| 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 | 38.1 | Very low | 38.2 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 99% | 0.985 | 64% | 0.644 | S | S | * | * | 0 | -48.6 | 0 | -152.4 | -179.2 | -86.3 | 0 | 0 | 111.8 | Y3 M4 I5 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.17Å; M1-M4 WeakPolarHBondContact O-CB 3.36Å; M1-M4 PolarHBondContact O-N 3.29Å; M1-I5 PolarHBondContact O-N 3.19Å | |||
| 2 | E | 35.1 | Very low | 37.9 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 72% | 0.715 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -53.8 | -39.8 | 179 | -141.4 | -178.1 | 177.6 | 0 | 0 | 115.2 | M4 I5 K6 | E2-M4 VanDerWaalsContact C-N 3.33Å; E2-M4 PolarHBondContact O-N 3.5Å; E2-I5 PolarHBondContact O-N 3Å; E2-K6 PolarHBondContact O-N 3.31Å |
| 3 | Y | 41.4 | Very low | 38 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.6 | -37.6 | 175.1 | -177.2 | -95.2 | 0 | 0 | 0 | 113 | M1 R7 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.17Å; Y3-R7 WeakPolarHBondContact O-CB 3.45Å; Y3-R7 PolarHBondContact O-N 3.15Å |
| 4 | M | 31.9 | Very low | 38.4 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 69% | 0.685 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.7 | -41.1 | 176.7 | -73.4 | -113.9 | -70.1 | 0 | 0 | 111.1 | M1 E2 R7 C8 | M1-M4 WeakPolarHBondContact O-CB 3.36Å; M1-M4 PolarHBondContact O-N 3.29Å; E2-M4 VanDerWaalsContact C-N 3.33Å; E2-M4 PolarHBondContact O-N 3.5Å; M4-R7 PolarHBondContact O-N 3.11Å; M4-C8 WeakPolarHBondContact O-CB 3.4Å; M4-C8 PolarHBondContact O-N 2.55Å |
| 5 | I | 33.9 | Very low | 38.4 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 57% | 0.569 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.6 | -46.2 | 176.1 | -64.5 | 169.8 | 0 | 0 | 0 | 110.4 | M1 E2 R7 C8 S9 | M1-I5 PolarHBondContact O-N 3.19Å; E2-I5 PolarHBondContact O-N 3Å; I5-R7 VanDerWaalsContact C-N 3.3Å; I5-R7 PolarHBondContact O-N 3.18Å; I5-C8 PolarHBondContact O-N 3.28Å; I5-S9 WeakPolarHBondContact O-CB 3.47Å; I5-S9 PolarHBondContact O-N 2.89Å; I5-S9 PolarHBondContact O-OG 2.9Å |
| 6 | K | 40.1 | Very low | 38.6 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 55% | 0.548 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.4 | -34.9 | 175.1 | -103.1 | 175 | 178.4 | 165.6 | 0 | 113.2 | E2 S9 R10 | E2-K6 PolarHBondContact O-N 3.31Å; K6-S9 PolarHBondContact O-OG 3.16Å; K6-S9 VanDerWaalsContact O-OG 3.11Å; K6-R10 WeakPolarHBondContact O-CB 3.14Å; K6-R10 VanDerWaalsContact O-CG 3.24Å; K6-R10 WeakPolarHBondContact O-CG 3.2Å; K6-R10 PolarHBondContact O-N 2.85Å; K6-R10 VanDerWaalsContact O-N 3.15Å |
| 7 | R | 42.8 | Very low | 39.2 | Very low | 173 Ų | 173 | 121.1 Ų | 121.1 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.9 | -41.4 | 178.8 | -164.2 | 174.5 | -178.4 | 169.1 | 0.3 | 111.6 | Y3 M4 I5 S11 | Y3-R7 WeakPolarHBondContact O-CB 3.45Å; Y3-R7 PolarHBondContact O-N 3.15Å; M4-R7 PolarHBondContact O-N 3.11Å; I5-R7 VanDerWaalsContact C-N 3.3Å; I5-R7 PolarHBondContact O-N 3.18Å; R7-S11 WeakPolarHBondContact O-CB 3.13Å; R7-S11 PolarHBondContact O-N 3.23Å |
| 8 | C | 35.3 | Very low | 40 | Very low | 85 Ų | 85 | 121 Ų | 121 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65 | -43.5 | 174.1 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | M4 I5 R10 S11 L12 | M4-C8 WeakPolarHBondContact O-CB 3.4Å; M4-C8 PolarHBondContact O-N 2.55Å; I5-C8 PolarHBondContact O-N 3.28Å; C8-R10 PolarHBondContact O-N 2.91Å; C8-S11 PolarHBondContact O-N 2.75Å; C8-L12 WeakPolarHBondContact O-CB 2.94Å; C8-L12 PolarHBondContact O-N 3.23Å |
| 9 | S | 36.7 | Very low | 40.7 | Very low | 63 Ų | 63 | 117.6 Ų | 117.6 | 44% | 0.441 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 177.6 | 72 | 0 | 0 | 0 | 0 | 112.2 | I5 K6 L12 A13 | I5-S9 WeakPolarHBondContact O-CB 3.47Å; I5-S9 PolarHBondContact O-N 2.89Å; I5-S9 PolarHBondContact O-OG 2.9Å; K6-S9 PolarHBondContact O-OG 3.16Å; K6-S9 VanDerWaalsContact O-OG 3.11Å; S9-L12 PolarHBondContact O-N 3.13Å; S9-A13 VanDerWaalsContact O-CB 3.24Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 2.94Å |
| 10 | R | 42 | Very low | 41.6 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 68% | 0.679 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -37.8 | 173.9 | -76.1 | 175.2 | 178.7 | 177.4 | -0.5 | 112.9 | K6 C8 K14 | K6-R10 WeakPolarHBondContact O-CB 3.14Å; K6-R10 VanDerWaalsContact O-CG 3.24Å; K6-R10 WeakPolarHBondContact O-CG 3.2Å; K6-R10 PolarHBondContact O-N 2.85Å; K6-R10 VanDerWaalsContact O-N 3.15Å; C8-R10 PolarHBondContact O-N 2.91Å; R10-K14 WeakPolarHBondContact O-CB 3.16Å; R10-K14 PolarHBondContact O-N 3.45Å |
| 11 | S | 42.8 | Very low | 42.6 | Very low | 79 Ų | 79 | 116 Ų | 116 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.6 | -45.9 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | R7 C8 K14 Y15 | R7-S11 WeakPolarHBondContact O-CB 3.13Å; R7-S11 PolarHBondContact O-N 3.23Å; C8-S11 PolarHBondContact O-N 2.75Å; S11-K14 PolarHBondContact O-N 3.29Å; S11-Y15 WeakPolarHBondContact O-CB 3.37Å; S11-Y15 PolarHBondContact O-N 3.05Å |
| 12 | L | 34.6 | Very low | 43.9 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 178.1 | -168.9 | 71.7 | 0 | 0 | 0 | 111 | C8 S9 K14 Y15 I16 | C8-L12 WeakPolarHBondContact O-CB 2.94Å; C8-L12 PolarHBondContact O-N 3.23Å; S9-L12 PolarHBondContact O-N 3.13Å; L12-K14 PolarHBondContact O-N 3.25Å; L12-Y15 WeakPolarHBondContact O-CB 3.45Å; L12-Y15 PolarHBondContact O-N 2.87Å; L12-I16 HydrophobicContact CD2-CD1 4.44Å; L12-I16 HydrophobicContact CG-CD1 3.97Å; L12-I16 WeakPolarHBondContact O-CB 3.32Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 2.88Å |
| 13 | A | 39.8 | Very low | 45.5 | Very low | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S9 Y15 I16 N17 | S9-A13 VanDerWaalsContact O-CB 3.24Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 2.94Å; A13-Y15 VanDerWaalsContact C-N 3.34Å; A13-Y15 PolarHBondContact O-N 2.83Å; A13-I16 PolarHBondContact O-N 3.11Å; A13-N17 WeakPolarHBondContact O-CB 3.44Å; A13-N17 PolarHBondContact O-N 2.72Å |
| 14 | K | 42.8 | Very low | 46.9 | Very low | 166 Ų | 166 | 102.2 Ų | 102.2 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 173.8 | -86.2 | -174.4 | 174.2 | -175.4 | 0 | 112.6 | R10 S11 L12 K18 | R10-K14 WeakPolarHBondContact O-CB 3.16Å; R10-K14 PolarHBondContact O-N 3.45Å; S11-K14 PolarHBondContact O-N 3.29Å; L12-K14 PolarHBondContact O-N 3.25Å; K14-K18 WeakPolarHBondContact O-CB 3.48Å; K14-K18 PolarHBondContact O-N 3.23Å |
| 15 | Y | 38.2 | Very low | 48.9 | Very low | 90 Ų | 90 | 97.1 Ų | 97.1 | 35% | 0.353 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 176.8 | -178.9 | -96.5 | 0 | 0 | 0 | 111.6 | S11 L12 A13 N17 K18 N19 V1064 | S11-Y15 WeakPolarHBondContact O-CB 3.37Å; S11-Y15 PolarHBondContact O-N 3.05Å; L12-Y15 WeakPolarHBondContact O-CB 3.45Å; L12-Y15 PolarHBondContact O-N 2.87Å; A13-Y15 VanDerWaalsContact C-N 3.34Å; A13-Y15 PolarHBondContact O-N 2.83Å; Y15-N17 PolarHBondContact O-N 2.76Å; Y15-K18 PolarHBondContact O-N 2.71Å; Y15-N19 VanDerWaalsContact CE1-ND2 3.25Å; Y15-N19 WeakPolarHBondContact CE1-ND2 3.34Å; Y15-N19 VanDerWaalsContact CZ-ND2 3.31Å; Y15-N19 PolarHBondContact O-N 2.87Å; Y15-N19 PolarHBondContact OH-ND2 3.44Å; Y15-V1064 HydrophobicContact CE2-CG1 4.31Å |
