1-CG2 3.39Å; F18-V32 HydrophobicContact CE2-CG1 4.38Å; F18-V32 HydrophobicContact CG-CG1 4.47Å; F18-V32 HydrophobicContact CG-CG2 4.48Å; F18-V32 HydrophobicContact CZ-CG1 3.96Å; F18-V32 HydrophobicContact CZ-CG2 4.34Å |
| 33 | Y | 63.9 | Low | 58.5 | Low | 122 Ų | 122 | 88 Ų | 88 | 48% | 0.478 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.9 | 176.1 | -68.6 | -86.5 | 0 | 0 | 0 | 109.3 | C16 V17 V19 C31 V35 | C16-Y33 CarbonylContact C-O 3.55Å; C16-Y33 WeakPolarHBondContact CA-O 3.3Å; V17-Y33 PolarHBondContact N-O 3.22Å; V17-Y33 PolarHBondContact O-N 2.85Å; V19-Y33 HydrophobicContact CB-CD2 4.05Å; V19-Y33 HydrophobicContact CB-CE2 3.93Å; V19-Y33 HydrophobicContact CG2-CD2 3.64Å; V19-Y33 HydrophobicContact CG2-CE2 3.88Å; C31-Y33 HydrophobicContact CB-CD2 4.22Å; C31-Y33 HydrophobicContact CB-CE2 3.57Å; Y33-V35 PolarHBondContact O-N 2.87Å |
| 34 | I | 63.9 | Low | 57.9 | Low | 53 Ų | 53 | 92.4 Ų | 92.4 | 27% | 0.272 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.1 | 172.7 | -58.6 | 178 | 0 | 0 | 0 | 107 | V14 L70 V74 L78 | V14-I34 HydrophobicContact CG1-CD1 4.35Å; V14-I34 HydrophobicContact CG1-CG1 4.42Å; V14-I34 HydrophobicContact CG1-CG2 3.57Å; I34-L70 HydrophobicContact CD1-CD1 4.22Å; I34-V74 HydrophobicContact CD1-CG1 3.58Å; I34-V74 HydrophobicContact CG1-CG1 4.24Å; I34-L78 HydrophobicContact CD1-CD1 3.33Å; I34-L78 HydrophobicContact CD1-CG 4.24Å |
| 35 | V | 65.9 | Low | 56.9 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | -17.7 | -177.4 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | K15 V17 Y33 | K15-V35 HydrophobicContact CB-CG2 3.86Å; K15-V35 WeakPolarHBondContact O-CG2 3.42Å; K15-V35 PolarHBondContact O-N 3.21Å; V17-V35 HydrophobicContact CB-CG1 4.18Å; V17-V35 HydrophobicContact CG2-CB 4.38Å; V17-V35 HydrophobicContact CG2-CG1 3.55Å; V17-V35 HydrophobicContact CG2-CG2 3.88Å; Y33-V35 PolarHBondContact O-N 2.87Å |
| 36 | G | 54.5 | Low | 56 | Low | 26 Ų | 26 | 92.4 Ų | 92.4 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 141.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K15 | K15-G36 PolarHBondContact N-O 3.28Å; K15-G36 PolarHBondContact O-N 3.21Å |
| 37 | A | 60.2 | Low | 55.4 | Low | 65 Ų | 65 | 88.5 Ų | 88.5 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q13 V14 | Q13-A37 CarbonylContact O-C 3.51Å; Q13-A37 WeakPolarHBondContact O-CA 3.46Å; V14-A37 HydrophobicContact CG2-CB 4.38Å |
| 38 | T | 53.2 | Low | 55.1 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.2 | 178.2 | -40.2 | 0 | 0 | 0 | 0 | 108.4 | F12 Q13 | F12-T38 WeakPolarHBondContact CA-O 3.45Å; Q13-T38 PolarHBondContact N-O 3.26Å; Q13-T38 PolarHBondContact O-N 3.31Å |
| 39 | S | 56.4 | Low | 54.3 | Low | 70 Ų | 70 | 96.6 Ų | 96.6 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.4 | 172.9 | 62.9 | 0 | 0 | 0 | 0 | 109.3 | Y11 | Y11-S39 CarbonylContact O-C 3.57Å; Y11-S39 WeakPolarHBondContact O-CA 3.18Å |
| 40 | T | 51.4 | Low | 53.5 | Low | 76 Ų | 76 | 96.3 Ų | 96.3 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.8 | 172.1 | 47 | 0 | 0 | 0 | 0 | 109.7 | V10 Y11 | V10-T40 WeakPolarHBondContact CA-O 3.11Å; Y11-T40 PolarHBondContact N-O 3.12Å; Y11-T40 PolarHBondContact O-N 3.31Å |
