| 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 | 48.1 | Very low | 84.4 | Confident | 246 Ų | 246 | 124.2 Ų | 124.2 | 100% | 1.212 | 65% | 0.65 | S | S | * | * | 0 | 77 | 0 | -66 | -176.5 | 177.5 | 0 | 0 | 107.9 | G3 | M1-G3 PolarHBondContact O-N 3.45Š| |||
| 2 | T | 61.2 | Low | 85.4 | Confident | 143 Ų | 143 | 119.6 Ų | 119.6 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | trans | -83.1 | 107.9 | -174.4 | 40.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | G | 83.3 | Confident | 86.2 | Confident | 65 Ų | 65 | 119.2 Ų | 119.2 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | trans | -67.5 | -174.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 | M1-G3 PolarHBondContact O-N 3.45Š| ||
| 4 | Y | 85.9 | Confident | 86.9 | Confident | 146 Ų | 146 | 118.6 Ų | 118.6 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | trans | -53.2 | 138.9 | -178.1 | -61.3 | -75.2 | 0 | 0 | 0 | 113.6 | E8 K9 L12 | Y4-E8 WeakPolarHBondContact CA-OE2 3.41Å; Y4-E8 HydrophobicContact CD1-CB 4.23Å; Y4-K9 HydrophobicContact CG-CG 4.5Å; Y4-K9 VanDerWaalsContact O-CE 3.23Å; Y4-K9 WeakPolarHBondContact O-CE 3.31Å; Y4-L12 HydrophobicContact CD1-CD1 4.01Å; Y4-L12 HydrophobicContact CE1-CD1 3.85Å; Y4-L12 HydrophobicContact CG-CD1 4.4Å | ||
| 5 | T | 90.9 | Very high | 87.6 | Confident | 65 Ų | 65 | 116.7 Ų | 116.7 | 40% | 0.399 | 60% | 0.602 | S | S | . | * | trans | -66.3 | 157.8 | 170.2 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | D7 E8 K9 | T5-D7 PolarHBondContact O-N 3.32Å; T5-E8 PolarHBondContact N-OE2 3.27Å; T5-E8 PolarHBondContact O-N 3.08Å; T5-E8 WeakPolarHBondContact OG1-CG 3.29Å; T5-E8 PolarHBondContact OG1-N 3.36Å; T5-E8 PolarHBondContact OG1-OE2 2.96Å; T5-K9 WeakPolarHBondContact O-CG 3.4Å; T5-K9 PolarHBondContact O-N 3.06Å | ||
| 6 | P | 90.8 | Very high | 88.2 | Confident | 106 Ų | 106 | 117.8 Ų | 117.8 | 69% | 0.688 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -54.2 | -39.3 | 179 | -27.4 | 36 | 0 | 0 | 0 | 113.5 | K9 L10 | P6-K9 PolarHBondContact O-N 3.11Å; P6-L10 PolarHBondContact O-N 3.38Å |
| 7 | D | 92.3 | Very high | 88.7 | Confident | 126 Ų | 126 | 115.5 Ų | 115.5 | 67% | 0.674 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70 | -38.9 | 179.8 | -62.5 | -28.7 | 0 | 0 | 0 | 112.3 | T5 K9 L10 R11 | T5-D7 PolarHBondContact O-N 3.32Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 2.85Å; D7-L10 PolarHBondContact O-N 3.27Å; D7-R11 WeakPolarHBondContact O-CB 3.43Å; D7-R11 PolarHBondContact O-N 3.35Å |
| 8 | E | 93 | Very high | 89.2 | Confident | 92 Ų | 92 | 114.9 Ų | 114.9 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 173.7 | -73.9 | 165.7 | -177.8 | 0 | 0 | 111.5 | Y4 T5 R11 L12 | Y4-E8 WeakPolarHBondContact CA-OE2 3.41Å; Y4-E8 HydrophobicContact CD1-CB 4.23Å; T5-E8 PolarHBondContact N-OE2 3.27Å; T5-E8 PolarHBondContact O-N 3.08Å; T5-E8 WeakPolarHBondContact OG1-CG 3.29Å; T5-E8 PolarHBondContact OG1-N 3.36Å; T5-E8 PolarHBondContact OG1-OE2 2.96Å; E8-R11 PolarHBondContact O-N 2.81Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.24Å; E8-L12 WeakPolarHBondContact O-CG 3.33Å; E8-L12 PolarHBondContact O-N 2.88Å |
| 9 | K | 93.1 | Very high | 89.6 | Confident | 114 Ų | 114 | 116.6 Ų | 116.6 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.8 | -44 | 175.6 | -70 | 178.1 | -179.4 | 170.1 | 0 | 111.3 | Y4 T5 P6 D7 L12 Q13 | Y4-K9 HydrophobicContact CG-CG 4.5Å; Y4-K9 VanDerWaalsContact O-CE 3.23Å; Y4-K9 WeakPolarHBondContact O-CE 3.31Å; T5-K9 WeakPolarHBondContact O-CG 3.4Å; T5-K9 PolarHBondContact O-N 3.06Å; P6-K9 PolarHBondContact O-N 3.11Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 2.85Å; K9-L12 PolarHBondContact O-N 2.94Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 3.5Å |
| 10 | L | 94.9 | Very high | 90 | Very high | 92 Ų | 92 | 119.4 Ų | 119.4 | 48% | 0.482 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.7 | -47 | 176.8 | -177.6 | 66.3 | 0 | 0 | 0 | 110.8 | P6 D7 L12 Q13 Q14 | P6-L10 PolarHBondContact O-N 3.38Å; D7-L10 PolarHBondContact O-N 3.27Å; L10-L12 PolarHBondContact O-N 2.87Å; L10-Q13 PolarHBondContact O-N 2.75Å; L10-Q14 WeakPolarHBondContact O-CG 3.5Å; L10-Q14 PolarHBondContact O-N 3.28Å |
| 11 | R | 95.1 | Very high | 90.3 | Very high | 171 Ų | 171 | 118.7 Ų | 118.7 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.7 | -44 | 177.9 | -174.4 | -179.7 | 177.8 | 105.4 | -0.5 | 112.4 | D7 E8 Q13 Q14 L15 | D7-R11 WeakPolarHBondContact O-CB 3.43Å; D7-R11 PolarHBondContact O-N 3.35Å; E8-R11 PolarHBondContact O-N 2.81Å; R11-Q13 VanDerWaalsContact C-N 3.31Å; R11-Q13 PolarHBondContact O-N 3.49Å; R11-Q14 PolarHBondContact O-N 3.44Å; R11-L15 HydrophobicContact CG-CD1 4.29Å; R11-L15 WeakPolarHBondContact O-CG 3.26Å; R11-L15 PolarHBondContact O-N 2.86Å |
| 12 | L | 96 | Very high | 92.6 | Very high | 69 Ų | 69 | 114 Ų | 114 | 36% | 0.361 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -36.2 | 178 | -73.7 | 173 | 0 | 0 | 0 | 112.1 | Y4 E8 K9 L10 R16 | Y4-L12 HydrophobicContact CD1-CD1 4.01Å; Y4-L12 HydrophobicContact CE1-CD1 3.85Å; Y4-L12 HydrophobicContact CG-CD1 4.4Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.24Å; E8-L12 WeakPolarHBondContact O-CG 3.33Å; E8-L12 PolarHBondContact O-N 2.88Å; K9-L12 PolarHBondContact O-N 2.94Å; L10-L12 PolarHBondContact O-N 2.87Å; L12-R16 WeakPolarHBondContact O-CB 3.43Å; L12-R16 PolarHBondContact O-N 3.36Å |
| 13 | Q | 95.4 | Very high | 94.3 | Very high | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 173.7 | -74.8 | 178.2 | -5.4 | 0 | 0 | 111.6 | K9 L10 R11 R16 V17 | K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 3.5Å; L10-Q13 PolarHBondContact O-N 2.75Å; R11-Q13 VanDerWaalsContact C-N 3.31Å; R11-Q13 PolarHBondContact O-N 3.49Å; Q13-R16 WeakPolarHBondContact O-CB 3.4Å; Q13-R16 PolarHBondContact O-N 3.23Å; Q13-V17 WeakPolarHBondContact O-CG2 3.28Å; Q13-V17 PolarHBondContact O-N 3.49Å |
| 14 | Q | 96.3 | Very high | 94.9 | Very high | 110 Ų | 110 | 115.2 Ų | 115.2 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 176.2 | -71.7 | 171.8 | -10.9 | 0 | 0 | 111.7 | L10 R11 R16 V17 L18 | L10-Q14 WeakPolarHBondContact O-CG 3.5Å; L10-Q14 PolarHBondContact O-N 3.28Å; R11-Q14 PolarHBondContact O-N 3.44Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 3.42Å; Q14-V17 PolarHBondContact O-N 3.19Å; Q14-L18 WeakPolarHBondContact O-CG 3.31Å; Q14-L18 PolarHBondContact O-N 3.01Å; Q14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | L | 97.5 | Very high | 95.4 | Very high | 90 Ų | 90 | 113.9 Ų | 113.9 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -36 | 176.6 | -72 | 174.3 | 0 | 0 | 0 | 112.3 | R11 L18 R19 | R11-L15 HydrophobicContact CG-CD1 4.29Å; R11-L15 WeakPolarHBondContact O-CG 3.26Å; R11-L15 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 3.26Å; L15-R19 VanDerWaalsContact O-CB 3.23Å; L15-R19 WeakPolarHBondContact O-CB 3.14Å; L15-R19 PolarHBondContact O-N 3.31Å |
| 16 | R | 96.6 | Very high | 95.6 | Very high | 135 Ų | 135 | 116.2 Ų | 116.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 177.4 | -172.5 | 178.8 | -65.2 | 150.8 | 0.1 | 112 | L12 Q13 Q14 R20 | L12-R16 WeakPolarHBondContact O-CB 3.43Å; L12-R16 PolarHBondContact O-N 3.36Å; Q13-R16 WeakPolarHBondContact O-CB 3.4Å; Q13-R16 PolarHBondContact O-N 3.23Å; Q14-R16 VanDerWaalsContact C-N 3.28Å; Q14-R16 PolarHBondContact O-N 3.42Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 2.86Å |
| 17 | V | 97.4 | Very high | 95.6 | Very high | 78 Ų | 78 | 118.3 Ų | 118.3 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -48.8 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | Q13 Q14 R19 R20 Q21 | Q13-V17 WeakPolarHBondContact O-CG2 3.28Å; Q13-V17 PolarHBondContact O-N 3.49Å; Q14-V17 PolarHBondContact O-N 3.19Å; V17-R19 VanDerWaalsContact C-N 3.29Å; V17-R19 PolarHBondContact O-N 2.9Å; V17-R20 PolarHBondContact O-N 3.4Å; V17-R20 VanDerWaalsContact O-N 3.14Å; V17-Q21 PolarHBondContact O-N 2.93Å |
| 18 | L | 97.7 | Very high | 95.5 | Very high | 105 Ų | 105 | 119 Ų | 119 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 176.4 | -67.4 | 173.4 | 0 | 0 | 0 | 111.6 | Q14 L15 R20 Q21 W22 | Q14-L18 WeakPolarHBondContact O-CG 3.31Å; Q14-L18 PolarHBondContact O-N 3.01Å; Q14-L18 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.26Å; L18-R20 PolarHBondContact O-N 2.86Å; L18-Q21 PolarHBondContact O-N 2.98Å; L18-W22 WeakPolarHBondContact O-CB 3.45Å; L18-W22 PolarHBondContact O-N 3.4Å |