| 16 | I | 41.4 | Very low | 50.9 | Low | 72 Ų | 72 | 93.9 Ų | 93.9 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.8 | -67.8 | 166.8 | 0 | 0 | 0 | 110.5 | L12 A13 N19 R20 | L12-I16 HydrophobicContact CD2-CD1 4.44Å; L12-I16 HydrophobicContact CG-CD1 3.97Å; L12-I16 WeakPolarHBondContact O-CB 3.32Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 2.88Å; A13-I16 PolarHBondContact O-N 3.11Å; I16-N19 PolarHBondContact O-N 3.21Å; I16-R20 WeakPolarHBondContact O-CB 3.46Å; I16-R20 WeakPolarHBondContact O-CG 3.28Å; I16-R20 PolarHBondContact O-N 2.98Å |
| 17 | N | 50.1 | Low | 52.9 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 46% | 0.46 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.7 | -108.5 | 21.2 | 0 | 0 | 0 | 112.2 | A13 Y15 N19 R20 D21 | A13-N17 WeakPolarHBondContact O-CB 3.44Å; A13-N17 PolarHBondContact O-N 2.72Å; Y15-N17 PolarHBondContact O-N 2.76Å; N17-N19 VanDerWaalsContact C-N 3.31Å; N17-N19 PolarHBondContact O-N 2.9Å; N17-R20 PolarHBondContact O-N 3.24Å; N17-R20 VanDerWaalsContact O-N 3.16Å; N17-D21 VanDerWaalsContact O-CG 3.23Å; N17-D21 PolarHBondContact O-N 3.4Å |
| 18 | K | 53 | Low | 54.8 | Low | 120 Ų | 120 | 83.9 Ų | 83.9 | 52% | 0.522 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | -179.4 | -169.9 | -177.5 | 178.3 | -167.9 | 0 | 112.2 | K14 Y15 Y22 | K14-K18 WeakPolarHBondContact O-CB 3.48Å; K14-K18 PolarHBondContact O-N 3.23Å; Y15-K18 PolarHBondContact O-N 2.71Å; K18-Y22 WeakPolarHBondContact O-CB 3.21Å; K18-Y22 PolarHBondContact O-N 2.88Å |
| 19 | N | 53.7 | Low | 57.2 | Low | 56 Ų | 56 | 80.9 Ų | 80.9 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 175 | -76.8 | -5 | 0 | 0 | 0 | 111.7 | Y15 I16 N17 Y22 E23 | Y15-N19 VanDerWaalsContact CE1-ND2 3.25Å; Y15-N19 WeakPolarHBondContact CE1-ND2 3.34Å; Y15-N19 VanDerWaalsContact CZ-ND2 3.31Å; Y15-N19 PolarHBondContact O-N 2.87Å; Y15-N19 PolarHBondContact OH-ND2 3.44Å; I16-N19 PolarHBondContact O-N 3.21Å; N17-N19 VanDerWaalsContact C-N 3.31Å; N17-N19 PolarHBondContact O-N 2.9Å; N19-Y22 PolarHBondContact O-N 3.23Å; N19-E23 WeakPolarHBondContact O-CG 3.37Å; N19-E23 PolarHBondContact O-N 3.5Å |
| 20 | R | 57.6 | Low | 59.6 | Low | 147 Ų | 147 | 81.6 Ų | 81.6 | 56% | 0.555 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.6 | -50.2 | 174.6 | -77.9 | -180 | 178.1 | -178.4 | -1.5 | 112 | I16 N17 Y22 E23 I24 | I16-R20 WeakPolarHBondContact O-CB 3.46Å; I16-R20 WeakPolarHBondContact O-CG 3.28Å; I16-R20 PolarHBondContact O-N 2.98Å; N17-R20 PolarHBondContact O-N 3.24Å; N17-R20 VanDerWaalsContact O-N 3.16Å; R20-Y22 PolarHBondContact O-N 3.49Å; R20-E23 PolarHBondContact O-N 2.94Å; R20-I24 HydrophobicContact CB-CD1 4.43Å; R20-I24 WeakPolarHBondContact O-CB 3.45Å; R20-I24 WeakPolarHBondContact O-CD1 3.3Å; R20-I24 WeakPolarHBondContact O-CG1 3.35Å; R20-I24 PolarHBondContact O-N 2.65Å |
| 21 | D | 62.9 | Low | 61.8 | Low | 55 Ų | 55 | 73.7 Ų | 73.7 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.3 | -35.4 | 179.9 | -64.9 | -22.7 | 0 | 0 | 0 | 111.7 | N17 S25 T482 | N17-D21 VanDerWaalsContact O-CG 3.23Å; N17-D21 PolarHBondContact O-N 3.4Å; D21-S25 WeakPolarHBondContact O-CB 3.47Å; D21-S25 PolarHBondContact O-N 3.25Å; D21-T482 VanDerWaalsContact OD1-CG2 3.28Å; D21-T482 WeakPolarHBondContact OD1-CG2 3.24Å |
| 22 | Y | 65.4 | Low | 63.9 | Low | 77 Ų | 77 | 70 Ų | 70 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.5 | -47.3 | 177.7 | -178.4 | -96 | 0 | 0 | 0 | 113.1 | K18 N19 R20 I24 S25 I26 D983 R1039 | K18-Y22 WeakPolarHBondContact O-CB 3.21Å; K18-Y22 PolarHBondContact O-N 2.88Å; N19-Y22 PolarHBondContact O-N 3.23Å; R20-Y22 PolarHBondContact O-N 3.49Å; Y22-I24 VanDerWaalsContact C-N 3.29Å; Y22-I24 PolarHBondContact O-N 2.85Å; Y22-S25 WeakPolarHBondContact O-CB 3.46Å; Y22-S25 PolarHBondContact O-N 2.69Å; Y22-I26 HydrophobicContact CD1-CD1 3.88Å; Y22-I26 HydrophobicContact CE1-CD1 3.23Å; Y22-I26 HydrophobicContact CE1-CG1 4.22Å; Y22-I26 PolarHBondContact O-N 3.34Å; Y22-D983 PolarHBondContact OH-OD2 3.34Å; Y22-R1039 PolarHBondContact OH-NH2 3.21Å |
| 23 | E | 68.8 | Low | 66.7 | Low | 128 Ų | 128 | 66 Ų | 66 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 174.8 | -74.4 | 175.3 | 180 | 0 | 0 | 111.5 | N19 R20 S25 I26 L27 | N19-E23 WeakPolarHBondContact O-CG 3.37Å; N19-E23 PolarHBondContact O-N 3.5Å; R20-E23 PolarHBondContact O-N 2.94Å; E23-S25 PolarHBondContact O-N 3.09Å; E23-I26 PolarHBondContact O-N 2.73Å; E23-L27 PolarHBondContact O-N 3.04Å |
| 24 | I | 70.5 | Confident | 69.2 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.9 | -66.3 | 168.1 | 0 | 0 | 0 | 110.5 | R20 Y22 I26 L27 S28 I485 I489 | R20-I24 HydrophobicContact CB-CD1 4.43Å; R20-I24 WeakPolarHBondContact O-CB 3.45Å; R20-I24 WeakPolarHBondContact O-CD1 3.3Å; R20-I24 WeakPolarHBondContact O-CG1 3.35Å; R20-I24 PolarHBondContact O-N 2.65Å; Y22-I24 VanDerWaalsContact C-N 3.29Å; Y22-I24 PolarHBondContact O-N 2.85Å; I24-I26 VanDerWaalsContact C-N 3.35Å; I24-I26 PolarHBondContact O-N 3.13Å; I24-L27 PolarHBondContact O-N 3.17Å; I24-S28 PolarHBondContact O-N 2.81Å; I24-S28 VanDerWaalsContact O-N 3.11Å; I24-I485 HydrophobicContact CG2-CB 4.16Å; I24-I485 HydrophobicContact CG2-CG2 3.27Å; I24-I489 HydrophobicContact CB-CD1 4.39Å; I24-I489 HydrophobicContact CG2-CD1 3.26Å |
| 25 | S | 73.6 | Confident | 71.4 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | D21 Y22 E23 K29 | D21-S25 WeakPolarHBondContact O-CB 3.47Å; D21-S25 PolarHBondContact O-N 3.25Å; Y22-S25 WeakPolarHBondContact O-CB 3.46Å; Y22-S25 PolarHBondContact O-N 2.69Å; E23-S25 PolarHBondContact O-N 3.09Å; S25-K29 WeakPolarHBondContact O-CG 3.43Å; S25-K29 PolarHBondContact O-N 2.87Å; S25-K29 WeakPolarHBondContact OG-CE 3.38Å; S25-K29 PolarHBondContact OG-NZ 3.08Å |
| 26 | I | 77.8 | Confident | 74.1 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.3 | -69.9 | 169 | 0 | 0 | 0 | 110.5 | Y22 E23 I24 S28 K29 L30 | Y22-I26 HydrophobicContact CD1-CD1 3.88Å; Y22-I26 HydrophobicContact CE1-CD1 3.23Å; Y22-I26 HydrophobicContact CE1-CG1 4.22Å; Y22-I26 PolarHBondContact O-N 3.34Å; E23-I26 PolarHBondContact O-N 2.73Å; I24-I26 VanDerWaalsContact C-N 3.35Å; I24-I26 PolarHBondContact O-N 3.13Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 3.3Å; I26-K29 PolarHBondContact O-N 2.82Å; I26-K29 VanDerWaalsContact O-N 3.14Å; I26-L30 HydrophobicContact CG2-CD1 3.8Å; I26-L30 HydrophobicContact CG2-CG 4.12Å; I26-L30 WeakPolarHBondContact O-CG 3.19Å; I26-L30 PolarHBondContact O-N 2.84Å |