| 41 | T | 53.6 | Low | 52.9 | Low | 76 Ų | 76 | 96.9 Ų | 96.9 | 47% | 0.466 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.3 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 109 | Q8 V10 N43 | Q8-T41 HydrophobicContact CG-CG2 3.97Å; Q8-T41 VanDerWaalsContact NE2-CB 3.26Å; V10-T41 HydrophobicContact CB-CG2 4.47Å; V10-T41 HydrophobicContact CG1-CG2 4.09Å; V10-T41 HydrophobicContact CG2-CG2 3.95Å; T41-N43 PolarHBondContact O-N 3.36Å |
| 42 | K | 52 | Low | 52 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 47% | 0.465 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 106.1 | 170.9 | -76.4 | -170.5 | 179.2 | 178.5 | 0 | 108.8 | T9 Y11 Y44 | T9-K42 PolarHBondContact O-N 2.58Å; Y11-K42 HydrophobicContact CE2-CD 4.04Å; Y11-K42 HydrophobicContact CE2-CG 4.33Å; K42-Y44 HydrophobicContact CB-CD2 4.12Å; K42-Y44 HydrophobicContact CB-CE2 3.74Å; K42-Y44 HydrophobicContact CD-CE2 4.11Å; K42-Y44 PolarHBondContact O-N 3.47Å |
| 43 | N | 48.9 | Very low | 51.1 | Low | 118 Ų | 118 | 109.4 Ų | 109.4 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | trans | -81.7 | 98 | 171.6 | -165.8 | -7.7 | 0 | 0 | 0 | 108.8 | T41 C45 | T41-N43 PolarHBondContact O-N 3.36Å; N43-C45 PolarHBondContact O-N 3.48Å | ||
| 44 | Y | 44.7 | Very low | 50 | Low | 135 Ų | 135 | 106.2 Ų | 106.2 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | trans | -78.9 | 100.7 | 173.6 | -75.1 | -82.1 | 0 | 0 | 0 | 109.6 | R6 K42 H46 | R6-Y44 PolarHBondContact NH1-O 3.38Å; K42-Y44 HydrophobicContact CB-CD2 4.12Å; K42-Y44 HydrophobicContact CB-CE2 3.74Å; K42-Y44 HydrophobicContact CD-CE2 4.11Å; K42-Y44 PolarHBondContact O-N 3.47Å; Y44-H46 PolarHBondContact O-N 3.02Å | ||
| 45 | C | 45 | Very low | 49 | Very low | 99 Ų | 99 | 111.9 Ų | 111.9 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | -77.4 | 91.5 | 169.1 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | N43 | N43-C45 PolarHBondContact O-N 3.48Š| ||
| 46 | H | 39.7 | Very low | 47.9 | Very low | 143 Ų | 143 | 116.5 Ų | 116.5 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | trans | -110.9 | 141.6 | 160.5 | -82.5 | -3.7 | 0 | 0 | 0 | 110.9 | R6 Y44 L48 | R6-H46 PolarHBondContact NH1-O 3.44Å; R6-H46 PolarHBondContact NH2-O 3.45Å; Y44-H46 PolarHBondContact O-N 3.02Å; H46-L48 PolarHBondContact O-N 2.93Å | ||
| 47 | P | 47.5 | Very low | 47.4 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | trans | -59.4 | 135.9 | -176.8 | 20.5 | -29.3 | 0 | 0 | 0 | 111.7 | ||||
| 48 | L | 47.4 | Very low | 46.9 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | trans | -64.5 | 125.2 | -164.5 | -67.2 | 150.4 | 0 | 0 | 0 | 113.5 | H46 | H46-L48 PolarHBondContact O-N 2.93Š| ||
| 49 | Q | 43.6 | Very low | 46.5 | Very low | 182 Ų | 182 | 120.5 Ų | 120.5 | 85% | 0.85 | 65% | 0.645 | S | S | * | * | trans | -122.1 | 112.2 | 146 | -147.6 | 175.4 | 7.4 | 0 | 0 | 107.5 | L51 | Q49-L51 PolarHBondContact O-N 3.33Š| ||