| 19 | R | 97.1 | Very high | 95.3 | Very high | 147 Ų | 147 | 118 Ų | 118 | 56% | 0.555 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 177.4 | -176.1 | 58 | 175.5 | -179.8 | 1.3 | 112.2 | L15 V17 L23 | L15-R19 VanDerWaalsContact O-CB 3.23Å; L15-R19 WeakPolarHBondContact O-CB 3.14Å; L15-R19 PolarHBondContact O-N 3.31Å; V17-R19 VanDerWaalsContact C-N 3.29Å; V17-R19 PolarHBondContact O-N 2.9Å; R19-L23 HydrophobicContact CG-CD1 4.07Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.41Å; R19-L23 WeakPolarHBondContact O-CG 3.49Å; R19-L23 PolarHBondContact O-N 3.06Å |
| 20 | R | 97.1 | Very high | 95.1 | Very high | 172 Ų | 172 | 119.2 Ų | 119.2 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -39.7 | 177 | -75.9 | 172.2 | 178.9 | -177.3 | -1.6 | 112 | R16 V17 L18 K24 | R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 2.86Å; V17-R20 PolarHBondContact O-N 3.4Å; V17-R20 VanDerWaalsContact O-N 3.14Å; L18-R20 PolarHBondContact O-N 2.86Å; R20-K24 WeakPolarHBondContact O-CB 3.3Å; R20-K24 PolarHBondContact O-N 2.89Å |
| 21 | Q | 96.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 125.5 Ų | 125.5 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.3 | -49.3 | 174.5 | -72.9 | 172.9 | -25.6 | 0 | 0 | 111 | V17 L18 L23 K24 D25 | V17-Q21 PolarHBondContact O-N 2.93Å; L18-Q21 PolarHBondContact O-N 2.98Å; Q21-L23 VanDerWaalsContact C-N 3.3Å; Q21-L23 PolarHBondContact O-N 3.42Å; Q21-K24 CarbonylContact O-C 3.59Å; Q21-K24 WeakPolarHBondContact O-CA 3.26Å; Q21-K24 WeakPolarHBondContact O-CB 3.25Å; Q21-K24 PolarHBondContact O-N 3.43Å; Q21-D25 VanDerWaalsContact O-CG 3.26Å; Q21-D25 PolarHBondContact O-N 3.44Å |
| 22 | W | 96.9 | Very high | 94.1 | Very high | 148 Ų | 148 | 122.8 Ų | 122.8 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.1 | -43.4 | 175.9 | -179.4 | -92.8 | 0 | 0 | 0 | 112.7 | L18 K24 D25 Q26 | L18-W22 WeakPolarHBondContact O-CB 3.45Å; L18-W22 PolarHBondContact O-N 3.4Å; W22-K24 VanDerWaalsContact C-N 3.3Å; W22-K24 PolarHBondContact O-N 3.35Å; W22-D25 PolarHBondContact O-N 2.88Å; W22-Q26 WeakPolarHBondContact O-CG 3.33Å; W22-Q26 PolarHBondContact O-N 3.22Å |
| 23 | L | 96.7 | Very high | 93.7 | Very high | 88 Ų | 88 | 126 Ų | 126 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 177 | -73.9 | 169.8 | 0 | 0 | 0 | 112.3 | R19 Q21 D25 Q26 | R19-L23 HydrophobicContact CG-CD1 4.07Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.41Å; R19-L23 WeakPolarHBondContact O-CG 3.49Å; R19-L23 PolarHBondContact O-N 3.06Å; Q21-L23 VanDerWaalsContact C-N 3.3Å; Q21-L23 PolarHBondContact O-N 3.42Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-Q26 PolarHBondContact O-N 3.41Å |
| 24 | K | 95.9 | Very high | 93.4 | Very high | 144 Ų | 144 | 126.8 Ų | 126.8 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -36.1 | 174.4 | -167.6 | 177.9 | -178 | -177.4 | 0 | 111.6 | R20 Q21 W22 Q26 E27 | R20-K24 WeakPolarHBondContact O-CB 3.3Å; R20-K24 PolarHBondContact O-N 2.89Å; Q21-K24 CarbonylContact O-C 3.59Å; Q21-K24 WeakPolarHBondContact O-CA 3.26Å; Q21-K24 WeakPolarHBondContact O-CB 3.25Å; Q21-K24 PolarHBondContact O-N 3.43Å; W22-K24 VanDerWaalsContact C-N 3.3Å; W22-K24 PolarHBondContact O-N 3.35Å; K24-Q26 PolarHBondContact O-N 3.45Å; K24-E27 WeakPolarHBondContact O-CB 3.3Å; K24-E27 PolarHBondContact O-N 3.22Å; K24-E27 VanDerWaalsContact O-N 3.09Å |
| 25 | D | 95.5 | Very high | 93.1 | Very high | 119 Ų | 119 | 128.8 Ų | 128.8 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.5 | -14.8 | 176.9 | -61.7 | -23.5 | 0 | 0 | 0 | 112.9 | Q21 W22 L23 E27 | Q21-D25 VanDerWaalsContact O-CG 3.26Å; Q21-D25 PolarHBondContact O-N 3.44Å; W22-D25 PolarHBondContact O-N 2.88Å; L23-D25 VanDerWaalsContact C-N 3.34Å; D25-E27 VanDerWaalsContact C-N 3.31Å |
| 26 | Q | 94.3 | Very high | 92.8 | Very high | 113 Ų | 113 | 129.5 Ų | 129.5 | 53% | 0.528 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -8.5 | 170.6 | -64.2 | -61.1 | -78.3 | 0 | 0 | 113.1 | W22 L23 K24 L28 | W22-Q26 WeakPolarHBondContact O-CG 3.33Å; W22-Q26 PolarHBondContact O-N 3.22Å; L23-Q26 PolarHBondContact O-N 3.41Å; K24-Q26 PolarHBondContact O-N 3.45Å; Q26-L28 PolarHBondContact O-N 3.36Å |
| 27 | E | 92.6 | Very high | 92.4 | Very high | 150 Ų | 150 | 129.1 Ų | 129.1 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | trans | -71.1 | 104 | 173 | -64.1 | 179.2 | -179.7 | 0 | 0 | 108.9 | K24 D25 | K24-E27 WeakPolarHBondContact O-CB 3.3Å; K24-E27 PolarHBondContact O-N 3.22Å; K24-E27 VanDerWaalsContact O-N 3.09Å; D25-E27 VanDerWaalsContact C-N 3.31Å | ||
| 28 | L | 89.8 | Confident | 91.9 | Very high | 141 Ų | 141 | 136.7 Ų | 136.7 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -71 | 135.1 | 177.5 | -79.7 | 145.9 | 0 | 0 | 0 | 110.5 | Q26 | Q26-L28 PolarHBondContact O-N 3.36Š| ||
| 29 | S | 87.7 | Confident | 91.3 | Very high | 70 Ų | 70 | 141.8 Ų | 141.8 | 49% | 0.49 | 69% | 0.692 | S | S | . | * | trans | -70.6 | 151.8 | 171.4 | 83 | 0 | 0 | 0 | 0 | 110.1 | R31 | S29-R31 PolarHBondContact O-N 2.96Å; S29-R31 PolarHBondContact OG-N 3.02Å | ||
| 30 | P | 88.7 | Confident | 91 | Very high | 140 Ų | 140 | 137.8 Ų | 137.8 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -60.9 | -8.5 | 177.8 | -25.1 | 34.4 | 0 | 0 | 0 | 115.5 | E32 | P30-E32 PolarHBondContact O-N 2.95Š|
| 31 | R | 86.6 | Confident | 90.7 | Very high | 225 Ų | 225 | 138.2 Ų | 138.2 | 85% | 0.849 | 69% | 0.686 | S | S | * | * | trans | -96.1 | 78.8 | -178.9 | -65.6 | -172 | 177.1 | 101 | -0.6 | 109.8 | S29 | S29-R31 PolarHBondContact O-N 2.96Å; S29-R31 PolarHBondContact OG-N 3.02Å | ||
| 32 | E | 84.2 | Confident | 90.5 | Very high | 114 Ų | 114 | 138 Ų | 138 | 53% | 0.533 | 69% | 0.693 | S | S | . | * | trans | -90 | 145.7 | 171.9 | -65.9 | -176 | 175 | 0 | 0 | 110.7 | P30 V34 | P30-E32 PolarHBondContact O-N 2.95Å; E32-V34 PolarHBondContact O-N 3.41Å | ||
| 33 | P | 86.5 | Confident | 90.2 | Very high | 136 Ų | 136 | 134.7 Ų | 134.7 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | trans | -67.5 | 105.6 | 171.4 | 28.1 | -32.4 | 0 | 0 | 0 | 109.4 | ||||
| 34 | V | 88.8 | Confident | 89.9 | Confident | 132 Ų | 132 | 135.6 Ų | 135.6 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 139.4 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | E32 | E32-V34 PolarHBondContact O-N 3.41Š|
| 35 | L | 91.7 | Very high | 89.8 | Confident | 151 Ų | 151 | 131 Ų | 131 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 146.9 | 170.9 | -66.8 | 174.9 | 0 | 0 | 0 | 110.3 | ||
| 36 | P | 90.3 | Very high | 89.7 | Confident | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 145.8 | 175.6 | 25.1 | -33.9 | 0 | 0 | 0 | 110.4 | R38 | P36-R38 PolarHBondContact O-N 3.35Š|
| 37 | P | 87.1 | Confident | 89.8 | Confident | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 137.9 | -178.7 | 24.1 | -32.6 | 0 | 0 | 0 | 110.5 | ||
| 38 | R | 87.4 | Confident | 89.8 | Confident | 237 Ų | 237 | 123.9 Ų | 123.9 | 89% | 0.894 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 139.6 | 174.4 | -68.5 | -176.8 | 178.5 | -179.1 | -0.5 | 109.5 | P36 T40 | P36-R38 PolarHBondContact O-N 3.35Å; R38-T40 PolarHBondContact O-N 3Å; R38-T40 VanDerWaalsContact O-N 3.12Å |
| 39 | K | 86.4 | Confident | 90 | Very high | 212 Ų | 212 | 121.8 Ų | 121.8 | 92% | 0.922 | 63% | 0.625 | S | S | * | * | trans | -66.3 | 111.8 | 175.4 | -167 | 175.9 | -176.2 | -180 | 0 | 108.9 | ||||
| 40 | T | 89.4 | Confident | 90.2 | Very high | 64 Ų | 64 | 121 Ų | 121 | 39% | 0.393 | 61% | 0.613 | S | S | . | * | trans | -76.2 | 144.4 | 177.1 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | R38 T45 | R38-T40 PolarHBondContact O-N 3Å; R38-T40 VanDerWaalsContact O-N 3.12Å; T40-T45 PolarHBondContact OG1-OG1 3.49Å | ||
| 41 | W | 90.8 | Very high | 90.5 | Very high | 181 Ų | 181 | 116 Ų | 116 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | trans | -67 | 147.6 | 174.8 | -173.3 | -82.8 | 0 | 0 | 0 | 110.1 | L43 E44 T45 | W41-L43 PolarHBondContact O-N 3.27Å; W41-L43 VanDerWaalsContact O-N 3.07Å; W41-E44 HydrophobicContact CB-CG 4.16Å; W41-E44 PolarHBondContact N-OE2 2.93Å; W41-E44 VanDerWaalsContact N-OE2 3.16Å; W41-E44 WeakPolarHBondContact O-CA 3.23Å; W41-E44 WeakPolarHBondContact O-CB 3.34Å; W41-E44 PolarHBondContact O-N 3Å; W41-T45 PolarHBondContact O-N 3.26Å; W41-T45 PolarHBondContact O-OG1 3.35Å | ||