| 27 | L | 82 | Confident | 76.7 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 44% | 0.44 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 180 | -179.2 | 61.9 | 0 | 0 | 0 | 111.8 | E23 I24 K29 L30 L31 I489 | E23-L27 PolarHBondContact O-N 3.04Å; I24-L27 PolarHBondContact O-N 3.17Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 3.12Å; L27-L31 HydrophobicContact CD1-CD1 4.46Å; L27-L31 HydrophobicContact CD1-CG 4.44Å; L27-L31 HydrophobicContact CG-CD1 4.2Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.22Å; L27-I489 HydrophobicContact CD2-CD1 4.45Å; L27-I489 HydrophobicContact CD2-CG2 4.21Å |
| 28 | S | 81.7 | Confident | 78.7 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | I24 I26 L31 S32 L492 | I24-S28 PolarHBondContact O-N 2.81Å; I24-S28 VanDerWaalsContact O-N 3.11Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 3.3Å; S28-L31 PolarHBondContact O-N 3.37Å; S28-S32 PolarHBondContact O-N 3.1Å; S28-S32 PolarHBondContact O-OG 3.29Å; S28-L492 WeakPolarHBondContact OG-CD1 3.16Å |
| 29 | K | 85.6 | Confident | 80.6 | Confident | 23 Ų | 23 | 46 Ų | 46 | 10% | 0.1 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 179.9 | -65.5 | 166.6 | -173.3 | 167.9 | 0 | 113 | S25 I26 L27 S32 I33 L472 S475 W987 | S25-K29 WeakPolarHBondContact O-CG 3.43Å; S25-K29 PolarHBondContact O-N 2.87Å; S25-K29 WeakPolarHBondContact OG-CE 3.38Å; S25-K29 PolarHBondContact OG-NZ 3.08Å; I26-K29 PolarHBondContact O-N 2.82Å; I26-K29 VanDerWaalsContact O-N 3.14Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 3.33Å; K29-S32 PolarHBondContact O-N 3.02Å; K29-I33 PolarHBondContact O-N 3.43Å; K29-L472 HydrophobicContact CB-CD1 4Å; K29-L472 HydrophobicContact CG-CD1 3.99Å; K29-S475 WeakPolarHBondContact CE-O 3.5Å; K29-S475 VanDerWaalsContact CG-OG 3.31Å; K29-S475 WeakPolarHBondContact CG-OG 3.48Å; K29-W987 HydrophobicContact CB-CD2 4.44Å; K29-W987 HydrophobicContact CB-CE3 4.26Å; K29-W987 HydrophobicContact CB-CH2 3.47Å; K29-W987 VanDerWaalsContact CB-CH2 3.47Å; K29-W987 HydrophobicContact CB-CZ2 3.67Å; K29-W987 HydrophobicContact CB-CZ3 3.76Å; K29-W987 HydrophobicContact CD-CD2 3.85Å; K29-W987 HydrophobicContact CD-CE3 4.41Å; K29-W987 HydrophobicContact CD-CG 4.18Å; K29-W987 HydrophobicContact CD-CH2 4.4Å; K29-W987 HydrophobicContact CD-CZ2 3.83Å; K29-W987 HydrophobicContact CG-CH2 4.46Å; K29-W987 HydrophobicContact CG-CZ2 4.35Å |
| 30 | L | 86.5 | Confident | 82.6 | Confident | 77 Ų | 77 | 43.7 Ų | 43.7 | 40% | 0.403 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.6 | -71.1 | 174.6 | 0 | 0 | 0 | 111.2 | I26 L27 S32 I33 I34 | I26-L30 HydrophobicContact CG2-CD1 3.8Å; I26-L30 HydrophobicContact CG2-CG 4.12Å; I26-L30 WeakPolarHBondContact O-CG 3.19Å; I26-L30 PolarHBondContact O-N 2.84Å; L27-L30 PolarHBondContact O-N 3.12Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 3.44Å; L30-I33 PolarHBondContact O-N 3.34Å; L30-I34 WeakPolarHBondContact O-CG1 3.39Å; L30-I34 PolarHBondContact O-N 3.04Å |
| 31 | L | 88.2 | Confident | 84.3 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.3 | -70.5 | 168.7 | 0 | 0 | 0 | 111.3 | L27 S28 I33 I34 I35 I489 L492 L493 | L27-L31 HydrophobicContact CD1-CD1 4.46Å; L27-L31 HydrophobicContact CD1-CG 4.44Å; L27-L31 HydrophobicContact CG-CD1 4.2Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.22Å; S28-L31 PolarHBondContact O-N 3.37Å; L31-I33 VanDerWaalsContact C-N 3.35Å; L31-I33 PolarHBondContact O-N 2.82Å; L31-I34 PolarHBondContact O-N 3.34Å; L31-I35 WeakPolarHBondContact O-CD1 3.32Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.4Å; L31-I35 PolarHBondContact O-N 3.43Å; L31-I489 HydrophobicContact CD1-CG2 4Å; L31-L492 HydrophobicContact CB-CB 4Å; L31-L492 HydrophobicContact CB-CD1 4.46Å; L31-L492 HydrophobicContact CD1-CB 4.03Å; L31-L493 HydrophobicContact CD2-CD1 4.35Å |
| 32 | S | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | 173.4 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | S28 K29 L30 I34 I35 A36 S468 T471 | S28-S32 PolarHBondContact O-N 3.1Å; S28-S32 PolarHBondContact O-OG 3.29Å; K29-S32 PolarHBondContact O-N 3.02Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 3.44Å; S32-I34 VanDerWaalsContact C-N 3.33Å; S32-I34 PolarHBondContact O-N 3.07Å; S32-I35 PolarHBondContact O-N 3.04Å; S32-A36 PolarHBondContact O-N 3.08Å; S32-S468 WeakPolarHBondContact O-CB 3.43Å; S32-S468 PolarHBondContact O-OG 2.84Å; S32-T471 WeakPolarHBondContact OG-CG2 3.25Å |
| 33 | I | 91.5 | Very high | 86.9 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 175.7 | -70.3 | 168.5 | 0 | 0 | 0 | 111.2 | K29 L30 L31 I35 A36 F37 W987 A1032 | K29-I33 PolarHBondContact O-N 3.43Å; L30-I33 PolarHBondContact O-N 3.34Å; L31-I33 VanDerWaalsContact C-N 3.35Å; L31-I33 PolarHBondContact O-N 2.82Å; I33-I35 VanDerWaalsContact C-N 3.29Å; I33-I35 PolarHBondContact O-N 2.94Å; I33-A36 WeakPolarHBondContact O-CB 3.46Å; I33-A36 PolarHBondContact O-N 2.91Å; I33-A36 VanDerWaalsContact O-N 3.1Å; I33-F37 HydrophobicContact CG2-CD2 3.7Å; I33-F37 HydrophobicContact CG2-CE2 3.61Å; I33-F37 WeakPolarHBondContact O-CD2 3.49Å; I33-F37 PolarHBondContact O-N 2.73Å; I33-F37 VanDerWaalsContact O-N 3.09Å; I33-W987 HydrophobicContact CD1-CH2 3.72Å; I33-W987 HydrophobicContact CD1-CZ3 3.42Å; I33-W987 VanDerWaalsContact CD1-CZ3 3.42Å; I33-W987 HydrophobicContact CG1-CZ3 4.19Å; I33-A1032 HydrophobicContact CG2-CB 4.34Å |
| 34 | I | 92.3 | Very high | 88 | Confident | 84 Ų | 84 | 26.6 Ų | 26.6 | 43% | 0.431 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 178.6 | -68.2 | 165.4 | 0 | 0 | 0 | 110.4 | L30 L31 S32 A36 F37 L38 | L30-I34 WeakPolarHBondContact O-CG1 3.39Å; L30-I34 PolarHBondContact O-N 3.04Å; L31-I34 PolarHBondContact O-N 3.34Å; S32-I34 VanDerWaalsContact C-N 3.33Å; S32-I34 PolarHBondContact O-N 3.07Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 PolarHBondContact O-N 3.4Å; I34-F37 PolarHBondContact O-N 3.07Å; I34-L38 HydrophobicContact CG2-CD1 3.87Å; I34-L38 HydrophobicContact CG2-CG 4.31Å; I34-L38 WeakPolarHBondContact O-CG 3.45Å; I34-L38 PolarHBondContact O-N 3.4Å |
| 35 | I | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 177 | -62.9 | 157.4 | 0 | 0 | 0 | 111.5 | L31 S32 I33 F37 L38 G39 L464 F467 L492 T495 C496 | L31-I35 WeakPolarHBondContact O-CD1 3.32Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.4Å; L31-I35 PolarHBondContact O-N 3.43Å; S32-I35 PolarHBondContact O-N 3.04Å; I33-I35 VanDerWaalsContact C-N 3.29Å; I33-I35 PolarHBondContact O-N 2.94Å; I35-F37 VanDerWaalsContact C-N 3.35Å; I35-F37 PolarHBondContact O-N 3.18Å; I35-L38 PolarHBondContact O-N 3.43Å; I35-G39 PolarHBondContact O-N 3.48Å; I35-L464 HydrophobicContact CG2-CB 4.49Å; I35-L464 HydrophobicContact CG2-CD2 4.12Å; I35-F467 HydrophobicContact CD1-CE1 4.28Å; I35-F467 HydrophobicContact CG2-CD1 4.2Å; I35-L492 HydrophobicContact CD1-CB 4.22Å; I35-L492 HydrophobicContact CD1-CD2 3.43Å; I35-L492 VanDerWaalsContact CD1-CD2 3.43Å; I35-L492 HydrophobicContact CD1-CG 4.44Å; I35-T495 WeakPolarHBondContact CD1-OG1 3.4Å; I35-C496 WeakPolarHBondContact CG1-SG 3.33Å |