| 50 | P | 44.8 | Very low | 45.8 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | trans | -73.7 | 122.5 | -171.1 | 25.5 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 51 | L | 49.3 | Very low | 45.6 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -94.4 | 141.3 | 174.2 | -80.6 | 156.9 | 0 | 0 | 0 | 111 | Q49 W53 | Q49-L51 PolarHBondContact O-N 3.33Å; L51-W53 VanDerWaalsContact C-N 3.3Å; L51-W53 PolarHBondContact O-N 2.87Å; L51-W53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | P | 46.1 | Very low | 45.4 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 69% | 0.688 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -3.4 | -161.1 | -17.6 | 32.7 | 0 | 0 | 0 | 116.9 | ||
| 53 | W | 41.3 | Very low | 45.4 | Very low | 233 Ų | 233 | 122 Ų | 122 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 12.7 | -168.9 | -49.1 | -42.8 | 0 | 0 | 0 | 114.8 | L51 L55 | L51-W53 VanDerWaalsContact C-N 3.3Å; L51-W53 PolarHBondContact O-N 2.87Å; L51-W53 VanDerWaalsContact O-N 3.1Å; W53-L55 PolarHBondContact O-N 2.93Å |
| 54 | S | 40.3 | Very low | 45.5 | Very low | 55 Ų | 55 | 118.8 Ų | 118.8 | 39% | 0.385 | 64% | 0.639 | S | S | . | * | trans | -82.7 | 60.1 | 180 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 55 | L | 43 | Very low | 45.9 | Very low | 173 Ų | 173 | 117.2 Ų | 117.2 | 91% | 0.906 | 64% | 0.637 | S | S | * | * | trans | -136.9 | 64.5 | 168 | -82.5 | 171.7 | 0 | 0 | 0 | 109.8 | W53 | W53-L55 PolarHBondContact O-N 2.93Š| ||
| 56 | K | 43.2 | Very low | 46.2 | Very low | 194 Ų | 194 | 116.4 Ų | 116.4 | 84% | 0.843 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -144.3 | 107 | 153.4 | -109.3 | -179 | -178.6 | 179.4 | 0 | 107.4 | P58 | K56-P58 WeakPolarHBondContact O-CD 3.45Å; K56-P58 WeakPolarHBondContact O-CG 3.31Å; K56-P58 VanDerWaalsContact O-N 3.1Å |
| 57 | D | 43.1 | Very low | 47 | Very low | 134 Ų | 134 | 110 Ų | 110 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | trans | -51.7 | 106.1 | -176 | -148.7 | -28.7 | 0 | 0 | 0 | 111 | G59 | D57-G59 VanDerWaalsContact C-N 3.29Å; D57-G59 PolarHBondContact O-N 3.39Å | ||
| 58 | P | 49.6 | Very low | 47.6 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 51% | 0.506 | 59% | 0.588 | S | S | . | * | trans | -78.8 | -12.6 | -173.3 | -9.2 | 25.1 | 0 | 0 | 0 | 113.2 | K56 H60 S61 | K56-P58 WeakPolarHBondContact O-CD 3.45Å; K56-P58 WeakPolarHBondContact O-CG 3.31Å; K56-P58 VanDerWaalsContact O-N 3.1Å; P58-H60 VanDerWaalsContact C-N 3.33Å; P58-H60 PolarHBondContact O-N 2.87Å; P58-S61 PolarHBondContact O-N 3.44Å | ||
| 59 | G | 46.2 | Very low | 48.1 | Very low | 43 Ų | 43 | 113.6 Ų | 113.6 | 44% | 0.443 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.9 | -33.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D57 | D57-G59 VanDerWaalsContact C-N 3.29Å; D57-G59 PolarHBondContact O-N 3.39Å |
| 60 | H | 41.2 | Very low | 48.7 | Very low | 160 Ų | 160 | 106.9 Ų | 106.9 | 74% | 0.741 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.8 | -24.4 | -176.5 | -94.5 | -60.5 | 0 | 0 | 0 | 114.6 | P58 S64 | P58-H60 VanDerWaalsContact C-N 3.33Å; P58-H60 PolarHBondContact O-N 2.87Å; H60-S64 VanDerWaalsContact O-CB 3.3Å; H60-S64 WeakPolarHBondContact O-CB 3.43Å; H60-S64 PolarHBondContact O-N 2.87Å |