| 42 | P | 93 | Very high | 90.9 | Very high | 100 Ų | 100 | 115 Ų | 115 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -50 | -38.9 | -178.1 | -31.1 | 35.4 | 0 | 0 | 0 | 115 | T45 F46 | P42-T45 WeakPolarHBondContact O-CB 3.19Å; P42-T45 PolarHBondContact O-N 2.99Å; P42-F46 PolarHBondContact O-N 3.03Å |
| 43 | L | 91.1 | Very high | 91.2 | Very high | 80 Ų | 80 | 115.2 Ų | 115.2 | 42% | 0.419 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -40.5 | 174.4 | -170 | 59.2 | 0 | 0 | 0 | 113.5 | W41 T45 F46 W47 Y65 | W41-L43 PolarHBondContact O-N 3.27Å; W41-L43 VanDerWaalsContact O-N 3.07Å; L43-T45 VanDerWaalsContact C-N 3.33Å; L43-F46 HydrophobicContact CD1-CD1 4.46Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.41Å; L43-W47 PolarHBondContact O-N 3.49Å; L43-Y65 WeakPolarHBondContact CD2-OH 3.47Å |
| 44 | E | 91.1 | Very high | 91.3 | Very high | 106 Ų | 106 | 110.2 Ų | 110.2 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -41.9 | 174.4 | -66.6 | 177.5 | 160 | 0 | 0 | 110.4 | W41 F46 W47 N48 | W41-E44 HydrophobicContact CB-CG 4.16Å; W41-E44 PolarHBondContact N-OE2 2.93Å; W41-E44 VanDerWaalsContact N-OE2 3.16Å; W41-E44 WeakPolarHBondContact O-CA 3.23Å; W41-E44 WeakPolarHBondContact O-CB 3.34Å; W41-E44 PolarHBondContact O-N 3Å; E44-F46 VanDerWaalsContact C-N 3.32Å; E44-F46 PolarHBondContact O-N 3.02Å; E44-W47 PolarHBondContact O-N 2.91Å; E44-N48 WeakPolarHBondContact O-CB 3.21Å; E44-N48 PolarHBondContact O-N 3.42Å; E44-N48 PolarHBondContact O-ND2 2.97Å |
| 45 | T | 93.3 | Very high | 91.6 | Very high | 49 Ų | 49 | 105.3 Ų | 105.3 | 30% | 0.301 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | T40 W41 P42 L43 N48 N49 | T40-T45 PolarHBondContact OG1-OG1 3.49Å; W41-T45 PolarHBondContact O-N 3.26Å; W41-T45 PolarHBondContact O-OG1 3.35Å; P42-T45 WeakPolarHBondContact O-CB 3.19Å; P42-T45 PolarHBondContact O-N 2.99Å; L43-T45 VanDerWaalsContact C-N 3.33Å; T45-N48 PolarHBondContact O-N 3.48Å; T45-N49 WeakPolarHBondContact O-CB 3.4Å; T45-N49 VanDerWaalsContact O-CG 3.3Å; T45-N49 PolarHBondContact O-N 3.27Å; T45-N49 PolarHBondContact O-ND2 3.3Å |
| 46 | F | 94.1 | Very high | 91.7 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 173.6 | 168 | -95.2 | 0 | 0 | 0 | 111.7 | P42 L43 E44 N48 N49 F50 | P42-F46 PolarHBondContact O-N 3.03Å; L43-F46 HydrophobicContact CD1-CD1 4.46Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.41Å; E44-F46 VanDerWaalsContact C-N 3.32Å; E44-F46 PolarHBondContact O-N 3.02Å; F46-N48 VanDerWaalsContact C-N 3.34Å; F46-N48 PolarHBondContact O-N 2.91Å; F46-N49 PolarHBondContact O-N 3.33Å; F46-F50 HydrophobicContact CZ-CB 4.48Å; F46-F50 WeakPolarHBondContact O-CB 3.09Å; F46-F50 PolarHBondContact O-N 3.45Å |
| 47 | W | 94.4 | Very high | 92 | Very high | 30 Ų | 30 | 107 Ų | 107 | 11% | 0.114 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | -179.4 | -76.2 | 118.8 | 0 | 0 | 0 | 112.4 | L43 E44 N49 F50 L51 I61 F62 Y65 | L43-W47 PolarHBondContact O-N 3.49Å; E44-W47 PolarHBondContact O-N 2.91Å; W47-N49 VanDerWaalsContact C-N 3.35Å; W47-N49 PolarHBondContact O-N 2.98Å; W47-F50 AromaticContact CE3-CD1 3.93Å; W47-F50 HydrophobicContact CE3-CD1 3.93Å; W47-F50 AromaticContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CE1 4.11Å; W47-F50 PolarHBondContact O-N 2.94Å; W47-L51 WeakPolarHBondContact O-CB 3.5Å; W47-L51 VanDerWaalsContact O-CG 3.22Å; W47-L51 WeakPolarHBondContact O-CG 3.47Å; W47-L51 PolarHBondContact O-N 3.49Å; W47-I61 HydrophobicContact CH2-CG2 4.23Å; W47-I61 HydrophobicContact CZ3-CG2 4.37Å; W47-F62 HydrophobicContact CB-CD2 4.22Å; W47-F62 HydrophobicContact CB-CE2 3.8Å; W47-F62 AromaticContact CD2-CD2 3.59Å; W47-F62 HydrophobicContact CD2-CD2 3.59Å; W47-F62 AromaticContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CE3-CB 4.39Å; W47-F62 AromaticContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CE2 4.27Å; W47-F62 HydrophobicContact CE3-CG 4.4Å; W47-F62 AromaticContact CG-CD2 3.9Å; W47-F62 HydrophobicContact CG-CD2 3.9Å; W47-F62 AromaticContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CZ3-CB 4.38Å; W47-F62 HydrophobicContact CZ3-CD2 4.13Å; W47-Y65 AromaticContact CE2-CD1 3.78Å; W47-Y65 AromaticContact CE2-CE1 3.76Å; W47-Y65 HydrophobicContact CH2-CD1 4.48Å; W47-Y65 HydrophobicContact CH2-CG 4.27Å; W47-Y65 AromaticContact CZ2-CD1 3.68Å; W47-Y65 HydrophobicContact CZ2-CD1 3.68Å; W47-Y65 AromaticContact CZ2-CD2 3.95Å; W47-Y65 HydrophobicContact CZ2-CD2 3.95Å; W47-Y65 AromaticContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE2 4.23Å; W47-Y65 AromaticContact CZ2-CG 3.65Å; W47-Y65 HydrophobicContact CZ2-CG 3.65Å; W47-Y65 AromaticContact NE1-CD1 3.83Å; W47-Y65 AromaticContact NE1-CE1 3.31Å; W47-Y65 VanDerWaalsContact NE1-CE1 3.31Å; W47-Y65 AromaticContact NE1-CZ 3.66Å |
| 48 | N | 92.6 | Very high | 92.3 | Very high | 95 Ų | 95 | 102.3 Ų | 102.3 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.6 | -71.5 | -21 | 0 | 0 | 0 | 111.5 | E44 T45 F46 R52 | E44-N48 WeakPolarHBondContact O-CB 3.21Å; E44-N48 PolarHBondContact O-N 3.42Å; E44-N48 PolarHBondContact O-ND2 2.97Å; T45-N48 PolarHBondContact O-N 3.48Å; F46-N48 VanDerWaalsContact C-N 3.34Å; F46-N48 PolarHBondContact O-N 2.91Å; N48-R52 PolarHBondContact O-N 3.24Å |
| 49 | N | 94.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 96.4 Ų | 96.4 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 176.1 | -72.7 | -26.9 | 0 | 0 | 0 | 112 | T45 F46 W47 L51 R52 | T45-N49 WeakPolarHBondContact O-CB 3.4Å; T45-N49 VanDerWaalsContact O-CG 3.3Å; T45-N49 PolarHBondContact O-N 3.27Å; T45-N49 PolarHBondContact O-ND2 3.3Å; F46-N49 PolarHBondContact O-N 3.33Å; W47-N49 VanDerWaalsContact C-N 3.35Å; W47-N49 PolarHBondContact O-N 2.98Å; N49-L51 VanDerWaalsContact C-N 3.3Å; N49-L51 PolarHBondContact O-N 2.82Å; N49-R52 WeakPolarHBondContact O-CB 3.32Å; N49-R52 PolarHBondContact O-N 3.33Å |
| 50 | F | 93.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 23% | 0.228 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 179.3 | -178.5 | -107.3 | 0 | 0 | 0 | 111.8 | F46 W47 R52 W57 K58 | F46-F50 HydrophobicContact CZ-CB 4.48Å; F46-F50 WeakPolarHBondContact O-CB 3.09Å; F46-F50 PolarHBondContact O-N 3.45Å; W47-F50 AromaticContact CE3-CD1 3.93Å; W47-F50 HydrophobicContact CE3-CD1 3.93Å; W47-F50 AromaticContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CD1 3.83Å; W47-F50 HydrophobicContact CZ3-CE1 4.11Å; W47-F50 PolarHBondContact O-N 2.94Å; F50-R52 VanDerWaalsContact C-N 3.33Å; F50-W57 HydrophobicContact CE2-CH2 4.37Å; F50-W57 AromaticContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CZ3 4.04Å; F50-K58 HydrophobicContact CD1-CB 4.19Å; F50-K58 HydrophobicContact CD1-CD 4.19Å; F50-K58 HydrophobicContact CD1-CG 4.42Å; F50-K58 HydrophobicContact CD2-CD 4.37Å; F50-K58 HydrophobicContact CE1-CB 3.62Å; F50-K58 HydrophobicContact CE1-CD 3.92Å; F50-K58 HydrophobicContact CE1-CG 3.72Å; F50-K58 HydrophobicContact CE2-CD 4.09Å; F50-K58 HydrophobicContact CE2-CG 4.4Å; F50-K58 HydrophobicContact CG-CD 4.42Å; F50-K58 HydrophobicContact CZ-CB 4.14Å; F50-K58 HydrophobicContact CZ-CD 3.86Å; F50-K58 HydrophobicContact CZ-CG 3.7Å; F50-K58 WeakPolarHBondContact O-CD 3.18Å; F50-K58 PolarHBondContact O-NZ 2.85Å |
| 51 | L | 94.7 | Very high | 93.4 | Very high | 37 Ų | 37 | 90.9 Ų | 90.9 | 19% | 0.194 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.2 | -179.3 | -66.3 | 171.5 | 0 | 0 | 0 | 114.5 | W47 N49 D53 G54 K58 K59 F62 | W47-L51 WeakPolarHBondContact O-CB 3.5Å; W47-L51 VanDerWaalsContact O-CG 3.22Å; W47-L51 WeakPolarHBondContact O-CG 3.47Å; W47-L51 PolarHBondContact O-N 3.49Å; N49-L51 VanDerWaalsContact C-N 3.3Å; N49-L51 PolarHBondContact O-N 2.82Å; L51-D53 VanDerWaalsContact C-N 3.25Å; L51-D53 PolarHBondContact O-N 3.22Å; L51-G54 PolarHBondContact O-N 2.89Å; L51-K58 HydrophobicContact CD2-CB 4Å; L51-K59 HydrophobicContact CD2-CG 4.35Å; L51-F62 HydrophobicContact CD1-CB 4.02Å; L51-F62 HydrophobicContact CD1-CD1 3.6Å; L51-F62 HydrophobicContact CD1-CD2 4.06Å; L51-F62 HydrophobicContact CD1-CE1 3.94Å; L51-F62 HydrophobicContact CD1-CE2 4.37Å; L51-F62 HydrophobicContact CD1-CG 3.64Å; L51-F62 HydrophobicContact CD1-CZ 4.3Å; L51-F62 HydrophobicContact CD2-CB 3.95Å; L51-F62 HydrophobicContact CD2-CG 4.48Å; L51-F62 HydrophobicContact CG-CB 4.47Å |