| 36 | A | 93.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 27 Ų | 27 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S32 I33 I34 G39 I40 T465 S468 | S32-A36 PolarHBondContact O-N 3.08Å; I33-A36 WeakPolarHBondContact O-CB 3.46Å; I33-A36 PolarHBondContact O-N 2.91Å; I33-A36 VanDerWaalsContact O-N 3.1Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 PolarHBondContact O-N 3.4Å; A36-G39 PolarHBondContact O-N 3.34Å; A36-I40 VanDerWaalsContact O-CG1 3.3Å; A36-I40 WeakPolarHBondContact O-CG1 3.4Å; A36-I40 PolarHBondContact O-N 3.22Å; A36-T465 WeakPolarHBondContact O-CG2 3.35Å; A36-S468 WeakPolarHBondContact CB-OG 3.26Å |
| 37 | F | 95.4 | Very high | 90.1 | Very high | 57 Ų | 57 | 25.1 Ų | 25.1 | 25% | 0.25 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70 | -33.3 | 178.4 | -75.9 | -70.4 | 0 | 0 | 0 | 113.5 | I33 I34 I35 G39 I40 G41 L1028 L1029 A1032 | I33-F37 HydrophobicContact CG2-CD2 3.7Å; I33-F37 HydrophobicContact CG2-CE2 3.61Å; I33-F37 WeakPolarHBondContact O-CD2 3.49Å; I33-F37 PolarHBondContact O-N 2.73Å; I33-F37 VanDerWaalsContact O-N 3.09Å; I34-F37 PolarHBondContact O-N 3.07Å; I35-F37 VanDerWaalsContact C-N 3.35Å; I35-F37 PolarHBondContact O-N 3.18Å; F37-G39 VanDerWaalsContact C-N 3.34Å; F37-I40 HydrophobicContact CD1-CD1 4.02Å; F37-I40 HydrophobicContact CE1-CD1 4.17Å; F37-I40 PolarHBondContact O-N 2.79Å; F37-G41 PolarHBondContact O-N 2.97Å; F37-L1028 HydrophobicContact CZ-CD2 4.44Å; F37-L1028 HydrophobicContact CZ-CG 4.16Å; F37-L1029 HydrophobicContact CD1-CD1 4.48Å; F37-L1029 HydrophobicContact CE1-CB 3.87Å; F37-L1029 HydrophobicContact CE1-CD1 3.87Å; F37-L1029 HydrophobicContact CE1-CG 4.42Å; F37-L1029 HydrophobicContact CE2-CD1 4.14Å; F37-L1029 HydrophobicContact CZ-CB 3.81Å; F37-L1029 HydrophobicContact CZ-CD1 3.7Å; F37-L1029 HydrophobicContact CZ-CG 4.38Å; F37-A1032 HydrophobicContact CE2-CB 4.3Å |
| 38 | L | 92.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 23.2 Ų | 23.2 | 12% | 0.115 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 170.7 | -69.8 | 171.6 | 0 | 0 | 0 | 111.4 | I34 I35 G41 L42 C496 S499 F500 L503 | I34-L38 HydrophobicContact CG2-CD1 3.87Å; I34-L38 HydrophobicContact CG2-CG 4.31Å; I34-L38 WeakPolarHBondContact O-CG 3.45Å; I34-L38 PolarHBondContact O-N 3.4Å; I35-L38 PolarHBondContact O-N 3.43Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 PolarHBondContact O-N 3.42Å; L38-C496 HydrophobicContact CD1-CB 4.36Å; L38-S499 VanDerWaalsContact CD1-OG 3.22Å; L38-S499 WeakPolarHBondContact CD1-OG 3.38Å; L38-F500 HydrophobicContact CD1-CB 4.45Å; L38-F500 HydrophobicContact CD2-CB 4.3Å; L38-F500 HydrophobicContact CD2-CD2 4.13Å; L38-L503 HydrophobicContact CD2-CD2 4.16Å |
| 39 | G | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I35 A36 F37 L42 F43 G461 | I35-G39 PolarHBondContact O-N 3.48Å; A36-G39 PolarHBondContact O-N 3.34Å; F37-G39 VanDerWaalsContact C-N 3.34Å; G39-L42 PolarHBondContact O-N 3.22Å; G39-F43 WeakPolarHBondContact O-CB 3.27Å; G39-F43 PolarHBondContact O-N 3.36Å; G39-G461 WeakPolarHBondContact O-CA 3.44Å |
| 40 | I | 96 | Very high | 89.3 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 172.4 | -67.5 | 164.3 | 0 | 0 | 0 | 110.3 | A36 F37 L42 F43 L44 T465 T997 M1001 M1025 L1028 | A36-I40 VanDerWaalsContact O-CG1 3.3Å; A36-I40 WeakPolarHBondContact O-CG1 3.4Å; A36-I40 PolarHBondContact O-N 3.22Å; F37-I40 HydrophobicContact CD1-CD1 4.02Å; F37-I40 HydrophobicContact CE1-CD1 4.17Å; F37-I40 PolarHBondContact O-N 2.79Å; I40-L42 PolarHBondContact O-N 2.99Å; I40-F43 WeakPolarHBondContact O-CB 3.24Å; I40-F43 PolarHBondContact O-N 3.07Å; I40-L44 HydrophobicContact CG2-CD1 4.02Å; I40-L44 HydrophobicContact CG2-CG 4.33Å; I40-L44 WeakPolarHBondContact O-CG 3.36Å; I40-L44 PolarHBondContact O-N 3.16Å; I40-T465 HydrophobicContact CG1-CG2 3.96Å; I40-T997 HydrophobicContact CD1-CG2 4.21Å; I40-M1001 HydrophobicContact CG1-CE 4.21Å; I40-M1001 HydrophobicContact CG1-SD 3.74Å; I40-M1025 HydrophobicContact CD1-CB 4.42Å; I40-M1025 HydrophobicContact CG2-CB 4.27Å; I40-M1025 HydrophobicContact CG2-SD 3.98Å; I40-L1028 HydrophobicContact CD1-CD2 4.38Å |
| 41 | G | 92.4 | Very high | 88.9 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 23% | 0.227 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F37 L38 L44 H45 | F37-G41 PolarHBondContact O-N 2.97Å; L38-G41 PolarHBondContact O-N 3.46Å; G41-L44 PolarHBondContact O-N 3.2Å; G41-H45 WeakPolarHBondContact O-CB 3.43Å; G41-H45 PolarHBondContact O-N 2.87Å |
| 42 | L | 90 | Very high | 88.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.6 | -172.2 | 64.2 | 0 | 0 | 0 | 112 | L38 G39 I40 H45 G46 R457 F460 L464 C502 L503 | L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 PolarHBondContact O-N 3.42Å; G39-L42 PolarHBondContact O-N 3.22Å; I40-L42 PolarHBondContact O-N 2.99Å; L42-H45 PolarHBondContact O-N 3.08Å; L42-G46 PolarHBondContact O-N 2.94Å; L42-G46 VanDerWaalsContact O-N 3.14Å; L42-R457 HydrophobicContact CD1-CB 4.36Å; L42-R457 HydrophobicContact CD1-CG 4.16Å; L42-R457 HydrophobicContact CG-CB 4.44Å; L42-F460 HydrophobicContact CD2-CB 3.55Å; L42-F460 HydrophobicContact CG-CB 4.5Å; L42-L464 HydrophobicContact CD2-CD1 3.93Å; L42-C502 HydrophobicContact CD1-CB 4.38Å; L42-L503 HydrophobicContact CB-CD1 4.48Å |
| 43 | F | 94.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 172.9 | 179.7 | -82 | 0 | 0 | 0 | 110.8 | G39 I40 H45 G46 F47 I458 L462 M1001 T1004 L1021 | G39-F43 WeakPolarHBondContact O-CB 3.27Å; G39-F43 PolarHBondContact O-N 3.36Å; I40-F43 WeakPolarHBondContact O-CB 3.24Å; I40-F43 PolarHBondContact O-N 3.07Å; F43-H45 VanDerWaalsContact C-N 3.29Å; F43-H45 PolarHBondContact O-N 2.82Å; F43-G46 CarbonylContact O-C 3.55Å; F43-G46 PolarHBondContact O-N 3.42Å; F43-F47 HydrophobicContact CD1-CB 4.08Å; F43-F47 HydrophobicContact CE1-CB 3.81Å; F43-F47 HydrophobicContact CE1-CD1 4.35Å; F43-F47 HydrophobicContact CE1-CD2 4.45Å; F43-F47 AromaticContact CE1-CG 3.93Å; F43-F47 HydrophobicContact CE1-CG 3.93Å; F43-F47 VanDerWaalsContact O-CB 3.25Å; F43-F47 WeakPolarHBondContact O-CB 3.46Å; F43-F47 PolarHBondContact O-N 3.42Å; F43-I458 HydrophobicContact CD2-CB 4.44Å; F43-I458 HydrophobicContact CD2-CG2 3.93Å; F43-I458 HydrophobicContact CE2-CB 4.48Å; F43-I458 HydrophobicContact CE2-CG2 3.57Å; F43-I458 HydrophobicContact CZ-CG2 4.29Å; F43-L462 HydrophobicContact CD2-CD2 4.19Å; F43-L462 HydrophobicContact CD2-CG 3.93Å; F43-L462 HydrophobicContact CE2-CD1 4.31Å; F43-L462 HydrophobicContact CE2-CD2 4.01Å; F43-L462 HydrophobicContact CE2-CG 3.94Å; F43-M1001 HydrophobicContact CB-CE 3.54Å; F43-M1001 HydrophobicContact CD1-CE 4.42Å; F43-M1001 HydrophobicContact CD2-CB 4.36Å; F43-M1001 HydrophobicContact CD2-CE 3.76Å; F43-M1001 HydrophobicContact CE2-CB 4.09Å; F43-M1001 VanDerWaalsContact CE2-O 3.24Å; F43-M1001 WeakPolarHBondContact CE2-O 3.43Å; F43-M1001 HydrophobicContact CG-CE 3.66Å; F43-M1001 HydrophobicContact CZ-CB 4.3Å; F43-M1001 WeakPolarHBondContact CZ-O 3.27Å; F43-T1004 HydrophobicContact CE1-CG2 4.35Å; F43-T1004 HydrophobicContact CZ-CG2 4.4Å; F43-L1021 HydrophobicContact CD1-CD2 3.93Å; F43-L1021 HydrophobicContact CE1-CD2 3.42Å; F43-L1021 VanDerWaalsContact CE1-CD2 3.42Å; F43-L1021 HydrophobicContact CZ-CD2 4.31Å |