| 61 | S | 46.8 | Very low | 49.2 | Very low | 83 Ų | 83 | 105.8 Ų | 105.8 | 58% | 0.58 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -41.7 | -173 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | P58 S64 E65 | P58-S61 PolarHBondContact O-N 3.44Å; S61-S64 PolarHBondContact O-N 3.12Å; S61-E65 WeakPolarHBondContact O-CB 3.37Å; S61-E65 PolarHBondContact O-N 3.47Å |
| 62 | V | 50.2 | Low | 50 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 52% | 0.515 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70 | -41.5 | -173.5 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | E65 L66 | V62-E65 PolarHBondContact O-N 2.85Å; V62-L66 PolarHBondContact O-N 2.8Å |
| 63 | V | 50.6 | Low | 50.4 | Low | 34 Ų | 34 | 115.1 Ų | 115.1 | 21% | 0.206 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -68 | -40.8 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | F12 E65 L66 I67 L82 | F12-V63 HydrophobicContact CE1-CG2 3.87Å; F12-V63 HydrophobicContact CE2-CG2 3.83Å; F12-V63 HydrophobicContact CZ-CG2 3.36Å; V63-E65 VanDerWaalsContact C-N 3.35Å; V63-E65 PolarHBondContact O-N 2.78Å; V63-L66 PolarHBondContact O-N 3.01Å; V63-I67 HydrophobicContact CG1-CD1 3.63Å; V63-I67 HydrophobicContact CG1-CG1 4.27Å; V63-I67 VanDerWaalsContact O-CB 3.31Å; V63-I67 WeakPolarHBondContact O-CB 3.34Å; V63-I67 WeakPolarHBondContact O-CG1 3.25Å; V63-I67 PolarHBondContact O-N 3.42Å; V63-L82 HydrophobicContact CG1-CD1 3.69Å |
| 64 | S | 51.4 | Low | 50.9 | Low | 49 Ų | 49 | 105.2 Ų | 105.2 | 34% | 0.343 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | H60 S61 I67 Q68 | H60-S64 VanDerWaalsContact O-CB 3.3Å; H60-S64 WeakPolarHBondContact O-CB 3.43Å; H60-S64 PolarHBondContact O-N 2.87Å; S61-S64 PolarHBondContact O-N 3.12Å; S64-I67 PolarHBondContact O-N 3.4Å; S64-Q68 WeakPolarHBondContact O-CB 3.37Å; S64-Q68 VanDerWaalsContact O-CG 3.25Å; S64-Q68 WeakPolarHBondContact O-CG 3.37Å; S64-Q68 PolarHBondContact O-N 3.32Å; S64-Q68 PolarHBondContact OG-NE2 3.43Å |
| 65 | E | 53.1 | Low | 51.9 | Low | 102 Ų | 102 | 103.4 Ų | 103.4 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 178.5 | -155.6 | -172.2 | 161.3 | 0 | 0 | 112 | S61 V62 V63 I67 Q68 R69 | S61-E65 WeakPolarHBondContact O-CB 3.37Å; S61-E65 PolarHBondContact O-N 3.47Å; V62-E65 PolarHBondContact O-N 2.85Å; V63-E65 VanDerWaalsContact C-N 3.35Å; V63-E65 PolarHBondContact O-N 2.78Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 PolarHBondContact O-N 2.67Å; E65-Q68 PolarHBondContact O-N 3.5Å; E65-R69 WeakPolarHBondContact O-CG 3.42Å; E65-R69 PolarHBondContact O-N 3.02Å; E65-R69 VanDerWaalsContact O-N 3.12Å; E65-R69 IonicContact OE1-CZ 3.63Å; E65-R69 IonicContact OE1-NE 3.74Å; E65-R69 IonicContact OE1-NH2 2.85Å; E65-R69 PolarHBondContact OE1-NH2 3.42Å |