| 52 | R | 93.8 | Very high | 93.6 | Very high | 203 Ų | 203 | 84.5 Ų | 84.5 | 77% | 0.766 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.1 | -173.5 | -171.7 | 175.2 | -178.6 | 174.3 | -0.8 | 113.3 | N48 N49 F50 G54 | N48-R52 PolarHBondContact O-N 3.24Å; N49-R52 WeakPolarHBondContact O-CB 3.32Å; N49-R52 PolarHBondContact O-N 3.33Å; F50-R52 VanDerWaalsContact C-N 3.33Å; R52-G54 PolarHBondContact O-N 3.42Å |
| 53 | D | 91.5 | Very high | 93.7 | Very high | 119 Ų | 119 | 87.3 Ų | 87.3 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -8.4 | -178.6 | -47.5 | -33.6 | 0 | 0 | 0 | 113.3 | L51 A55 K58 | L51-D53 VanDerWaalsContact C-N 3.25Å; L51-D53 PolarHBondContact O-N 3.22Å; D53-A55 PolarHBondContact O-N 3Å; D53-A55 VanDerWaalsContact O-N 3.08Å; D53-K58 IonicContact OD2-NZ 2.69Å; D53-K58 PolarHBondContact OD2-NZ 2.94Å |
| 54 | G | 88.9 | Confident | 94 | Very high | 30 Ų | 30 | 87.5 Ų | 87.5 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | trans | 70.8 | 2.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L51 R52 L56 K59 | L51-G54 PolarHBondContact O-N 2.89Å; R52-G54 PolarHBondContact O-N 3.42Å; G54-L56 PolarHBondContact O-N 2.64Å; G54-K59 WeakPolarHBondContact O-CE 3.4Å; G54-K59 PolarHBondContact O-NZ 3.14Å | ||
| 55 | A | 94.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 85.9 Ų | 85.9 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | trans | -54.2 | 133.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D53 W57 K58 K59 | D53-A55 PolarHBondContact O-N 3Å; D53-A55 VanDerWaalsContact O-N 3.08Å; A55-W57 PolarHBondContact O-N 3.01Å; A55-K58 HydrophobicContact CB-CD 4.25Å; A55-K58 HydrophobicContact CB-CG 4.07Å; A55-K58 PolarHBondContact O-N 3.21Å; A55-K59 PolarHBondContact O-N 3.35Å | ||
| 56 | L | 94.6 | Very high | 94.3 | Very high | 139 Ų | 139 | 91.1 Ų | 91.1 | 73% | 0.728 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | -172.8 | -66.4 | 176.6 | 0 | 0 | 0 | 112.8 | G54 K58 K59 V60 | G54-L56 PolarHBondContact O-N 2.64Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.2Å; L56-K59 WeakPolarHBondContact O-CB 3.24Å; L56-K59 PolarHBondContact O-N 3.03Å; L56-K59 VanDerWaalsContact O-N 3.16Å; L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.36Å |
| 57 | W | 95.1 | Very high | 94.5 | Very high | 154 Ų | 154 | 88.4 Ų | 88.4 | 58% | 0.583 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 179.6 | 71.7 | -92 | 0 | 0 | 0 | 112.2 | F50 A55 K59 V60 I61 | F50-W57 HydrophobicContact CE2-CH2 4.37Å; F50-W57 AromaticContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CH2 3.95Å; F50-W57 HydrophobicContact CZ-CZ3 4.04Å; A55-W57 PolarHBondContact O-N 3.01Å; W57-K59 VanDerWaalsContact C-N 3.34Å; W57-K59 PolarHBondContact O-N 3.08Å; W57-V60 PolarHBondContact O-N 3.35Å; W57-I61 HydrophobicContact CE3-CD1 3.45Å; W57-I61 VanDerWaalsContact CE3-CD1 3.45Å; W57-I61 HydrophobicContact CE3-CG1 4.46Å; W57-I61 HydrophobicContact CZ3-CD1 3.45Å; W57-I61 VanDerWaalsContact CZ3-CD1 3.45Å; W57-I61 WeakPolarHBondContact O-CG1 3.36Å; W57-I61 PolarHBondContact O-N 3.03Å; W57-I61 VanDerWaalsContact O-N 3.07Å |
| 58 | K | 94.3 | Very high | 94.6 | Very high | 27 Ų | 27 | 90.2 Ų | 90.2 | 12% | 0.117 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 176.1 | -61.3 | -169.4 | -179.9 | -179.4 | 0 | 111.6 | F50 L51 D53 A55 L56 V60 I61 F62 | F50-K58 HydrophobicContact CD1-CB 4.19Å; F50-K58 HydrophobicContact CD1-CD 4.19Å; F50-K58 HydrophobicContact CD1-CG 4.42Å; F50-K58 HydrophobicContact CD2-CD 4.37Å; F50-K58 HydrophobicContact CE1-CB 3.62Å; F50-K58 HydrophobicContact CE1-CD 3.92Å; F50-K58 HydrophobicContact CE1-CG 3.72Å; F50-K58 HydrophobicContact CE2-CD 4.09Å; F50-K58 HydrophobicContact CE2-CG 4.4Å; F50-K58 HydrophobicContact CG-CD 4.42Å; F50-K58 HydrophobicContact CZ-CB 4.14Å; F50-K58 HydrophobicContact CZ-CD 3.86Å; F50-K58 HydrophobicContact CZ-CG 3.7Å; F50-K58 WeakPolarHBondContact O-CD 3.18Å; F50-K58 PolarHBondContact O-NZ 2.85Å; L51-K58 HydrophobicContact CD2-CB 4Å; D53-K58 IonicContact OD2-NZ 2.69Å; D53-K58 PolarHBondContact OD2-NZ 2.94Å; A55-K58 HydrophobicContact CB-CD 4.25Å; A55-K58 HydrophobicContact CB-CG 4.07Å; A55-K58 PolarHBondContact O-N 3.21Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 3.2Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-I61 PolarHBondContact O-N 2.95Å; K58-F62 PolarHBondContact O-N 3.28Å |
| 59 | K | 94.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 89.7 Ų | 89.7 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 174.9 | -67.3 | 178.6 | -179.9 | 171.4 | 0 | 111.9 | L51 G54 A55 L56 W57 F62 K63 | L51-K59 HydrophobicContact CD2-CG 4.35Å; G54-K59 WeakPolarHBondContact O-CE 3.4Å; G54-K59 PolarHBondContact O-NZ 3.14Å; A55-K59 PolarHBondContact O-N 3.35Å; L56-K59 WeakPolarHBondContact O-CB 3.24Å; L56-K59 PolarHBondContact O-N 3.03Å; L56-K59 VanDerWaalsContact O-N 3.16Å; W57-K59 VanDerWaalsContact C-N 3.34Å; W57-K59 PolarHBondContact O-N 3.08Å; K59-F62 PolarHBondContact O-N 3.47Å; K59-K63 WeakPolarHBondContact O-CB 3.34Å; K59-K63 PolarHBondContact O-N 3.19Å |
| 60 | V | 96.1 | Very high | 94.9 | Very high | 91 Ų | 91 | 90.7 Ų | 90.7 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.6 | -47.8 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L56 W57 K58 F62 K63 T64 | L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.36Å; W57-V60 PolarHBondContact O-N 3.35Å; K58-V60 VanDerWaalsContact C-N 3.35Å; V60-F62 VanDerWaalsContact C-N 3.35Å; V60-F62 PolarHBondContact O-N 2.88Å; V60-K63 WeakPolarHBondContact O-CB 3.22Å; V60-K63 PolarHBondContact O-N 2.99Å; V60-T64 WeakPolarHBondContact O-CG2 3.42Å; V60-T64 PolarHBondContact O-N 2.99Å; V60-T64 PolarHBondContact O-OG1 2.85Å |
| 61 | I | 95.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 91.3 Ų | 91.3 | 35% | 0.354 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.9 | -67.9 | 174.3 | 0 | 0 | 0 | 111.5 | W47 W57 K58 K63 T64 Y65 | W47-I61 HydrophobicContact CH2-CG2 4.23Å; W47-I61 HydrophobicContact CZ3-CG2 4.37Å; W57-I61 HydrophobicContact CE3-CD1 3.45Å; W57-I61 VanDerWaalsContact CE3-CD1 3.45Å; W57-I61 HydrophobicContact CE3-CG1 4.46Å; W57-I61 HydrophobicContact CZ3-CD1 3.45Å; W57-I61 VanDerWaalsContact CZ3-CD1 3.45Å; W57-I61 WeakPolarHBondContact O-CG1 3.36Å; W57-I61 PolarHBondContact O-N 3.03Å; W57-I61 VanDerWaalsContact O-N 3.07Å; K58-I61 PolarHBondContact O-N 2.95Å; I61-K63 VanDerWaalsContact C-N 3.3Å; I61-K63 PolarHBondContact O-N 3.41Å; I61-T64 WeakPolarHBondContact CA-OG1 3.23Å; I61-T64 PolarHBondContact O-N 3.23Å; I61-T64 PolarHBondContact O-OG1 3.46Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.37Å |
| 62 | F | 94.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 92.6 Ų | 92.6 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 178.5 | -178.8 | -116 | 0 | 0 | 0 | 112.2 | W47 L51 K58 K59 V60 Y65 R66 | W47-F62 HydrophobicContact CB-CD2 4.22Å; W47-F62 HydrophobicContact CB-CE2 3.8Å; W47-F62 AromaticContact CD2-CD2 3.59Å; W47-F62 HydrophobicContact CD2-CD2 3.59Å; W47-F62 AromaticContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CD2-CE2 3.88Å; W47-F62 HydrophobicContact CE3-CB 4.39Å; W47-F62 AromaticContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CD2 3.56Å; W47-F62 HydrophobicContact CE3-CE2 4.27Å; W47-F62 HydrophobicContact CE3-CG 4.4Å; W47-F62 AromaticContact CG-CD2 3.9Å; W47-F62 HydrophobicContact CG-CD2 3.9Å; W47-F62 AromaticContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CG-CE2 3.67Å; W47-F62 HydrophobicContact CZ3-CB 4.38Å; W47-F62 HydrophobicContact CZ3-CD2 4.13Å; L51-F62 HydrophobicContact CD1-CB 4.02Å; L51-F62 HydrophobicContact CD1-CD1 3.6Å; L51-F62 HydrophobicContact CD1-CD2 4.06Å; L51-F62 HydrophobicContact CD1-CE1 3.94Å; L51-F62 HydrophobicContact CD1-CE2 4.37Å; L51-F62 HydrophobicContact CD1-CG 3.64Å; L51-F62 HydrophobicContact CD1-CZ 4.3Å; L51-F62 HydrophobicContact CD2-CB 3.95Å; L51-F62 HydrophobicContact CD2-CG 4.48Å; L51-F62 HydrophobicContact CG-CB 4.47Å; K58-F62 PolarHBondContact O-N 3.28Å; K59-F62 PolarHBondContact O-N 3.47Å; V60-F62 VanDerWaalsContact C-N 3.35Å; V60-F62 PolarHBondContact O-N 2.88Å; F62-Y65 HydrophobicContact CD2-CD1 4.26Å; F62-Y65 HydrophobicContact CE2-CD1 4.4Å; F62-Y65 PolarHBondContact O-N 3.03Å; F62-R66 HydrophobicContact CD2-CG 4.46Å; F62-R66 HydrophobicContact CE1-CG 4.24Å; F62-R66 HydrophobicContact CE2-CG 4.11Å; F62-R66 HydrophobicContact CZ-CG 4.02Å; F62-R66 WeakPolarHBondContact O-CG 3.36Å; F62-R66 PolarHBondContact O-N 3.22Å |