| 44 | L | 91.7 | Very high | 87.9 | Confident | 25 Ų | 25 | 27.5 Ų | 27.5 | 13% | 0.131 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 179.2 | -69.8 | 176.4 | 0 | 0 | 0 | 111.6 | I40 G41 G46 F47 L48 L1021 M1025 | I40-L44 HydrophobicContact CG2-CD1 4.02Å; I40-L44 HydrophobicContact CG2-CG 4.33Å; I40-L44 WeakPolarHBondContact O-CG 3.36Å; I40-L44 PolarHBondContact O-N 3.16Å; G41-L44 PolarHBondContact O-N 3.2Å; L44-G46 PolarHBondContact O-N 2.73Å; L44-F47 PolarHBondContact O-N 3.49Å; L44-L48 HydrophobicContact CB-CD1 4.06Å; L44-L48 HydrophobicContact CB-CG 4.35Å; L44-L48 HydrophobicContact CD2-CD1 4.23Å; L44-L48 HydrophobicContact CD2-CG 4.24Å; L44-L48 VanDerWaalsContact O-CB 3.26Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 3.27Å; L44-L1021 HydrophobicContact CD2-CD2 4.07Å; L44-M1025 HydrophobicContact CD1-CE 4.39Å; L44-M1025 HydrophobicContact CD1-SD 3.73Å |
| 45 | H | 86.3 | Confident | 87.7 | Confident | 70 Ų | 70 | 30 Ų | 30 | 32% | 0.324 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.8 | -27.6 | 175.8 | -165.9 | 4.9 | 0 | 0 | 0 | 112.8 | G41 L42 F43 R457 | G41-H45 WeakPolarHBondContact O-CB 3.43Å; G41-H45 PolarHBondContact O-N 2.87Å; L42-H45 PolarHBondContact O-N 3.08Å; F43-H45 VanDerWaalsContact C-N 3.29Å; F43-H45 PolarHBondContact O-N 2.82Å; H45-R457 PolarHBondContact CD2-NH1 3.06Å; H45-R457 PolarHBondContact CE1-NH1 3.17Å; H45-R457 VanDerWaalsContact CG-NH1 3.34Å; H45-R457 PolarHBondContact ND1-NH1 3.32Å; H45-R457 PolarHBondContact NE2-NH1 3.5Å |
| 46 | G | 87.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85.6 | -27.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | L42 F43 L44 N454 | L42-G46 PolarHBondContact O-N 2.94Å; L42-G46 VanDerWaalsContact O-N 3.14Å; F43-G46 CarbonylContact O-C 3.55Å; F43-G46 PolarHBondContact O-N 3.42Å; L44-G46 PolarHBondContact O-N 2.73Å; G46-N454 PolarHBondContact O-N 3.46Å |
| 47 | F | 90.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -92.2 | -42.4 | -174.1 | 174.7 | -102.1 | 0 | 0 | 0 | 113.4 | F43 L44 L49 F453 I458 T1004 R1008 V1013 W1014 A1018 | F43-F47 HydrophobicContact CD1-CB 4.08Å; F43-F47 HydrophobicContact CE1-CB 3.81Å; F43-F47 HydrophobicContact CE1-CD1 4.35Å; F43-F47 HydrophobicContact CE1-CD2 4.45Å; F43-F47 AromaticContact CE1-CG 3.93Å; F43-F47 HydrophobicContact CE1-CG 3.93Å; F43-F47 VanDerWaalsContact O-CB 3.25Å; F43-F47 WeakPolarHBondContact O-CB 3.46Å; F43-F47 PolarHBondContact O-N 3.42Å; L44-F47 PolarHBondContact O-N 3.49Å; F47-L49 PolarHBondContact O-N 3.31Å; F47-F453 HydrophobicContact CD2-CD1 4.05Å; F47-F453 AromaticContact CD2-CE1 3.86Å; F47-F453 HydrophobicContact CD2-CE1 3.86Å; F47-F453 HydrophobicContact CE2-CD1 4.48Å; F47-F453 AromaticContact CE2-CE1 3.86Å; F47-F453 HydrophobicContact CE2-CE1 3.86Å; F47-F453 HydrophobicContact CE2-CZ 4.5Å; F47-F453 WeakPolarHBondContact O-CD1 3.2Å; F47-F453 WeakPolarHBondContact O-CE1 3.41Å; F47-I458 HydrophobicContact CB-CD1 4.19Å; F47-I458 HydrophobicContact CB-CG1 4.16Å; F47-I458 HydrophobicContact CD2-CD1 4.49Å; F47-T1004 HydrophobicContact CD1-CG2 4.16Å; F47-T1004 HydrophobicContact CD2-CG2 3.91Å; F47-T1004 HydrophobicContact CE1-CG2 3.62Å; F47-T1004 HydrophobicContact CE2-CG2 3.34Å; F47-T1004 HydrophobicContact CG-CG2 4.29Å; F47-T1004 HydrophobicContact CZ-CG2 3.18Å; F47-R1008 HydrophobicContact CD2-CB 4.13Å; F47-R1008 HydrophobicContact CE2-CB 3.86Å; F47-V1013 HydrophobicContact CE2-CG2 3.85Å; F47-V1013 HydrophobicContact CZ-CG2 3.67Å; F47-W1014 HydrophobicContact CE1-CH2 4.08Å; F47-W1014 AromaticContact CE1-CZ3 3.84Å; F47-W1014 HydrophobicContact CE1-CZ3 3.84Å; F47-W1014 HydrophobicContact CZ-CH2 4.04Å; F47-W1014 HydrophobicContact CZ-CZ3 4.02Å; F47-A1018 HydrophobicContact CE1-CB 3.7Å; F47-A1018 HydrophobicContact CZ-CB 3.87Å |
| 48 | L | 84.5 | Confident | 86.7 | Confident | 44 Ų | 44 | 35 Ų | 35 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -75.3 | 127.1 | -180 | -63.4 | 177.2 | 0 | 0 | 0 | 109.6 | L44 I153 W1014 | L44-L48 HydrophobicContact CB-CD1 4.06Å; L44-L48 HydrophobicContact CB-CG 4.35Å; L44-L48 HydrophobicContact CD2-CD1 4.23Å; L44-L48 HydrophobicContact CD2-CG 4.24Å; L44-L48 VanDerWaalsContact O-CB 3.26Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 3.27Å; L48-I153 HydrophobicContact CB-CD1 3.62Å; L48-I153 HydrophobicContact CB-CG1 3.64Å; L48-I153 HydrophobicContact CD1-CG1 4.45Å; L48-I153 WeakPolarHBondContact O-CD1 3.38Å; L48-W1014 HydrophobicContact CD2-CZ3 4.23Å |
| 49 | L | 77.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | trans | -71.4 | 128.2 | -177.9 | -59.2 | 176.8 | 0 | 0 | 0 | 110.2 | F47 I153 W450 T451 F453 W1014 | F47-L49 PolarHBondContact O-N 3.31Å; L49-I153 WeakPolarHBondContact O-CB 3.19Å; L49-I153 WeakPolarHBondContact O-CD1 3.43Å; L49-I153 VanDerWaalsContact O-CG1 3.27Å; L49-I153 WeakPolarHBondContact O-CG1 3.27Å; L49-W450 WeakPolarHBondContact CB-O 3.33Å; L49-T451 HydrophobicContact CD1-CG2 3.98Å; L49-F453 HydrophobicContact CD2-CD1 4.07Å; L49-F453 HydrophobicContact CD2-CE1 3.94Å; L49-F453 HydrophobicContact CD2-CZ 4.32Å; L49-F453 HydrophobicContact CG-CE1 4.46Å; L49-W1014 HydrophobicContact CD1-CH2 4.2Å; L49-W1014 HydrophobicContact CD1-CZ2 3.5Å; L49-W1014 VanDerWaalsContact CD1-CZ2 3.5Å; L49-W1014 HydrophobicContact CG-CH2 3.94Å; L49-W1014 HydrophobicContact CG-CZ2 3.68Å | ||
| 50 | N | 71.5 | Confident | 83.3 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | trans | -119.2 | 143.9 | 177.5 | -161.8 | 12.6 | 0 | 0 | 0 | 110.8 | I153 | N50-I153 HydrophobicContact CB-CD1 3.76Š| ||
| 51 | R | 77.5 | Confident | 81.1 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | trans | -117.9 | 132.8 | 172.3 | 176 | -177.5 | 74 | 150.4 | 27.9 | 109.8 | E53 S148 M149 T151 D154 E166 W450 | R51-E53 IonicContact NH2-OE1 3.04Å; R51-S148 PolarHBondContact NH1-OG 3.01Å; R51-M149 PolarHBondContact NH1-O 2.91Å; R51-T151 HydrophobicContact CB-CG2 3.57Å; R51-D154 IonicContact NE-OD2 3.59Å; R51-E166 IonicContact CZ-OE2 3.92Å; R51-E166 IonicContact NH2-OE1 3.41Å; R51-E166 IonicContact NH2-OE2 3.2Å; R51-E166 PolarHBondContact NH2-OE2 3.21Å; R51-W450 HydrophobicContact CB-CD2 4.43Å; R51-W450 HydrophobicContact CB-CG 4.43Å; R51-W450 HydrophobicContact CG-CD2 3.93Å; R51-W450 HydrophobicContact CG-CE3 4.41Å; R51-W450 HydrophobicContact CG-CG 4.36Å; R51-W450 HydrophobicContact CG-CH2 4.23Å; R51-W450 HydrophobicContact CG-CZ2 3.73Å | ||
| 52 | T | 79.2 | Confident | 79.3 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | trans | -83.2 | 122.2 | 171.1 | -48.3 | 0 | 0 | 0 | 0 | 109.5 | I402 | T52-I402 HydrophobicContact CG2-CD1 4.04Å; T52-I402 HydrophobicContact CG2-CG2 4.17Å | ||
| 53 | E | 81.7 | Confident | 77.5 | Confident | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | trans | -80.9 | 140.3 | 176.4 | -63.8 | -179.1 | -179.8 | 0 | 0 | 111.2 | R51 Y55 K142 E166 | R51-E53 IonicContact NH2-OE1 3.04Å; E53-Y55 HydrophobicContact CB-CD1 4.47Å; E53-Y55 HydrophobicContact CB-CE1 3.8Å; E53-K142 IonicContact OE1-NZ 3.61Å; E53-K142 PolarHBondContact OE1-NZ 3.18Å; E53-E166 HydrophobicContact CB-CG 3.91Å; E53-E166 HydrophobicContact CG-CG 4.13Å | ||