| 66 | L | 51.6 | Low | 52.8 | Low | 83 Ų | 83 | 97.8 Ų | 97.8 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.1 | -164.8 | 82.5 | 0 | 0 | 0 | 111.1 | V14 V62 V63 R69 L70 | V14-L66 HydrophobicContact CG2-CD2 3.95Å; V62-L66 PolarHBondContact O-N 2.8Å; V63-L66 PolarHBondContact O-N 3.01Å; L66-R69 PolarHBondContact O-N 2.93Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 2.9Å |
| 67 | I | 56.7 | Low | 53.4 | Low | 8 Ų | 8 | 93.2 Ų | 93.2 | 4% | 0.041 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 178.5 | -73.6 | 174.5 | 0 | 0 | 0 | 111.4 | V63 S64 E65 R69 L70 S75 L78 Q79 L82 | V63-I67 HydrophobicContact CG1-CD1 3.63Å; V63-I67 HydrophobicContact CG1-CG1 4.27Å; V63-I67 VanDerWaalsContact O-CB 3.31Å; V63-I67 WeakPolarHBondContact O-CB 3.34Å; V63-I67 WeakPolarHBondContact O-CG1 3.25Å; V63-I67 PolarHBondContact O-N 3.42Å; S64-I67 PolarHBondContact O-N 3.4Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 PolarHBondContact O-N 2.67Å; I67-R69 VanDerWaalsContact C-N 3.28Å; I67-R69 PolarHBondContact O-N 3.44Å; I67-L70 WeakPolarHBondContact O-CB 3.4Å; I67-L70 PolarHBondContact O-N 3.33Å; I67-L70 VanDerWaalsContact O-N 3.12Å; I67-S75 WeakPolarHBondContact CG2-OG 3.28Å; I67-S75 WeakPolarHBondContact O-CB 3.06Å; I67-S75 PolarHBondContact O-OG 2.91Å; I67-L78 HydrophobicContact CD1-CB 4.33Å; I67-L78 HydrophobicContact CG1-CB 4.26Å; I67-L78 HydrophobicContact CG1-CD1 4.5Å; I67-Q79 HydrophobicContact CD1-CG 4.24Å; I67-Q79 HydrophobicContact CG2-CG 3.86Å; I67-L82 HydrophobicContact CD1-CD1 3.64Å |
| 68 | Q | 60.1 | Low | 53.8 | Low | 142 Ų | 142 | 88.6 Ų | 88.6 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.6 | -29 | 177.5 | -75.5 | 177.6 | 32.3 | 0 | 0 | 113.3 | S64 E65 L70 | S64-Q68 WeakPolarHBondContact O-CB 3.37Å; S64-Q68 VanDerWaalsContact O-CG 3.25Å; S64-Q68 WeakPolarHBondContact O-CG 3.37Å; S64-Q68 PolarHBondContact O-N 3.32Å; S64-Q68 PolarHBondContact OG-NE2 3.43Å; E65-Q68 PolarHBondContact O-N 3.5Å; Q68-L70 VanDerWaalsContact C-N 3.26Å |
| 69 | R | 58.9 | Low | 54.6 | Low | 192 Ų | 192 | 89.6 Ų | 89.6 | 73% | 0.725 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.2 | 174.7 | -70.3 | -176.1 | -175.7 | -165.6 | 6 | 113.3 | E65 L66 I67 | E65-R69 WeakPolarHBondContact O-CG 3.42Å; E65-R69 PolarHBondContact O-N 3.02Å; E65-R69 VanDerWaalsContact O-N 3.12Å; E65-R69 IonicContact OE1-CZ 3.63Å; E65-R69 IonicContact OE1-NE 3.74Å; E65-R69 IonicContact OE1-NH2 2.85Å; E65-R69 PolarHBondContact OE1-NH2 3.42Å; L66-R69 PolarHBondContact O-N 2.93Å; I67-R69 VanDerWaalsContact C-N 3.28Å; I67-R69 PolarHBondContact O-N 3.44Å |
| 70 | L | 55.6 | Low | 55.2 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -84.1 | 150.1 | 176.9 | -67.5 | 167.6 | 0 | 0 | 0 | 110.9 | I34 L66 I67 Q68 R72 V74 L78 | I34-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 2.9Å; I67-L70 WeakPolarHBondContact O-CB 3.4Å; I67-L70 PolarHBondContact O-N 3.33Å; I67-L70 VanDerWaalsContact O-N 3.12Å; Q68-L70 VanDerWaalsContact C-N 3.26Å; L70-R72 PolarHBondContact O-N 3.46Å; L70-V74 HydrophobicContact CB-CB 4.11Å; L70-V74 HydrophobicContact CB-CG1 4.14Å; L70-V74 HydrophobicContact CD1-CG1 3.92Å; L70-V74 HydrophobicContact CD2-CG1 4.2Å; L70-V74 HydrophobicContact CG-CG1 4.32Å; L70-L78 HydrophobicContact CD1-CD1 3.36Å |