| 63 | K | 95.6 | Very high | 95.4 | Very high | 159 Ų | 159 | 85.5 Ų | 85.5 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 175.8 | -174.2 | 179 | 179.2 | -177.7 | 0 | 111.4 | K59 V60 I61 R66 A67 | K59-K63 WeakPolarHBondContact O-CB 3.34Å; K59-K63 PolarHBondContact O-N 3.19Å; V60-K63 WeakPolarHBondContact O-CB 3.22Å; V60-K63 PolarHBondContact O-N 2.99Å; I61-K63 VanDerWaalsContact C-N 3.3Å; I61-K63 PolarHBondContact O-N 3.41Å; K63-R66 PolarHBondContact O-N 3.36Å; K63-A67 WeakPolarHBondContact O-CB 3.34Å; K63-A67 PolarHBondContact O-N 3.22Å |
| 64 | T | 96.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 85.5 Ų | 85.5 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 177.7 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | V60 I61 A67 S68 | V60-T64 WeakPolarHBondContact O-CG2 3.42Å; V60-T64 PolarHBondContact O-N 2.99Å; V60-T64 PolarHBondContact O-OG1 2.85Å; I61-T64 WeakPolarHBondContact CA-OG1 3.23Å; I61-T64 PolarHBondContact O-N 3.23Å; I61-T64 PolarHBondContact O-OG1 3.46Å; T64-A67 PolarHBondContact O-N 3.46Å; T64-S68 WeakPolarHBondContact O-CB 3.45Å; T64-S68 PolarHBondContact O-N 3.32Å |
| 65 | Y | 95.6 | Very high | 96.1 | Very high | 71 Ų | 71 | 87.6 Ų | 87.6 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 172.7 | 168.4 | -103.9 | 0 | 0 | 0 | 112.2 | L43 W47 I61 F62 A67 S68 L69 | L43-Y65 WeakPolarHBondContact CD2-OH 3.47Å; W47-Y65 AromaticContact CE2-CD1 3.78Å; W47-Y65 AromaticContact CE2-CE1 3.76Å; W47-Y65 HydrophobicContact CH2-CD1 4.48Å; W47-Y65 HydrophobicContact CH2-CG 4.27Å; W47-Y65 AromaticContact CZ2-CD1 3.68Å; W47-Y65 HydrophobicContact CZ2-CD1 3.68Å; W47-Y65 AromaticContact CZ2-CD2 3.95Å; W47-Y65 HydrophobicContact CZ2-CD2 3.95Å; W47-Y65 AromaticContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE1 3.98Å; W47-Y65 HydrophobicContact CZ2-CE2 4.23Å; W47-Y65 AromaticContact CZ2-CG 3.65Å; W47-Y65 HydrophobicContact CZ2-CG 3.65Å; W47-Y65 AromaticContact NE1-CD1 3.83Å; W47-Y65 AromaticContact NE1-CE1 3.31Å; W47-Y65 VanDerWaalsContact NE1-CE1 3.31Å; W47-Y65 AromaticContact NE1-CZ 3.66Å; I61-Y65 WeakPolarHBondContact O-CB 3.48Å; I61-Y65 PolarHBondContact O-N 3.37Å; F62-Y65 HydrophobicContact CD2-CD1 4.26Å; F62-Y65 HydrophobicContact CE2-CD1 4.4Å; F62-Y65 PolarHBondContact O-N 3.03Å; Y65-A67 PolarHBondContact O-N 2.89Å; Y65-S68 WeakPolarHBondContact O-CB 3.48Å; Y65-S68 PolarHBondContact O-N 3.41Å; Y65-L69 HydrophobicContact CD1-CD1 4.29Å; Y65-L69 HydrophobicContact CE1-CD1 3.56Å; Y65-L69 HydrophobicContact CE1-CG 4.37Å; Y65-L69 HydrophobicContact CE2-CD1 4.06Å; Y65-L69 HydrophobicContact CE2-CD2 4.41Å; Y65-L69 HydrophobicContact CE2-CG 4.13Å; Y65-L69 VanDerWaalsContact CZ-CD1 3.43Å; Y65-L69 PolarHBondContact O-N 2.93Å; Y65-L69 WeakPolarHBondContact OH-CD1 3.5Å |
| 66 | R | 95.3 | Very high | 96.3 | Very high | 159 Ų | 159 | 89.3 Ų | 89.3 | 60% | 0.6 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 178.2 | -73.8 | -167.8 | 71.3 | 160.3 | 4.3 | 112.5 | F62 K63 S68 L69 F70 | F62-R66 HydrophobicContact CD2-CG 4.46Å; F62-R66 HydrophobicContact CE1-CG 4.24Å; F62-R66 HydrophobicContact CE2-CG 4.11Å; F62-R66 HydrophobicContact CZ-CG 4.02Å; F62-R66 WeakPolarHBondContact O-CG 3.36Å; F62-R66 PolarHBondContact O-N 3.22Å; K63-R66 PolarHBondContact O-N 3.36Å; R66-S68 VanDerWaalsContact C-N 3.32Å; R66-L69 PolarHBondContact O-N 3Å; R66-F70 PolarHBondContact O-N 3.06Å |
| 67 | A | 97.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 86.2 Ų | 86.2 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | K63 T64 Y65 F70 T71 | K63-A67 WeakPolarHBondContact O-CB 3.34Å; K63-A67 PolarHBondContact O-N 3.22Å; T64-A67 PolarHBondContact O-N 3.46Å; Y65-A67 PolarHBondContact O-N 2.89Å; A67-F70 WeakPolarHBondContact O-CB 3.4Å; A67-F70 PolarHBondContact O-N 2.94Å; A67-T71 PolarHBondContact O-N 2.95Å; A67-T71 PolarHBondContact O-OG1 2.91Å |
| 68 | S | 97.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 81.3 Ų | 81.3 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 175.6 | -179 | 0 | 0 | 0 | 0 | 112 | T64 Y65 R66 F70 T71 V72 | T64-S68 WeakPolarHBondContact O-CB 3.45Å; T64-S68 PolarHBondContact O-N 3.32Å; Y65-S68 WeakPolarHBondContact O-CB 3.48Å; Y65-S68 PolarHBondContact O-N 3.41Å; R66-S68 VanDerWaalsContact C-N 3.32Å; S68-F70 VanDerWaalsContact C-N 3.29Å; S68-F70 PolarHBondContact O-N 3.36Å; S68-T71 PolarHBondContact O-N 3.45Å; S68-V72 WeakPolarHBondContact O-CG2 3.28Å; S68-V72 PolarHBondContact O-N 3.04Å |
| 69 | L | 96.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 85.1 Ų | 85.1 | 45% | 0.445 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 174.9 | -73.2 | -179.4 | 0 | 0 | 0 | 112.4 | Y65 R66 S73 | Y65-L69 HydrophobicContact CD1-CD1 4.29Å; Y65-L69 HydrophobicContact CE1-CD1 3.56Å; Y65-L69 HydrophobicContact CE1-CG 4.37Å; Y65-L69 HydrophobicContact CE2-CD1 4.06Å; Y65-L69 HydrophobicContact CE2-CD2 4.41Å; Y65-L69 HydrophobicContact CE2-CG 4.13Å; Y65-L69 VanDerWaalsContact CZ-CD1 3.43Å; Y65-L69 PolarHBondContact O-N 2.93Å; Y65-L69 WeakPolarHBondContact OH-CD1 3.5Å; R66-L69 PolarHBondContact O-N 3Å; L69-S73 WeakPolarHBondContact O-CB 3.18Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-OG 3.12Å |
| 70 | F | 97 | Very high | 96.9 | Very high | 117 Ų | 117 | 88.6 Ų | 88.6 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 176.4 | 179.2 | -95.5 | 0 | 0 | 0 | 111.1 | R66 A67 S68 V72 S73 H74 | R66-F70 PolarHBondContact O-N 3.06Å; A67-F70 WeakPolarHBondContact O-CB 3.4Å; A67-F70 PolarHBondContact O-N 2.94Å; S68-F70 VanDerWaalsContact C-N 3.29Å; S68-F70 PolarHBondContact O-N 3.36Å; F70-V72 PolarHBondContact O-N 3.09Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 PolarHBondContact O-OG 3.07Å; F70-H74 HydrophobicContact CD2-CB 4.23Å; F70-H74 AromaticContact CD2-CE1 3.89Å; F70-H74 AromaticContact CD2-CG 3.75Å; F70-H74 AromaticContact CD2-ND1 3.48Å; F70-H74 WeakPolarHBondContact CD2-ND1 3.42Å; F70-H74 HydrophobicContact CE1-CB 4.29Å; F70-H74 HydrophobicContact CE2-CB 3.88Å; F70-H74 AromaticContact CE2-CD2 3.7Å; F70-H74 AromaticContact CE2-CG 3.48Å; F70-H74 VanDerWaalsContact CE2-CG 3.48Å; F70-H74 AromaticContact CE2-ND1 3.7Å; F70-H74 HydrophobicContact CZ-CB 3.92Å; F70-H74 WeakPolarHBondContact O-CB 3.35Å; F70-H74 PolarHBondContact O-N 3.16Å |
| 71 | T | 98 | Very high | 97 | Very high | 65 Ų | 65 | 91.2 Ų | 91.2 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | A67 S68 V75 I76 | A67-T71 PolarHBondContact O-N 2.95Å; A67-T71 PolarHBondContact O-OG1 2.91Å; S68-T71 PolarHBondContact O-N 3.45Å; T71-V75 HydrophobicContact CG2-CB 4.41Å; T71-V75 WeakPolarHBondContact O-CA 3.39Å; T71-V75 WeakPolarHBondContact O-CB 3.47Å; T71-V75 PolarHBondContact O-N 2.92Å; T71-I76 HydrophobicContact CG2-CD1 4.39Å; T71-I76 HydrophobicContact CG2-CG1 4.43Å; T71-I76 PolarHBondContact O-N 3.42Å |
| 72 | V | 98.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 93 Ų | 93 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | I | π-helix | trans | -62.9 | -50.3 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | S68 F70 I76 I77 | S68-V72 WeakPolarHBondContact O-CG2 3.28Å; S68-V72 PolarHBondContact O-N 3.04Å; F70-V72 PolarHBondContact O-N 3.09Å; V72-I76 HydrophobicContact CG2-CD1 4.22Å; V72-I76 PolarHBondContact O-N 3.19Å; V72-I77 HydrophobicContact CG1-CD1 4.16Å; V72-I77 HydrophobicContact CG1-CG1 4.46Å; V72-I77 WeakPolarHBondContact O-CB 3.34Å; V72-I77 WeakPolarHBondContact O-CG1 3.45Å; V72-I77 PolarHBondContact O-N 3.25Å |
| 73 | S | 97.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 96.3 Ų | 96.3 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -73.5 | -39.4 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | L69 F70 P78 | L69-S73 WeakPolarHBondContact O-CB 3.18Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-OG 3.12Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-S73 PolarHBondContact O-OG 3.07Å; S73-P78 VanDerWaalsContact O-CD 3.32Å; S73-P78 WeakPolarHBondContact O-CD 3.38Å |