| 54 | L | 86.4 | Confident | 75.1 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | trans | -105.4 | 129.8 | 170.9 | -67.7 | -178 | 0 | 0 | 0 | 109 | N56 Y363 Y394 N397 Y398 I402 | L54-N56 VanDerWaalsContact C-N 3.32Å; L54-Y363 HydrophobicContact CB-CE1 4.45Å; L54-Y363 HydrophobicContact CD1-CE1 4.23Å; L54-Y394 HydrophobicContact CB-CE2 4.26Å; L54-Y394 HydrophobicContact CD1-CD2 4.02Å; L54-Y394 HydrophobicContact CD1-CE2 3.68Å; L54-Y394 HydrophobicContact CG-CE2 4.23Å; L54-N397 HydrophobicContact CD1-CB 4.42Å; L54-Y398 HydrophobicContact CD1-CD2 4.14Å; L54-I402 HydrophobicContact CD2-CD1 3.83Å; L54-I402 HydrophobicContact CD2-CG1 3.77Å | ||
| 55 | Y | 87.8 | Confident | 73 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | trans | -95.2 | 9.5 | -179.4 | -45.8 | -44.8 | 0 | 0 | 0 | 112.9 | E53 L165 | E53-Y55 HydrophobicContact CB-CD1 4.47Å; E53-Y55 HydrophobicContact CB-CE1 3.8Å; Y55-L165 HydrophobicContact CD1-CB 3.55Å; Y55-L165 HydrophobicContact CE1-CB 3.66Å; Y55-L165 HydrophobicContact CE1-CD1 4.1Å; Y55-L165 HydrophobicContact CG-CB 4.27Å | ||
| 56 | N | 89.5 | Confident | 71.3 | Confident | 77 Ų | 77 | 63 Ų | 63 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | trans | -64.4 | 147.6 | 171.2 | -67.7 | 87 | 0 | 0 | 0 | 109.7 | L54 D167 Y363 N397 | L54-N56 VanDerWaalsContact C-N 3.32Å; N56-D167 WeakPolarHBondContact O-CB 3.49Å; N56-Y363 HydrophobicContact CB-CD1 3.51Å; N56-Y363 HydrophobicContact CB-CD2 4.41Å; N56-Y363 HydrophobicContact CB-CE1 3.42Å; N56-Y363 VanDerWaalsContact CB-CE1 3.42Å; N56-Y363 HydrophobicContact CB-CE2 4.35Å; N56-Y363 HydrophobicContact CB-CG 4.02Å; N56-Y363 WeakPolarHBondContact O-CB 3.31Å; N56-Y363 WeakPolarHBondContact O-CD1 3.38Å; N56-N397 PolarHBondContact OD1-ND2 2.83Å | ||
| 57 | E | 86.7 | Confident | 69.4 | Low | 83 Ų | 83 | 71.6 Ų | 71.6 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | trans | -116.1 | 155.6 | 176.7 | -57.2 | 179 | 144.5 | 0 | 0 | 109.7 | N59 D167 K175 | E57-N59 PolarHBondContact O-N 3.42Å; E57-N59 VanDerWaalsContact O-N 3.1Å; E57-D167 WeakPolarHBondContact CA-OD2 3.4Å; E57-D167 HydrophobicContact CB-CB 4.31Å; E57-D167 HydrophobicContact CG-CB 4.12Å; E57-K175 IonicContact OE1-NZ 3.25Å; E57-K175 PolarHBondContact OE1-NZ 3.43Å; E57-K175 IonicContact OE2-NZ 2.81Å; E57-K175 PolarHBondContact OE2-NZ 2.77Å | ||
| 58 | T | 82.5 | Confident | 67.4 | Low | 11 Ų | 11 | 77.9 Ų | 77.9 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | trans | -65.8 | 115.7 | -179.7 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | L62 D167 P360 I361 Y363 | T58-L62 HydrophobicContact CG2-CB 3.94Å; T58-L62 HydrophobicContact CG2-CD2 4.09Å; T58-L62 HydrophobicContact CG2-CG 4.46Å; T58-D167 PolarHBondContact N-OD2 3.26Å; T58-P360 HydrophobicContact CG2-CB 3.83Å; T58-I361 WeakPolarHBondContact CB-O 3.29Å; T58-I361 PolarHBondContact OG1-O 3.35Å; T58-Y363 VanDerWaalsContact OG1-CA 3.25Å; T58-Y363 WeakPolarHBondContact OG1-CA 3.5Å; T58-Y363 PolarHBondContact OG1-N 3.26Å; T58-Y363 VanDerWaalsContact OG1-N 3.09Å | ||
| 59 | N | 63.3 | Low | 65.6 | Low | 118 Ų | 118 | 79 Ų | 79 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | trans | -64.6 | 154.3 | -175.1 | -84 | -26.7 | 0 | 0 | 0 | 113.5 | E57 K61 L62 K63 | E57-N59 PolarHBondContact O-N 3.42Å; E57-N59 VanDerWaalsContact O-N 3.1Å; N59-K61 PolarHBondContact O-N 2.87Å; N59-K61 VanDerWaalsContact O-N 3.17Å; N59-L62 WeakPolarHBondContact O-CB 3.45Å; N59-L62 PolarHBondContact O-N 3.45Å; N59-K63 PolarHBondContact O-N 3.14Å | ||
| 60 | E | 51.7 | Low | 64 | Low | 129 Ų | 129 | 85.7 Ų | 85.7 | 60% | 0.603 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.3 | -20.5 | 171.2 | -58.5 | -149 | 131.7 | 0 | 0 | 114.1 | L62 K63 L64 | E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 2.98Å; E60-K63 HydrophobicContact CB-CB 4.47Å; E60-K63 HydrophobicContact CB-CD 4.07Å; E60-K63 HydrophobicContact CB-CG 4.46Å; E60-K63 HydrophobicContact CG-CD 3.82Å; E60-K63 CarbonylContact O-C 3.6Å; E60-K63 VanDerWaalsContact O-CA 3.27Å; E60-K63 WeakPolarHBondContact O-CA 3.34Å; E60-K63 WeakPolarHBondContact O-CB 3.39Å; E60-K63 PolarHBondContact O-N 3.24Å; E60-K63 IonicContact OE1-NZ 3.5Å; E60-K63 PolarHBondContact OE1-NZ 2.95Å; E60-L64 PolarHBondContact O-N 2.81Å |
| 61 | K | 49.4 | Very low | 62.9 | Low | 171 Ų | 171 | 85.3 Ų | 85.3 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.4 | -35 | 171.6 | -85.1 | -173.7 | 175.2 | -178.1 | 0 | 112.3 | N59 K63 L64 | N59-K61 PolarHBondContact O-N 2.87Å; N59-K61 VanDerWaalsContact O-N 3.17Å; K61-K63 VanDerWaalsContact C-N 3.33Å; K61-L64 PolarHBondContact O-N 2.78Å |
| 62 | L | 56 | Low | 61.6 | Low | 25 Ų | 25 | 85.7 Ų | 85.7 | 13% | 0.131 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -69.9 | -32.2 | 168.7 | -108.7 | 99.9 | 0 | 0 | 0 | 111.2 | T58 N59 E60 L64 S65 I389 Q390 | T58-L62 HydrophobicContact CG2-CB 3.94Å; T58-L62 HydrophobicContact CG2-CD2 4.09Å; T58-L62 HydrophobicContact CG2-CG 4.46Å; N59-L62 WeakPolarHBondContact O-CB 3.45Å; N59-L62 PolarHBondContact O-N 3.45Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 2.98Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 2.91Å; L62-S65 PolarHBondContact O-OG 2.82Å; L62-I389 HydrophobicContact CD1-CG2 3.82Å; L62-I389 HydrophobicContact CD2-CB 4.34Å; L62-I389 HydrophobicContact CD2-CG2 3.88Å; L62-I389 HydrophobicContact CG-CG2 3.88Å; L62-Q390 HydrophobicContact CD2-CB 4.34Å |
| 63 | K | 52.1 | Low | 60.4 | Low | 70 Ų | 70 | 84 Ų | 84 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -33 | 170.7 | -58.8 | 178.6 | -169.9 | 176.2 | 0 | 112 | N59 E60 K61 L66 P360 | N59-K63 PolarHBondContact O-N 3.14Å; E60-K63 HydrophobicContact CB-CB 4.47Å; E60-K63 HydrophobicContact CB-CD 4.07Å; E60-K63 HydrophobicContact CB-CG 4.46Å; E60-K63 HydrophobicContact CG-CD 3.82Å; E60-K63 CarbonylContact O-C 3.6Å; E60-K63 VanDerWaalsContact O-CA 3.27Å; E60-K63 WeakPolarHBondContact O-CA 3.34Å; E60-K63 WeakPolarHBondContact O-CB 3.39Å; E60-K63 PolarHBondContact O-N 3.24Å; E60-K63 IonicContact OE1-NZ 3.5Å; E60-K63 PolarHBondContact OE1-NZ 2.95Å; K61-K63 VanDerWaalsContact C-N 3.33Å; K63-L66 HydrophobicContact CB-CD1 4.35Å; K63-L66 WeakPolarHBondContact O-CB 3.36Å; K63-L66 VanDerWaalsContact O-CD1 3.29Å; K63-L66 WeakPolarHBondContact O-CD1 3.15Å; K63-L66 WeakPolarHBondContact O-CG 3.29Å; K63-L66 PolarHBondContact O-N 2.91Å; K63-P360 HydrophobicContact CD-CG 4.4Å; K63-P360 HydrophobicContact CG-CG 3.82Å |
| 64 | L | 44.4 | Very low | 59.3 | Low | 123 Ų | 123 | 85.2 Ų | 85.2 | 64% | 0.644 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -76.7 | -18.4 | -176.2 | -84.5 | 160.9 | 0 | 0 | 0 | 114.3 | E60 K61 L62 L66 | E60-L64 PolarHBondContact O-N 2.81Å; K61-L64 PolarHBondContact O-N 2.78Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 2.91Å; L64-L66 PolarHBondContact O-N 2.9Å |