| 71 | P | 55.7 | Low | 55.8 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | trans | -52.8 | 139.6 | 171.9 | -23.9 | 32.8 | 0 | 0 | 0 | 110.8 | R73 V74 S75 | P71-R73 PolarHBondContact O-N 3.39Å; P71-V74 HydrophobicContact CB-CG2 4.37Å; P71-V74 HydrophobicContact CG-CG2 4.44Å; P71-V74 WeakPolarHBondContact O-CA 3.39Å; P71-V74 WeakPolarHBondContact O-CB 3.24Å; P71-V74 PolarHBondContact O-N 3.46Å; P71-S75 PolarHBondContact O-N 3.31Å | ||
| 72 | R | 65.2 | Low | 56.2 | Low | 232 Ų | 232 | 86.6 Ų | 86.6 | 88% | 0.875 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -44 | -39.5 | -172.5 | -87.9 | -174.6 | 176.1 | 168.2 | -0.8 | 114.5 | L70 S75 A76 | L70-R72 PolarHBondContact O-N 3.46Å; R72-S75 PolarHBondContact O-N 2.89Å; R72-A76 WeakPolarHBondContact O-CB 3.47Å; R72-A76 PolarHBondContact O-N 2.9Å |
| 73 | R | 54.8 | Low | 56.4 | Low | 215 Ų | 215 | 87.2 Ų | 87.2 | 81% | 0.811 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.4 | -46.2 | 177.9 | -68.9 | -173.4 | 175.6 | -175.9 | -0.7 | 112.3 | P71 A76 T77 | P71-R73 PolarHBondContact O-N 3.39Å; R73-A76 PolarHBondContact O-N 3.46Å; R73-T77 PolarHBondContact O-N 3.49Å; R73-T77 VanDerWaalsContact O-N 3.14Å; R73-T77 PolarHBondContact O-OG1 2.9Å; R73-T77 VanDerWaalsContact O-OG1 3.09Å |
| 74 | V | 51.5 | Low | 56.3 | Low | 25 Ų | 25 | 91.2 Ų | 91.2 | 15% | 0.152 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | I34 L70 P71 A76 T77 L78 | I34-V74 HydrophobicContact CD1-CG1 3.58Å; I34-V74 HydrophobicContact CG1-CG1 4.24Å; L70-V74 HydrophobicContact CB-CB 4.11Å; L70-V74 HydrophobicContact CB-CG1 4.14Å; L70-V74 HydrophobicContact CD1-CG1 3.92Å; L70-V74 HydrophobicContact CD2-CG1 4.2Å; L70-V74 HydrophobicContact CG-CG1 4.32Å; P71-V74 HydrophobicContact CB-CG2 4.37Å; P71-V74 HydrophobicContact CG-CG2 4.44Å; P71-V74 WeakPolarHBondContact O-CA 3.39Å; P71-V74 WeakPolarHBondContact O-CB 3.24Å; P71-V74 PolarHBondContact O-N 3.46Å; V74-A76 VanDerWaalsContact C-N 3.35Å; V74-A76 PolarHBondContact O-N 3.13Å; V74-T77 PolarHBondContact O-N 3.42Å; V74-L78 HydrophobicContact CG1-CD1 4.47Å; V74-L78 WeakPolarHBondContact O-CB 3.46Å; V74-L78 PolarHBondContact O-N 2.93Å |
| 75 | S | 60.7 | Low | 55.7 | Low | 18 Ų | 18 | 93.5 Ų | 93.5 | 13% | 0.126 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -56 | -47.3 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 112 | I67 P71 R72 L78 Q79 | I67-S75 WeakPolarHBondContact CG2-OG 3.28Å; I67-S75 WeakPolarHBondContact O-CB 3.06Å; I67-S75 PolarHBondContact O-OG 2.91Å; P71-S75 PolarHBondContact O-N 3.31Å; R72-S75 PolarHBondContact O-N 2.89Å; S75-L78 PolarHBondContact O-N 2.73Å; S75-Q79 WeakPolarHBondContact O-CB 3.13Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 3.19Å |
| 76 | A | 62.8 | Low | 55.3 | Low | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | R72 R73 V74 Q79 A80 | R72-A76 WeakPolarHBondContact O-CB 3.47Å; R72-A76 PolarHBondContact O-N 2.9Å; R73-A76 PolarHBondContact O-N 3.46Å; V74-A76 VanDerWaalsContact C-N 3.35Å; V74-A76 PolarHBondContact O-N 3.13Å; A76-Q79 PolarHBondContact O-N 3.09Å; A76-A80 WeakPolarHBondContact O-CB 3.47Å; A76-A80 PolarHBondContact O-N 3.5Å |