| 74 | H | 96.5 | Very high | 97.4 | Very high | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.546 | 47% | 0.474 | S | S | . | . | I | π-helix | trans | -102.7 | -14.6 | -172 | -65.9 | 71.5 | 0 | 0 | 0 | 113.5 | F70 | F70-H74 HydrophobicContact CD2-CB 4.23Å; F70-H74 AromaticContact CD2-CE1 3.89Å; F70-H74 AromaticContact CD2-CG 3.75Å; F70-H74 AromaticContact CD2-ND1 3.48Å; F70-H74 WeakPolarHBondContact CD2-ND1 3.42Å; F70-H74 HydrophobicContact CE1-CB 4.29Å; F70-H74 HydrophobicContact CE2-CB 3.88Å; F70-H74 AromaticContact CE2-CD2 3.7Å; F70-H74 AromaticContact CE2-CG 3.48Å; F70-H74 VanDerWaalsContact CE2-CG 3.48Å; F70-H74 AromaticContact CE2-ND1 3.7Å; F70-H74 HydrophobicContact CZ-CB 3.92Å; F70-H74 WeakPolarHBondContact O-CB 3.35Å; F70-H74 PolarHBondContact O-N 3.16Å |
| 75 | V | 97 | Very high | 97.5 | Very high | 74 Ų | 74 | 97.1 Ų | 97.1 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | I | π-helix | trans | -117 | -62.5 | -179.2 | -172 | 0 | 0 | 0 | 0 | 110.9 | T71 L79 | T71-V75 HydrophobicContact CG2-CB 4.41Å; T71-V75 WeakPolarHBondContact O-CA 3.39Å; T71-V75 WeakPolarHBondContact O-CB 3.47Å; T71-V75 PolarHBondContact O-N 2.92Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 PolarHBondContact O-N 2.87Å |
| 76 | I | 98.4 | Very high | 97.6 | Very high | 67 Ų | 67 | 96.4 Ų | 96.4 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -66.8 | -48.9 | -170.6 | -60.2 | 177.2 | 0 | 0 | 0 | 111.1 | T71 V72 L79 W80 | T71-I76 HydrophobicContact CG2-CD1 4.39Å; T71-I76 HydrophobicContact CG2-CG1 4.43Å; T71-I76 PolarHBondContact O-N 3.42Å; V72-I76 HydrophobicContact CG2-CD1 4.22Å; V72-I76 PolarHBondContact O-N 3.19Å; I76-L79 PolarHBondContact O-N 3.07Å; I76-W80 HydrophobicContact CG2-CD2 4.43Å; I76-W80 PolarHBondContact O-N 3.06Å |
| 77 | I | 97.9 | Very high | 97.6 | Very high | 74 Ų | 74 | 94.1 Ų | 94.1 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -52.8 | -178.6 | -72.9 | 171.6 | 0 | 0 | 0 | 111.1 | V72 L79 W80 F81 | V72-I77 HydrophobicContact CG1-CD1 4.16Å; V72-I77 HydrophobicContact CG1-CG1 4.46Å; V72-I77 WeakPolarHBondContact O-CB 3.34Å; V72-I77 WeakPolarHBondContact O-CG1 3.45Å; V72-I77 PolarHBondContact O-N 3.25Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.37Å; I77-W80 PolarHBondContact O-N 3.41Å; I77-F81 HydrophobicContact CG2-CD2 3.68Å; I77-F81 HydrophobicContact CG2-CE2 3.47Å; I77-F81 VanDerWaalsContact CG2-CE2 3.47Å; I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I77-F81 PolarHBondContact O-N 2.98Å |
| 78 | P | 98.3 | Very high | 97.6 | Very high | 50 Ų | 50 | 96.2 Ų | 96.2 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 176.1 | -27.1 | 37 | 0 | 0 | 0 | 113.3 | S73 W80 F81 I82 | S73-P78 VanDerWaalsContact O-CD 3.32Å; S73-P78 WeakPolarHBondContact O-CD 3.38Å; P78-W80 VanDerWaalsContact C-N 3.33Å; P78-W80 PolarHBondContact O-N 3.3Å; P78-F81 PolarHBondContact O-N 3.47Å; P78-I82 VanDerWaalsContact O-CG1 3.3Å; P78-I82 WeakPolarHBondContact O-CG1 3.49Å; P78-I82 PolarHBondContact O-N 3.39Å |
| 79 | L | 98.3 | Very high | 97.5 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.4 | -45.1 | 177.1 | 179 | 69.8 | 0 | 0 | 0 | 111.4 | V75 I76 I77 I82 H83 | V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 PolarHBondContact O-N 2.87Å; I76-L79 PolarHBondContact O-N 3.07Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.37Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-H83 VanDerWaalsContact O-CB 3.25Å; L79-H83 WeakPolarHBondContact O-CB 3.37Å; L79-H83 PolarHBondContact O-N 2.9Å |
| 80 | W | 98.3 | Very high | 97.5 | Very high | 185 Ų | 185 | 94.8 Ų | 94.8 | 70% | 0.701 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 175.9 | -85.2 | 5.4 | 0 | 0 | 0 | 112.5 | I76 I77 P78 H83 Y84 | I76-W80 HydrophobicContact CG2-CD2 4.43Å; I76-W80 PolarHBondContact O-N 3.06Å; I77-W80 PolarHBondContact O-N 3.41Å; P78-W80 VanDerWaalsContact C-N 3.33Å; P78-W80 PolarHBondContact O-N 3.3Å; W80-H83 PolarHBondContact O-N 3.43Å; W80-Y84 VanDerWaalsContact O-CB 3.3Å; W80-Y84 WeakPolarHBondContact O-CB 3.49Å; W80-Y84 PolarHBondContact O-N 2.85Å |
| 81 | F | 98.1 | Very high | 97.4 | Very high | 147 Ų | 147 | 92.1 Ų | 92.1 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 176.5 | -81.4 | -65.4 | 0 | 0 | 0 | 112.3 | I77 P78 Y84 Y85 | I77-F81 HydrophobicContact CG2-CD2 3.68Å; I77-F81 HydrophobicContact CG2-CE2 3.47Å; I77-F81 VanDerWaalsContact CG2-CE2 3.47Å; I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I77-F81 PolarHBondContact O-N 2.98Å; P78-F81 PolarHBondContact O-N 3.47Å; F81-Y84 PolarHBondContact O-N 3.25Å; F81-Y85 WeakPolarHBondContact O-CB 3.36Å; F81-Y85 PolarHBondContact O-N 3.44Å |
| 82 | I | 98.1 | Very high | 97.2 | Very high | 107 Ų | 107 | 96.4 Ų | 96.4 | 55% | 0.549 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 177.4 | -67.6 | 166.1 | 0 | 0 | 0 | 110 | P78 L79 Y84 Y85 V86 | P78-I82 VanDerWaalsContact O-CG1 3.3Å; P78-I82 WeakPolarHBondContact O-CG1 3.49Å; P78-I82 PolarHBondContact O-N 3.39Å; L79-I82 PolarHBondContact O-N 3.43Å; I82-Y84 VanDerWaalsContact C-N 3.33Å; I82-Y84 PolarHBondContact O-N 3.27Å; I82-Y85 PolarHBondContact O-N 2.91Å; I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.4Å; I82-V86 PolarHBondContact O-N 2.88Å |
| 83 | H | 97.9 | Very high | 97 | Very high | 116 Ų | 116 | 99.9 Ų | 99.9 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 178.6 | 179.7 | 72.1 | 0 | 0 | 0 | 111.6 | L79 W80 Y85 V86 K87 | L79-H83 VanDerWaalsContact O-CB 3.25Å; L79-H83 WeakPolarHBondContact O-CB 3.37Å; L79-H83 PolarHBondContact O-N 2.9Å; W80-H83 PolarHBondContact O-N 3.43Å; H83-Y85 PolarHBondContact O-N 3.34Å; H83-V86 PolarHBondContact O-N 3.07Å; H83-K87 VanDerWaalsContact O-CB 3.26Å; H83-K87 WeakPolarHBondContact O-CB 3.45Å; H83-K87 PolarHBondContact O-N 3.45Å |
| 84 | Y | 98.3 | Very high | 96.9 | Very high | 130 Ų | 130 | 102.7 Ų | 102.7 | 51% | 0.51 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.6 | 178.6 | -92.8 | 0 | 0 | 0 | 111.9 | W80 F81 I82 K87 Y88 | W80-Y84 VanDerWaalsContact O-CB 3.3Å; W80-Y84 WeakPolarHBondContact O-CB 3.49Å; W80-Y84 PolarHBondContact O-N 2.85Å; F81-Y84 PolarHBondContact O-N 3.25Å; I82-Y84 VanDerWaalsContact C-N 3.33Å; I82-Y84 PolarHBondContact O-N 3.27Å; Y84-K87 PolarHBondContact O-N 2.98Å; Y84-Y88 AromaticContact CD2-CD2 3.45Å; Y84-Y88 HydrophobicContact CD2-CD2 3.45Å; Y84-Y88 VanDerWaalsContact CD2-CD2 3.45Å; Y84-Y88 AromaticContact CD2-CE2 3.67Å; Y84-Y88 HydrophobicContact CD2-CE2 3.67Å; Y84-Y88 AromaticContact CE2-CD2 3.34Å; Y84-Y88 HydrophobicContact CE2-CD2 3.34Å; Y84-Y88 AromaticContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CG 4.25Å; Y84-Y88 HydrophobicContact CG-CD2 4.1Å; Y84-Y88 AromaticContact CZ-CD2 3.91Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.42Å; Y84-Y88 PolarHBondContact O-N 2.83Å |
| 85 | Y | 97.6 | Very high | 96.7 | Very high | 131 Ų | 131 | 107.1 Ų | 107.1 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 177.8 | 179.9 | -100.7 | 0 | 0 | 0 | 111.7 | F81 I82 H83 K87 Y88 H89 V90 | F81-Y85 WeakPolarHBondContact O-CB 3.36Å; F81-Y85 PolarHBondContact O-N 3.44Å; I82-Y85 PolarHBondContact O-N 2.91Å; H83-Y85 PolarHBondContact O-N 3.34Å; Y85-K87 PolarHBondContact O-N 3.26Å; Y85-Y88 PolarHBondContact O-N 3.41Å; Y85-H89 HydrophobicContact CD2-CB 3.9Å; Y85-H89 AromaticContact CD2-CG 3.84Å; Y85-H89 AromaticContact CD2-ND1 3.9Å; Y85-H89 HydrophobicContact CE2-CB 3.78Å; Y85-H89 AromaticContact CE2-CG 3.95Å; Y85-H89 HydrophobicContact CG-CB 4.47Å; Y85-H89 WeakPolarHBondContact O-CA 3.35Å; Y85-H89 VanDerWaalsContact O-CB 3.26Å; Y85-H89 WeakPolarHBondContact O-CB 3.33Å; Y85-H89 PolarHBondContact O-N 2.94Å; Y85-V90 HydrophobicContact CD1-CG2 3.72Å; Y85-V90 HydrophobicContact CE1-CG2 3.39Å; Y85-V90 PolarHBondContact O-N 3.44Å |