| 65 | S | 46.5 | Very low | 58 | Low | 40 Ų | 40 | 91.5 Ų | 91.5 | 28% | 0.28 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -8.7 | 168.1 | 81.5 | 0 | 0 | 0 | 0 | 112.2 | L62 K67 | L62-S65 PolarHBondContact O-OG 2.82Å; S65-K67 PolarHBondContact O-N 2.84Å; S65-K67 VanDerWaalsContact O-N 3.1Å |
| 66 | L | 51.3 | Low | 57.4 | Low | 58 Ų | 58 | 86 Ų | 86 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | trans | -80.9 | 37.5 | 175.4 | -52.3 | 166.9 | 0 | 0 | 0 | 113.3 | K63 L64 N68 P69 L386 | K63-L66 HydrophobicContact CB-CD1 4.35Å; K63-L66 WeakPolarHBondContact O-CB 3.36Å; K63-L66 VanDerWaalsContact O-CD1 3.29Å; K63-L66 WeakPolarHBondContact O-CD1 3.15Å; K63-L66 WeakPolarHBondContact O-CG 3.29Å; K63-L66 PolarHBondContact O-N 2.91Å; L64-L66 PolarHBondContact O-N 2.9Å; L66-N68 PolarHBondContact O-N 2.96Å; L66-P69 WeakPolarHBondContact O-CD 3.07Å; L66-L386 HydrophobicContact CD2-CD1 3.8Å; L66-L386 HydrophobicContact CD2-CD2 4.28Å | ||
| 67 | K | 47.4 | Very low | 57.5 | Low | 184 Ų | 184 | 83.9 Ų | 83.9 | 80% | 0.8 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -61.1 | -13.6 | 176.9 | -92.8 | -172 | 177.6 | -179.3 | 0 | 113.8 | S65 P69 | S65-K67 PolarHBondContact O-N 2.84Å; S65-K67 VanDerWaalsContact O-N 3.1Å; K67-P69 WeakPolarHBondContact O-CD 3.27Å |
| 68 | N | 47.3 | Very low | 57.8 | Low | 134 Ų | 134 | 80.3 Ų | 80.3 | 72% | 0.717 | 42% | 0.415 | S | S | * | . | trans | -119.8 | 80.2 | 171.3 | -73.2 | -25.9 | 0 | 0 | 0 | 111.4 | L66 L70 | L66-N68 PolarHBondContact O-N 2.96Å; N68-L70 PolarHBondContact O-N 2.83Å | ||
| 69 | P | 47.5 | Very low | 58.5 | Low | 68 Ų | 68 | 79.8 Ų | 79.8 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | trans | -74.4 | 0.4 | 173.8 | 29.5 | -31.3 | 0 | 0 | 0 | 113.3 | L66 K67 T71 | L66-P69 WeakPolarHBondContact O-CD 3.07Å; K67-P69 WeakPolarHBondContact O-CD 3.27Å; P69-T71 PolarHBondContact O-N 2.89Å | ||
| 70 | L | 45 | Very low | 60.1 | Low | 155 Ų | 155 | 74.4 Ų | 74.4 | 81% | 0.812 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -2.2 | -162.1 | -87.2 | 160 | 0 | 0 | 0 | 116.7 | N68 | N68-L70 PolarHBondContact O-N 2.83Š|
| 71 | T | 47.4 | Very low | 62.3 | Low | 80 Ų | 80 | 68.2 Ų | 68.2 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.4 | 3.3 | -177.6 | 51 | 0 | 0 | 0 | 0 | 115.8 | P69 | P69-T71 PolarHBondContact O-N 2.89Š|
| 72 | V | 50 | Low | 64.7 | Low | 18 Ų | 18 | 60.3 Ų | 60.3 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -29.3 | -173.9 | 178.5 | 0 | 0 | 0 | 0 | 112.9 | L355 N379 | V72-L355 HydrophobicContact CG1-CD1 3.15Å; V72-L355 HydrophobicContact CG1-CD2 4.23Å; V72-L355 HydrophobicContact CG1-CG 3.41Å; V72-L355 VanDerWaalsContact CG1-CG 3.41Å; V72-N379 HydrophobicContact CG2-CB 3.99Å |
| 73 | A | 55.1 | Low | 66.7 | Low | 30 Ų | 30 | 59.1 Ų | 59.1 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | trans | -106.4 | 116.1 | -164 | 0 | 0 | 0 | 0 | 0 | 113 | N75 N358 | A73-N75 PolarHBondContact O-N 2.83Å; A73-N358 HydrophobicContact CB-CB 3.57Å | ||
| 74 | R | 58.6 | Low | 68.8 | Low | 66 Ų | 66 | 56 Ų | 56 | 25% | 0.249 | 30% | 0.3 | C | S | . | . | trans | -77.6 | 107.8 | 160.8 | -161 | 178.4 | -179.5 | -169.8 | -2.9 | 106.5 | G76 S290 S329 | R74-G76 PolarHBondContact O-N 3.45Å; R74-S290 PolarHBondContact NH2-O 2.82Å; R74-S329 PolarHBondContact NH1-OG 3.37Å; R74-S329 PolarHBondContact NH2-OG 2.74Å | ||
| 75 | N | 59.2 | Low | 71.3 | Confident | 145 Ų | 145 | 50.1 Ų | 50.1 | 78% | 0.775 | 27% | 0.27 | S | S | * | . | trans | -69.8 | 27.3 | 178.9 | -75.1 | -18.4 | 0 | 0 | 0 | 113.9 | A73 | A73-N75 PolarHBondContact O-N 2.83Š| ||
| 76 | G | 75.4 | Confident | 73.7 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | trans | -78.2 | 163.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R74 S291 | R74-G76 PolarHBondContact O-N 3.45Å; G76-S291 WeakPolarHBondContact CA-O 3.47Å | ||
| 77 | R | 90.6 | Very high | 75.7 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | trans | -78.8 | 144.1 | 171.9 | -51.2 | 178.7 | -66 | 177.4 | 3.3 | 109.7 | W246 D247 D292 I293 | R77-W246 HydrophobicContact CB-CE3 4.16Å; R77-W246 HydrophobicContact CB-CH2 3.92Å; R77-W246 HydrophobicContact CB-CZ3 3.53Å; R77-W246 HydrophobicContact CG-CE3 4.48Å; R77-W246 HydrophobicContact CG-CH2 4.47Å; R77-W246 HydrophobicContact CG-CZ3 4.21Å; R77-D247 VanDerWaalsContact CA-O 3.31Å; R77-D247 WeakPolarHBondContact CA-O 3.33Å; R77-D292 WeakPolarHBondContact CB-OD1 3.3Å; R77-D292 IonicContact CZ-OD1 3.92Å; R77-D292 IonicContact CZ-OD2 3.57Å; R77-D292 IonicContact NE-OD1 3.72Å; R77-D292 PolarHBondContact NE-OD1 3.3Å; R77-D292 IonicContact NE-OD2 3.69Å; R77-D292 PolarHBondContact NE-OD2 3.13Å; R77-D292 IonicContact NH2-OD1 2.78Å; R77-D292 IonicContact NH2-OD2 2.59Å; R77-D292 PolarHBondContact NH2-OD2 3.36Å; R77-D292 WeakPolarHBondContact O-CA 3.38Å; R77-I293 PolarHBondContact O-N 3.01Å; R77-I293 VanDerWaalsContact O-N 3.13Å | ||
| 78 | I | 93.3 | Very high | 77.8 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.9 | 174.5 | -62.8 | -168.2 | 0 | 0 | 0 | 109.3 | L80 D247 I248 L249 F295 L353 L356 T357 | I78-L80 HydrophobicContact CG2-CD2 3.66Å; I78-L80 HydrophobicContact CG2-CG 3.95Å; I78-D247 PolarHBondContact N-O 3.19Å; I78-I248 WeakPolarHBondContact O-CA 3.41Å; I78-L249 PolarHBondContact O-N 3.47Å; I78-F295 HydrophobicContact CG2-CD2 3.9Å; I78-F295 HydrophobicContact CG2-CE2 3.98Å; I78-L353 HydrophobicContact CD1-CD2 4.07Å; I78-L356 HydrophobicContact CD1-CB 4.27Å; I78-T357 HydrophobicContact CD1-CG2 3.28Å; I78-T357 HydrophobicContact CG1-CG2 4.19Å |
| 79 | I | 96.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.8 | 173.1 | -55 | 163.8 | 0 | 0 | 0 | 107.5 | F221 L225 W246 L249 I284 L288 I293 L294 F295 | I79-F221 HydrophobicContact CG2-CD1 4.33Å; I79-F221 HydrophobicContact CG2-CE1 3.51Å; I79-F221 HydrophobicContact CG2-CZ 4.15Å; I79-L225 HydrophobicContact CD1-CD2 3.92Å; I79-W246 HydrophobicContact CD1-CH2 4.03Å; I79-W246 HydrophobicContact CG1-CH2 3.63Å; I79-W246 HydrophobicContact CG1-CZ3 3.96Å; I79-L249 CarbonylContact C-O 3.59Å; I79-L249 WeakPolarHBondContact CA-O 3.49Å; I79-L249 HydrophobicContact CG1-CB 4.44Å; I79-L249 HydrophobicContact CG2-CD2 4.39Å; I79-I284 HydrophobicContact CD1-CG2 4.36Å; I79-L288 HydrophobicContact CD1-CD2 3.49Å; I79-L288 VanDerWaalsContact CD1-CD2 3.49Å; I79-I293 PolarHBondContact N-O 2.9Å; I79-L294 HydrophobicContact CB-CB 4.46Å; I79-L294 HydrophobicContact CB-CD1 3.87Å; I79-L294 HydrophobicContact CG2-CD1 3.57Å; I79-L294 WeakPolarHBondContact O-CA 3.37Å; I79-F295 PolarHBondContact O-N 2.96Å |
| 80 | L | 97.7 | Very high | 81.5 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 109.8 | 175.7 | -57.9 | -177.7 | 0 | 0 | 0 | 108.4 | I78 W173 L249 I250 G251 F295 L353 | I78-L80 HydrophobicContact CG2-CD2 3.66Å; I78-L80 HydrophobicContact CG2-CG 3.95Å; L80-W173 HydrophobicContact CD1-CH2 4.01Å; L80-W173 HydrophobicContact CD1-CZ3 4.48Å; L80-L249 PolarHBondContact N-O 2.99Å; L80-I250 HydrophobicContact CB-CG1 4.27Å; L80-I250 HydrophobicContact CB-CG2 4.4Å; L80-I250 HydrophobicContact CD1-CD1 4.28Å; L80-I250 HydrophobicContact CD1-CG1 4.24Å; L80-I250 CarbonylContact O-C 3.5Å; L80-I250 VanDerWaalsContact O-CA 3.31Å; L80-I250 WeakPolarHBondContact O-CA 3.42Å; L80-G251 PolarHBondContact O-N 3.2Å; L80-F295 HydrophobicContact CD2-CB 3.74Å; L80-F295 HydrophobicContact CD2-CD2 3.67Å; L80-F295 HydrophobicContact CD2-CG 3.98Å; L80-L353 HydrophobicContact CD1-CD1 4.39Å; L80-L353 HydrophobicContact CD2-CD1 4.41Å |