| 77 | T | 56.1 | Low | 54.6 | Low | 99 Ų | 99 | 99.5 Ų | 99.5 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | R73 V74 A80 A81 | R73-T77 PolarHBondContact O-N 3.49Å; R73-T77 VanDerWaalsContact O-N 3.14Å; R73-T77 PolarHBondContact O-OG1 2.9Å; R73-T77 VanDerWaalsContact O-OG1 3.09Å; V74-T77 PolarHBondContact O-N 3.42Å; T77-A80 PolarHBondContact O-N 2.73Å; T77-A81 WeakPolarHBondContact O-CB 3.46Å; T77-A81 PolarHBondContact O-N 2.98Å |
| 78 | L | 52.2 | Low | 53.9 | Low | 37 Ų | 37 | 104 Ų | 104 | 19% | 0.194 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 176.7 | -111.3 | 159.2 | 0 | 0 | 0 | 112 | I34 I67 L70 V74 S75 A80 A81 L82 | I34-L78 HydrophobicContact CD1-CD1 3.33Å; I34-L78 HydrophobicContact CD1-CG 4.24Å; I67-L78 HydrophobicContact CD1-CB 4.33Å; I67-L78 HydrophobicContact CG1-CB 4.26Å; I67-L78 HydrophobicContact CG1-CD1 4.5Å; L70-L78 HydrophobicContact CD1-CD1 3.36Å; V74-L78 HydrophobicContact CG1-CD1 4.47Å; V74-L78 WeakPolarHBondContact O-CB 3.46Å; V74-L78 PolarHBondContact O-N 2.93Å; S75-L78 PolarHBondContact O-N 2.73Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 3.02Å; L78-A81 PolarHBondContact O-N 3.37Å; L78-L82 HydrophobicContact CD2-CD1 4.14Å; L78-L82 HydrophobicContact CD2-CG 4.39Å; L78-L82 WeakPolarHBondContact O-CB 3.39Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.14Å |
| 79 | Q | 65.2 | Low | 53 | Low | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -43 | 174.5 | -78.8 | 176.9 | -6.1 | 0 | 0 | 111.5 | I67 S75 A76 L82 S83 | I67-Q79 HydrophobicContact CD1-CG 4.24Å; I67-Q79 HydrophobicContact CG2-CG 3.86Å; S75-Q79 WeakPolarHBondContact O-CB 3.13Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 3.19Å; A76-Q79 PolarHBondContact O-N 3.09Å; Q79-L82 PolarHBondContact O-N 2.87Å; Q79-S83 VanDerWaalsContact O-CB 3.24Å; Q79-S83 WeakPolarHBondContact O-CB 3.33Å; Q79-S83 PolarHBondContact O-N 2.96Å; Q79-S83 PolarHBondContact O-OG 2.83Å |
| 80 | A | 59.4 | Low | 52.3 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A76 T77 L78 L82 S83 L84 | A76-A80 WeakPolarHBondContact O-CB 3.47Å; A76-A80 PolarHBondContact O-N 3.5Å; T77-A80 PolarHBondContact O-N 2.73Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 3.02Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 3.41Å; A80-S83 PolarHBondContact O-N 2.8Å; A80-L84 PolarHBondContact O-N 2.8Å |
| 81 | A | 53.5 | Low | 51.3 | Low | 62 Ų | 62 | 101.9 Ų | 101.9 | 51% | 0.512 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -37.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T77 L78 | T77-A81 WeakPolarHBondContact O-CB 3.46Å; T77-A81 PolarHBondContact O-N 2.98Å; L78-A81 PolarHBondContact O-N 3.37Å |
| 82 | L | 55.6 | Low | 51.5 | Low | 108 Ų | 108 | 107.5 Ų | 107.5 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.7 | -24.7 | 174.7 | -69.1 | 169.1 | 0 | 0 | 0 | 112.9 | V63 I67 L78 Q79 A80 | V63-L82 HydrophobicContact CG1-CD1 3.69Å; I67-L82 HydrophobicContact CD1-CD1 3.64Å; L78-L82 HydrophobicContact CD2-CD1 4.14Å; L78-L82 HydrophobicContact CD2-CG 4.39Å; L78-L82 WeakPolarHBondContact O-CB 3.39Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.14Å; Q79-L82 PolarHBondContact O-N 2.87Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 3.41Å |