| 86 | V | 97.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 106 Ų | 106 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | I | π-helix | trans | -58.8 | -48.1 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | I82 H83 V90 A91 I97 | I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.4Å; I82-V86 PolarHBondContact O-N 2.88Å; H83-V86 PolarHBondContact O-N 3.07Å; V86-V90 PolarHBondContact O-N 3.47Å; V86-A91 WeakPolarHBondContact O-CB 3.5Å; V86-A91 PolarHBondContact O-N 3.28Å; V86-I97 HydrophobicContact CG1-CD1 3.69Å |
| 87 | K | 96.9 | Very high | 96.1 | Very high | 110 Ų | 110 | 107.1 Ų | 107.1 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | I | π-helix | trans | -62.5 | -45.3 | -177.8 | -176.4 | 175.2 | -179.5 | -176.5 | 0 | 113.2 | H83 Y84 Y85 | H83-K87 VanDerWaalsContact O-CB 3.26Å; H83-K87 WeakPolarHBondContact O-CB 3.45Å; H83-K87 PolarHBondContact O-N 3.45Å; Y84-K87 PolarHBondContact O-N 2.98Å; Y85-K87 PolarHBondContact O-N 3.26Å |
| 88 | Y | 97 | Very high | 95.9 | Very high | 96 Ų | 96 | 109 Ų | 109 | 38% | 0.376 | 53% | 0.526 | S | S | . | . | I | π-helix | trans | -104.2 | -14 | -169.6 | -68.3 | -72.5 | 0 | 0 | 0 | 115.3 | Y84 Y85 K92 | Y84-Y88 AromaticContact CD2-CD2 3.45Å; Y84-Y88 HydrophobicContact CD2-CD2 3.45Å; Y84-Y88 VanDerWaalsContact CD2-CD2 3.45Å; Y84-Y88 AromaticContact CD2-CE2 3.67Å; Y84-Y88 HydrophobicContact CD2-CE2 3.67Å; Y84-Y88 AromaticContact CE2-CD2 3.34Å; Y84-Y88 HydrophobicContact CE2-CD2 3.34Å; Y84-Y88 AromaticContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CE2 3.59Å; Y84-Y88 HydrophobicContact CE2-CG 4.25Å; Y84-Y88 HydrophobicContact CG-CD2 4.1Å; Y84-Y88 AromaticContact CZ-CD2 3.91Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.42Å; Y84-Y88 PolarHBondContact O-N 2.83Å; Y85-Y88 PolarHBondContact O-N 3.41Å; Y88-K92 WeakPolarHBondContact O-CD 3.47Å; Y88-K92 VanDerWaalsContact O-CE 3.28Å; Y88-K92 WeakPolarHBondContact O-CE 3.34Å; Y88-K92 WeakPolarHBondContact O-CG 3.45Å |
| 89 | H | 95 | Very high | 95.7 | Very high | 90 Ų | 90 | 113.2 Ų | 113.2 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | I | π-helix | trans | -117.7 | -48.3 | -178.6 | -60.4 | 75.7 | 0 | 0 | 0 | 112.2 | Y85 | Y85-H89 HydrophobicContact CD2-CB 3.9Å; Y85-H89 AromaticContact CD2-CG 3.84Å; Y85-H89 AromaticContact CD2-ND1 3.9Å; Y85-H89 HydrophobicContact CE2-CB 3.78Å; Y85-H89 AromaticContact CE2-CG 3.95Å; Y85-H89 HydrophobicContact CG-CB 4.47Å; Y85-H89 WeakPolarHBondContact O-CA 3.35Å; Y85-H89 VanDerWaalsContact O-CB 3.26Å; Y85-H89 WeakPolarHBondContact O-CB 3.33Å; Y85-H89 PolarHBondContact O-N 2.94Å |
| 90 | V | 95.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 113.9 Ų | 113.9 | 19% | 0.188 | 56% | 0.555 | C | S | . | * | I | π-helix | trans | -77.2 | -53.2 | -176.9 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | Y85 V86 K92 K93 A96 I97 | Y85-V90 HydrophobicContact CD1-CG2 3.72Å; Y85-V90 HydrophobicContact CE1-CG2 3.39Å; Y85-V90 PolarHBondContact O-N 3.44Å; V86-V90 PolarHBondContact O-N 3.47Å; V90-K92 PolarHBondContact O-N 3.16Å; V90-K92 VanDerWaalsContact O-N 3.11Å; V90-K93 PolarHBondContact O-N 3.48Å; V90-A96 HydrophobicContact CG1-CB 3.75Å; V90-A96 VanDerWaalsContact O-CB 3.31Å; V90-A96 WeakPolarHBondContact O-CB 3.47Å; V90-I97 HydrophobicContact CB-CD1 4.29Å; V90-I97 HydrophobicContact CB-CG1 4.36Å; V90-I97 HydrophobicContact CG1-CD1 4.01Å; V90-I97 HydrophobicContact CG1-CG1 3.56Å |
| 91 | A | 94.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 114.4 Ų | 114.4 | 51% | 0.512 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | -20.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | V86 K93 I97 | V86-A91 WeakPolarHBondContact O-CB 3.5Å; V86-A91 PolarHBondContact O-N 3.28Å; A91-K93 VanDerWaalsContact C-N 3.29Å; A91-I97 HydrophobicContact CB-CD1 3.88Å |
| 92 | K | 94.6 | Very high | 95 | Very high | 155 Ų | 155 | 112.6 Ų | 112.6 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -18.4 | 174 | -70.2 | -165.3 | -173.1 | 173.3 | 0 | 113.4 | Y88 V90 | Y88-K92 WeakPolarHBondContact O-CD 3.47Å; Y88-K92 VanDerWaalsContact O-CE 3.28Å; Y88-K92 WeakPolarHBondContact O-CE 3.34Å; Y88-K92 WeakPolarHBondContact O-CG 3.45Å; V90-K92 PolarHBondContact O-N 3.16Å; V90-K92 VanDerWaalsContact O-N 3.11Å |
| 93 | K | 94.5 | Very high | 94.7 | Very high | 137 Ų | 137 | 116.2 Ų | 116.2 | 60% | 0.596 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -90.9 | 128.9 | 178.9 | -67.8 | 180 | -178.5 | -174.9 | 0 | 108.9 | V90 A91 Y95 A96 | V90-K93 PolarHBondContact O-N 3.48Å; A91-K93 VanDerWaalsContact C-N 3.29Å; K93-Y95 PolarHBondContact O-N 3.37Å; K93-A96 HydrophobicContact CB-CB 3.69Å; K93-A96 WeakPolarHBondContact O-CB 3.46Å; K93-A96 PolarHBondContact O-N 3.21Å |
| 94 | P | 94.7 | Very high | 94.4 | Very high | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 138.2 | 178.7 | 26.9 | -34.1 | 0 | 0 | 0 | 110 | A96 | P94-A96 PolarHBondContact O-N 3.37Š|
| 95 | Y | 91.9 | Very high | 94.1 | Very high | 212 Ų | 212 | 115.2 Ų | 115.2 | 83% | 0.831 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.2 | 13 | -179 | -52.6 | -71.7 | 0 | 0 | 0 | 116.3 | K93 I97 V98 | K93-Y95 PolarHBondContact O-N 3.37Å; Y95-I97 VanDerWaalsContact C-N 3.32Å; Y95-V98 HydrophobicContact CD1-CG2 4.38Å |
| 96 | A | 92.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 111.6 Ų | 111.6 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -75.7 | -24.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V90 K93 P94 | V90-A96 HydrophobicContact CG1-CB 3.75Å; V90-A96 VanDerWaalsContact O-CB 3.31Å; V90-A96 WeakPolarHBondContact O-CB 3.47Å; K93-A96 HydrophobicContact CB-CB 3.69Å; K93-A96 WeakPolarHBondContact O-CB 3.46Å; K93-A96 PolarHBondContact O-N 3.21Å; P94-A96 PolarHBondContact O-N 3.37Å |
| 97 | I | 91.6 | Very high | 93.3 | Very high | 91 Ų | 91 | 111 Ų | 111 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -123.8 | 115.3 | 168.7 | -49.3 | 179.3 | 0 | 0 | 0 | 106.3 | V86 V90 A91 Y95 | V86-I97 HydrophobicContact CG1-CD1 3.69Å; V90-I97 HydrophobicContact CB-CD1 4.29Å; V90-I97 HydrophobicContact CB-CG1 4.36Å; V90-I97 HydrophobicContact CG1-CD1 4.01Å; V90-I97 HydrophobicContact CG1-CG1 3.56Å; A91-I97 HydrophobicContact CB-CD1 3.88Å; Y95-I97 VanDerWaalsContact C-N 3.32Å |
| 98 | V | 93.9 | Very high | 93.1 | Very high | 115 Ų | 115 | 109 Ų | 109 | 70% | 0.697 | 57% | 0.57 | S | S | * | * | trans | -119 | 117.5 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | Y95 | Y95-V98 HydrophobicContact CD1-CG2 4.38Š| ||
| 99 | D | 92.7 | Very high | 92.7 | Very high | 138 Ų | 138 | 108.3 Ų | 108.3 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | trans | -108.3 | 150.6 | 177.9 | -160 | 1.3 | 0 | 0 | 0 | 110.4 | ||||
| 100 | T | 94.9 | Very high | 92.4 | Very high | 121 Ų | 121 | 106.5 Ų | 106.5 | 74% | 0.742 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.1 | 170.4 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 101 | K | 92.8 | Very high | 92.2 | Very high | 196 Ų | 196 | 113.4 Ų | 113.4 | 85% | 0.852 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.7 | 176 | -63.3 | -177.8 | -179.2 | -177.1 | 0 | 110 | ||
| 102 | P | 92.2 | Very high | 92 | Very high | 109 Ų | 109 | 119.6 Ų | 119.6 | 71% | 0.708 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 149.4 | 178.9 | 25.6 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 103 | K | 91.8 | Very high | 91.7 | Very high | 183 Ų | 183 | 116.3 Ų | 116.3 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 142.1 | 172.5 | -69.8 | 178.9 | 180 | 177.3 | 0 | 109 | F105 | K103-F105 HydrophobicContact CB-CE2 4.07Å; K103-F105 HydrophobicContact CB-CZ 4.28Å |
| 104 | I | 91.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 112.1 Ų | 112.1 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | trans | -124.1 | 129.3 | -173.7 | -69.5 | -178.2 | 0 | 0 | 0 | 107.7 | I117 | I104-I117 HydrophobicContact CB-CD1 4.32Å; I104-I117 HydrophobicContact CG2-CD1 2.82Å; I104-I117 HydrophobicContact CG2-CG1 4.31Å | ||
| 105 | F | 91.9 | Very high | 91.1 | Very high | 121 Ų | 121 | 112.5 Ų | 112.5 | 53% | 0.531 | 60% | 0.603 | S | S | . | * | trans | -116.2 | 154.9 | -179.1 | -63.4 | -78.5 | 0 | 0 | 0 | 112.9 | K103 G107 D108 | K103-F105 HydrophobicContact CB-CE2 4.07Å; K103-F105 HydrophobicContact CB-CZ 4.28Å; F105-G107 PolarHBondContact O-N 3.27Å; F105-D108 WeakPolarHBondContact CA-OD2 3.47Å; F105-D108 WeakPolarHBondContact CB-OD2 3.22Å; F105-D108 PolarHBondContact N-OD2 3.21Å; F105-D108 VanDerWaalsContact O-CB 3.29Å; F105-D108 WeakPolarHBondContact O-CB 3.33Å; F105-D108 PolarHBondContact O-N 2.97Å; F105-D108 VanDerWaalsContact O-N 3.08Å | ||