| 83 | S | 55 | Low | 50.8 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -85.2 | -16.5 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | Q79 A80 P85 | Q79-S83 VanDerWaalsContact O-CB 3.24Å; Q79-S83 WeakPolarHBondContact O-CB 3.33Å; Q79-S83 PolarHBondContact O-N 2.96Å; Q79-S83 PolarHBondContact O-OG 2.83Å; A80-S83 PolarHBondContact O-N 2.8Å; S83-P85 WeakPolarHBondContact O-CD 3.33Å |
| 84 | L | 47.8 | Very low | 50.6 | Low | 119 Ų | 119 | 95.3 Ų | 95.3 | 62% | 0.623 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -64.6 | 121.3 | 174.7 | -104.5 | 141 | 0 | 0 | 0 | 108.4 | A80 Q86 | A80-L84 PolarHBondContact O-N 2.8Å; L84-Q86 PolarHBondContact O-N 2.96Å; L84-Q86 VanDerWaalsContact O-N 3.13Å |
| 85 | P | 39.3 | Very low | 50.6 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | trans | -58.1 | 125.5 | 170.8 | 22.6 | -29.2 | 0 | 0 | 0 | 107 | S83 T87 | S83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-T87 PolarHBondContact O-N 2.78Å; P85-T87 PolarHBondContact O-OG1 2.79Å | ||
| 86 | Q | 44.8 | Very low | 50 | Low | 194 Ų | 194 | 103.9 Ų | 103.9 | 91% | 0.907 | 65% | 0.654 | S | S | * | * | trans | -65.8 | 79.5 | 167.5 | -65.1 | -153.8 | -53.2 | 0 | 0 | 107.2 | L84 P88 | L84-Q86 PolarHBondContact O-N 2.96Å; L84-Q86 VanDerWaalsContact O-N 3.13Å; Q86-P88 WeakPolarHBondContact O-CD 3.47Å; Q86-P88 VanDerWaalsContact O-N 3.16Å | ||
| 87 | T | 35.6 | Very low | 49.2 | Very low | 116 Ų | 116 | 107.1 Ų | 107.1 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | trans | -67.9 | 110 | 168.8 | -46.3 | 0 | 0 | 0 | 0 | 105 | P85 | P85-T87 PolarHBondContact O-N 2.78Å; P85-T87 PolarHBondContact O-OG1 2.79Å | ||
| 88 | P | 42.5 | Very low | 48.7 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | -58.6 | 144.7 | 176.9 | 26 | -32.4 | 0 | 0 | 0 | 108.1 | Q86 A90 | Q86-P88 WeakPolarHBondContact O-CD 3.47Å; Q86-P88 VanDerWaalsContact O-N 3.16Å; P88-A90 PolarHBondContact O-N 3.22Å | ||
| 89 | P | 41.9 | Very low | 48.5 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -54.3 | 120.2 | -179.7 | 22.5 | -31.9 | 0 | 0 | 0 | 108.4 | S91 | P89-S91 PolarHBondContact O-N 3.11Š| ||
| 90 | A | 42.2 | Very low | 47.2 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | -59.4 | 108.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | P88 P92 | P88-A90 PolarHBondContact O-N 3.22Å; A90-P92 WeakPolarHBondContact O-CD 3.43Å | ||
| 91 | S | 36.2 | Very low | 46.2 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -67.6 | 127.3 | 164.4 | -67.3 | 0 | 0 | 0 | 0 | 108.4 | P89 | P89-S91 PolarHBondContact O-N 3.11Š| ||
| 92 | P | 59.5 | Low | 45.5 | Very low | 197 Ų | 197 | 123.9 Ų | 123.9 | 100% | 1.279 | 77% | 0.768 | S | S | * | * | trans | -71.9 | 0 | 149 | 23.1 | -14.3 | 0 | 0 | 0 | 111 | A90 | A90-P92 WeakPolarHBondContact O-CD 3.43Š|
Retrieved 92 of 92 residues in 62.7 ms
(Link to these results)