| 106 | P | 92.1 | Very high | 91 | Very high | 56 Ų | 56 | 107.1 Ų | 107.1 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | 127.6 | 171.5 | -28.5 | 39.8 | 0 | 0 | 0 | 111.8 | P118 M120 | P106-P118 WeakPolarHBondContact CB-O 3.49Å; P106-M120 HydrophobicContact CB-CG 3.76Å; P106-M120 HydrophobicContact CG-CE 4.29Å; P106-M120 HydrophobicContact CG-CG 3.5Å; P106-M120 VanDerWaalsContact CG-CG 3.5Å; P106-M120 HydrophobicContact CG-SD 4.14Å |
| 107 | G | 86.6 | Confident | 90.9 | Very high | 43 Ų | 43 | 106.4 Ų | 106.4 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 92.8 | -9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F105 I117 | F105-G107 PolarHBondContact O-N 3.27Å; G107-I117 WeakPolarHBondContact CA-O 3.34Å; G107-I117 PolarHBondContact N-O 2.98Å |
| 108 | D | 92.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 106.9 Ų | 106.9 | 37% | 0.369 | 59% | 0.59 | S | S | . | * | trans | -71.1 | 149.8 | 174.9 | -70.9 | -17.9 | 0 | 0 | 0 | 111.5 | F105 V116 I117 | F105-D108 WeakPolarHBondContact CA-OD2 3.47Å; F105-D108 WeakPolarHBondContact CB-OD2 3.22Å; F105-D108 PolarHBondContact N-OD2 3.21Å; F105-D108 VanDerWaalsContact O-CB 3.29Å; F105-D108 WeakPolarHBondContact O-CB 3.33Å; F105-D108 PolarHBondContact O-N 2.97Å; F105-D108 VanDerWaalsContact O-N 3.08Å; D108-V116 WeakPolarHBondContact O-CA 3.2Å; D108-I117 HydrophobicContact CB-CD1 4.49Å; D108-I117 WeakPolarHBondContact O-CG1 3.43Å; D108-I117 PolarHBondContact O-N 3.24Å | ||
| 109 | T | 89.6 | Confident | 90.5 | Very high | 81 Ų | 81 | 106.5 Ų | 106.5 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | B | Isolated β-bridge | trans | -105.7 | 123 | 172.5 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | L111 E115 V116 | T109-L111 PolarHBondContact O-N 2.96Å; T109-E115 WeakPolarHBondContact CA-O 3.07Å; T109-V116 HydrophobicContact CG2-CG2 4.15Å |
| 110 | I | 89.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 105.7 Ų | 105.7 | 27% | 0.267 | 58% | 0.583 | S | S | . | * | trans | -72.1 | 115.9 | 176.1 | -57.8 | 176.1 | 0 | 0 | 0 | 108.5 | E112 T113 G114 E115 I117 | I110-E112 HydrophobicContact CG2-CB 4.5Å; I110-E112 PolarHBondContact O-N 3.2Å; I110-T113 PolarHBondContact O-N 3.38Å; I110-G114 VanDerWaalsContact O-CA 3.31Å; I110-G114 WeakPolarHBondContact O-CA 3.32Å; I110-G114 PolarHBondContact O-N 3.07Å; I110-E115 PolarHBondContact N-O 2.81Å; I110-I117 HydrophobicContact CG1-CD1 4.41Å | ||
| 111 | L | 89.7 | Confident | 89.7 | Confident | 176 Ų | 176 | 108.8 Ų | 108.8 | 92% | 0.921 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -32.7 | -176.4 | -66.2 | 175.9 | 0 | 0 | 0 | 113.7 | T109 | T109-L111 PolarHBondContact O-N 2.96Š|
| 112 | E | 90.3 | Very high | 89.3 | Confident | 192 Ų | 192 | 107.3 Ų | 107.3 | 90% | 0.897 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -30.5 | -177.3 | -61.4 | -178.2 | 175.3 | 0 | 0 | 113 | I110 | I110-E112 HydrophobicContact CG2-CB 4.5Å; I110-E112 PolarHBondContact O-N 3.2Å |
| 113 | T | 89.3 | Confident | 88.9 | Confident | 85 Ų | 85 | 109.8 Ų | 109.8 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.9 | -20.3 | -173.6 | -35.5 | 0 | 0 | 0 | 0 | 112.6 | I110 E115 | I110-T113 PolarHBondContact O-N 3.38Å; T113-E115 HydrophobicContact CG2-CB 4.48Å; T113-E115 HydrophobicContact CG2-CG 3.74Å; T113-E115 PolarHBondContact O-N 3.36Å |
| 114 | G | 88.1 | Confident | 88.4 | Confident | 50 Ų | 50 | 106.2 Ų | 106.2 | 52% | 0.515 | 58% | 0.583 | S | S | . | * | trans | 71.5 | 1.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I110 V116 | I110-G114 VanDerWaalsContact O-CA 3.31Å; I110-G114 WeakPolarHBondContact O-CA 3.32Å; I110-G114 PolarHBondContact O-N 3.07Å; G114-V116 PolarHBondContact O-N 3.49Å | ||
| 115 | E | 87.5 | Confident | 87.8 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 127.9 | -179.1 | -72 | -179.9 | -179.2 | 0 | 0 | 110.8 | T109 I110 T113 | T109-E115 WeakPolarHBondContact CA-O 3.07Å; I110-E115 PolarHBondContact N-O 2.81Å; T113-E115 HydrophobicContact CG2-CB 4.48Å; T113-E115 HydrophobicContact CG2-CG 3.74Å; T113-E115 PolarHBondContact O-N 3.36Å |
| 116 | V | 90.1 | Very high | 87.2 | Confident | 98 Ų | 98 | 110 Ų | 110 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | B | Isolated β-bridge | trans | -90.6 | 128.1 | 173.1 | -177 | 0 | 0 | 0 | 0 | 108.3 | D108 T109 G114 | D108-V116 WeakPolarHBondContact O-CA 3.2Å; T109-V116 HydrophobicContact CG2-CG2 4.15Å; G114-V116 PolarHBondContact O-N 3.49Å |
| 117 | I | 89.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 115.4 Ų | 115.4 | 18% | 0.179 | 62% | 0.624 | C | S | . | * | P | Polyproline II helix | trans | -78 | 131.5 | -176.3 | -63.1 | -176.7 | 0 | 0 | 0 | 109.1 | I104 G107 D108 I110 | I104-I117 HydrophobicContact CB-CD1 4.32Å; I104-I117 HydrophobicContact CG2-CD1 2.82Å; I104-I117 HydrophobicContact CG2-CG1 4.31Å; G107-I117 WeakPolarHBondContact CA-O 3.34Å; G107-I117 PolarHBondContact N-O 2.98Å; D108-I117 HydrophobicContact CB-CD1 4.49Å; D108-I117 WeakPolarHBondContact O-CG1 3.43Å; D108-I117 PolarHBondContact O-N 3.24Å; I110-I117 HydrophobicContact CG1-CD1 4.41Å |
| 118 | P | 89.3 | Confident | 84.4 | Confident | 101 Ų | 101 | 125.8 Ų | 125.8 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137 | -176.5 | 22.1 | -33.1 | 0 | 0 | 0 | 110.4 | P106 | P106-P118 WeakPolarHBondContact CB-O 3.49Š|
| 119 | P | 88.2 | Confident | 84 | Confident | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 156.8 | 176.3 | 27.7 | -34.2 | 0 | 0 | 0 | 110.3 | ||
| 120 | M | 87.1 | Confident | 83.7 | Confident | 121 Ų | 121 | 131.1 Ų | 131.1 | 60% | 0.596 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.2 | 172.3 | -67.3 | -172.4 | -87.6 | 0 | 0 | 109.8 | P106 F123 | P106-M120 HydrophobicContact CB-CG 3.76Å; P106-M120 HydrophobicContact CG-CE 4.29Å; P106-M120 HydrophobicContact CG-CG 3.5Å; P106-M120 VanDerWaalsContact CG-CG 3.5Å; P106-M120 HydrophobicContact CG-SD 4.14Å; M120-F123 HydrophobicContact CB-CE2 4.18Å; M120-F123 HydrophobicContact SD-CE2 4.32Å; M120-F123 HydrophobicContact SD-CZ 4.47Å |
| 121 | K | 85.1 | Confident | 83.4 | Confident | 186 Ų | 186 | 135.5 Ų | 135.5 | 81% | 0.809 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.7 | 171.1 | -67.1 | -175.9 | 178.2 | -179.7 | 0 | 109.3 | F123 | K121-F123 PolarHBondContact O-N 3.27Š|
| 122 | D | 83.6 | Confident | 83.1 | Confident | 164 Ų | 164 | 133.1 Ų | 133.1 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 129.1 | 176.6 | -60.4 | -41.7 | 0 | 0 | 0 | 110.2 | ||
| 123 | F | 83.5 | Confident | 82.6 | Confident | 161 Ų | 161 | 129.4 Ų | 129.4 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 136.2 | 174.8 | -65.4 | -81.1 | 0 | 0 | 0 | 108.8 | M120 K121 D125 | M120-F123 HydrophobicContact CB-CE2 4.18Å; M120-F123 HydrophobicContact SD-CE2 4.32Å; M120-F123 HydrophobicContact SD-CZ 4.47Å; K121-F123 PolarHBondContact O-N 3.27Å; F123-D125 PolarHBondContact O-N 3.24Å |
| 124 | P | 81.8 | Confident | 82.2 | Confident | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | trans | -66.2 | 106.8 | 172.8 | 26.4 | -31 | 0 | 0 | 0 | 108.7 | Q126 | P124-Q126 PolarHBondContact O-N 3.08Š| ||
| 125 | D | 79 | Confident | 81.7 | Confident | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | -71.3 | 119.6 | 178.2 | -160.8 | 0.1 | 0 | 0 | 0 | 109.3 | F123 H127 | F123-D125 PolarHBondContact O-N 3.24Å; D125-H127 PolarHBondContact OD1-N 2.69Å | ||
| 126 | Q | 79.1 | Confident | 81.3 | Confident | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | trans | -99.7 | 2 | -179.1 | -66.8 | -174.8 | -4.2 | 0 | 0 | 112.3 | P124 | P124-Q126 PolarHBondContact O-N 3.08Š| ||
| 127 | H | 68.1 | Low | 80.6 | Confident | 169 Ų | 169 | 143.1 Ų | 143.1 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | trans | -94.8 | 104.8 | 177.3 | -82.5 | -70.9 | 0 | 0 | 0 | 111 | D125 | D125-H127 PolarHBondContact OD1-N 2.69Š| ||
| 128 | H | 52.3 | Low | 79.7 | Confident | 260 Ų | 260 | 152.9 Ų | 152.9 | 100% | 1.204 | 78% | 0.776 | S | S | * | * | trans | -91.4 | 0 | 161.6 | -74 | -61 | 0 | 0 | 0 | 110.8 |
Retrieved 128 of 128 residues in 23.6 ms
(Link to these results)