| 81 | L | 98.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 98.5 | 170.6 | -175.4 | 63.8 | 0 | 0 | 0 | 108.6 | V83 V217 F221 G251 M253 L277 F280 I281 I284 L294 F295 I296 L297 | L81-V83 HydrophobicContact CD2-CG2 4.4Å; L81-V83 HydrophobicContact CG-CG2 4.07Å; L81-V217 HydrophobicContact CD1-CG1 4.1Å; L81-F221 HydrophobicContact CD1-CE1 4.27Å; L81-F221 HydrophobicContact CD1-CZ 4.27Å; L81-G251 CarbonylContact C-O 3.48Å; L81-M253 HydrophobicContact CD1-CG 3.96Å; L81-M253 HydrophobicContact CD1-SD 3.9Å; L81-M253 HydrophobicContact CD2-SD 4.34Å; L81-M253 HydrophobicContact CG-SD 4.47Å; L81-L277 HydrophobicContact CD2-CD1 4.2Å; L81-F280 HydrophobicContact CD1-CE1 3.97Å; L81-F280 HydrophobicContact CD2-CD1 4.16Å; L81-F280 HydrophobicContact CD2-CE1 4.02Å; L81-I281 HydrophobicContact CD2-CG1 4.5Å; L81-I284 HydrophobicContact CD2-CD1 4.02Å; L81-L294 HydrophobicContact CB-CD1 4.32Å; L81-F295 PolarHBondContact N-O 3.05Å; L81-I296 HydrophobicContact CB-CG1 4.18Å; L81-I296 HydrophobicContact CD2-CG1 4.31Å; L81-I296 VanDerWaalsContact O-CA 3.31Å; L81-I296 WeakPolarHBondContact O-CA 3.32Å; L81-L297 PolarHBondContact O-N 3.27Å |
| 82 | L | 98.6 | Very high | 84.4 | Confident | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127 | 170.9 | -167.8 | 66 | 0 | 0 | 0 | 108.5 | L141 L144 W188 G251 H252 M253 L297 D299 | L82-L141 HydrophobicContact CD2-CD2 3.28Å; L82-L144 HydrophobicContact CD1-CD1 4.13Å; L82-W188 HydrophobicContact CD2-CZ2 3.97Å; L82-G251 PolarHBondContact N-O 3.13Å; L82-H252 HydrophobicContact CB-CB 4.45Å; L82-H252 WeakPolarHBondContact CD2-NE2 3.33Å; L82-H252 CarbonylContact O-C 3.5Å; L82-H252 WeakPolarHBondContact O-CA 3.48Å; L82-M253 PolarHBondContact O-N 2.86Å; L82-L297 CarbonylContact C-O 3.57Å; L82-L297 WeakPolarHBondContact CA-O 3.41Å; L82-L297 HydrophobicContact CD1-CB 3.66Å; L82-D299 HydrophobicContact CD1-CB 3.95Å; L82-D299 HydrophobicContact CD2-CB 4.36Å; L82-D299 HydrophobicContact CG-CB 4.4Å |
| 83 | V | 98.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 107 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | L81 A85 L86 I256 L277 I296 L297 | L81-V83 HydrophobicContact CD2-CG2 4.4Å; L81-V83 HydrophobicContact CG-CG2 4.07Å; V83-A85 PolarHBondContact O-N 3.49Å; V83-L86 HydrophobicContact CB-CB 3.82Å; V83-L86 HydrophobicContact CB-CD2 3.96Å; V83-L86 HydrophobicContact CB-CG 4.43Å; V83-L86 HydrophobicContact CG1-CB 3.87Å; V83-L86 HydrophobicContact CG1-CD2 4.32Å; V83-L86 HydrophobicContact CG1-CG 4.46Å; V83-L86 HydrophobicContact CG2-CD2 4.26Å; V83-L86 VanDerWaalsContact O-CB 3.28Å; V83-L86 WeakPolarHBondContact O-CB 3.47Å; V83-L86 PolarHBondContact O-N 2.93Å; V83-L86 VanDerWaalsContact O-N 3.13Å; V83-I256 HydrophobicContact CG1-CB 4.35Å; V83-I256 HydrophobicContact CG1-CD1 3.62Å; V83-I256 HydrophobicContact CG1-CG1 4.12Å; V83-L277 HydrophobicContact CG1-CD2 3.93Å; V83-L277 HydrophobicContact CG2-CD1 3.87Å; V83-L277 HydrophobicContact CG2-CD2 4.21Å; V83-I296 HydrophobicContact CG2-CG2 4.18Å; V83-L297 PolarHBondContact N-O 2.77Å |
| 84 | D | 97.5 | Very high | 84.4 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 132.1 | -175.3 | -158 | -34.6 | 0 | 0 | 0 | 110.5 | L86 T137 H252 M253 L254 D257 D299 H300 | D84-L86 PolarHBondContact O-N 3.31Å; D84-T137 VanDerWaalsContact OD2-CG2 3.3Å; D84-T137 WeakPolarHBondContact OD2-CG2 3.31Å; D84-T137 PolarHBondContact OD2-OG1 2.93Å; D84-H252 IonicContact OD2-CE1 2.88Å; D84-H252 IonicContact OD2-NE2 2.77Å; D84-M253 VanDerWaalsContact CB-O 3.29Å; D84-M253 WeakPolarHBondContact CB-O 3.44Å; D84-M253 PolarHBondContact N-O 3.35Å; D84-L254 HydrophobicContact CB-CD2 3.8Å; D84-L254 WeakPolarHBondContact OD2-CD2 3.13Å; D84-D257 HydrophobicContact CB-CB 3.78Å; D84-D257 PolarHBondContact O-N 3.21Å; D84-D257 WeakPolarHBondContact OD1-CB 3.35Å; D84-D299 WeakPolarHBondContact CA-OD1 3.49Å; D84-H300 IonicContact OD1-CE1 3.93Å; D84-H300 PolarHBondContact OD1-CE1 3.09Å; D84-H300 IonicContact OD1-NE2 3.65Å; D84-H300 PolarHBondContact OD1-NE2 2.95Å |
| 85 | A | 96.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 23 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | V83 G87 D257 D299 H300 M302 | V83-A85 PolarHBondContact O-N 3.49Å; A85-G87 VanDerWaalsContact C-N 3.28Å; A85-G87 PolarHBondContact O-N 3.49Å; A85-D257 HydrophobicContact CB-CB 3.6Å; A85-D257 WeakPolarHBondContact CB-OD1 3.3Å; A85-D299 PolarHBondContact N-OD1 3.36Å; A85-H300 CarbonylContact C-O 3.58Å; A85-H300 WeakPolarHBondContact CA-O 3.4Å; A85-M302 HydrophobicContact CB-CE 3.27Å |
| 86 | L | 96.3 | Very high | 82.8 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | trans | -70.8 | 83.4 | 172.6 | -174.2 | 67.7 | 0 | 0 | 0 | 111.1 | V83 D84 I91 I256 L274 L277 I296 H300 A319 | V83-L86 HydrophobicContact CB-CB 3.82Å; V83-L86 HydrophobicContact CB-CD2 3.96Å; V83-L86 HydrophobicContact CB-CG 4.43Å; V83-L86 HydrophobicContact CG1-CB 3.87Å; V83-L86 HydrophobicContact CG1-CD2 4.32Å; V83-L86 HydrophobicContact CG1-CG 4.46Å; V83-L86 HydrophobicContact CG2-CD2 4.26Å; V83-L86 VanDerWaalsContact O-CB 3.28Å; V83-L86 WeakPolarHBondContact O-CB 3.47Å; V83-L86 PolarHBondContact O-N 2.93Å; V83-L86 VanDerWaalsContact O-N 3.13Å; D84-L86 PolarHBondContact O-N 3.31Å; L86-I91 HydrophobicContact CD1-CG2 4.2Å; L86-I256 HydrophobicContact CD1-CD1 3.75Å; L86-L274 HydrophobicContact CD1-CD2 4.47Å; L86-L277 HydrophobicContact CD1-CD2 4.18Å; L86-L277 HydrophobicContact CD2-CD2 4.42Å; L86-I296 HydrophobicContact CD2-CG2 4.02Å; L86-H300 CarbonylContact C-O 3.27Å; L86-H300 PolarHBondContact N-O 3.04Å; L86-A319 HydrophobicContact CD2-CB 3.99Å; L86-A319 HydrophobicContact CG-CB 3.86Å; L86-A319 WeakPolarHBondContact O-CB 3.4Å; L86-A319 PolarHBondContact O-N 3Å | ||
| 87 | G | 93.2 | Very high | 80.8 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 144 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A85 A89 L90 | A85-G87 VanDerWaalsContact C-N 3.28Å; A85-G87 PolarHBondContact O-N 3.49Å; G87-A89 PolarHBondContact O-N 3.36Å; G87-A89 VanDerWaalsContact O-N 3.16Å; G87-L90 WeakPolarHBondContact O-CB 3.36Å; G87-L90 PolarHBondContact O-N 3.1Å |
| 88 | Y | 91 | Very high | 78.1 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.9 | -35 | 176.2 | -176.9 | -98.7 | 0 | 0 | 0 | 112.1 | L90 I91 Q92 I126 G127 K128 E317 | Y88-L90 PolarHBondContact O-N 3.17Å; Y88-I91 HydrophobicContact CD2-CD1 4.18Å; Y88-I91 HydrophobicContact CD2-CG1 4.42Å; Y88-I91 HydrophobicContact CE2-CD1 4.45Å; Y88-I91 WeakPolarHBondContact O-CG1 3.37Å; Y88-I91 PolarHBondContact O-N 3.31Å; Y88-Q92 PolarHBondContact O-N 2.71Å; Y88-I126 HydrophobicContact CE2-CG2 4.15Å; Y88-G127 WeakPolarHBondContact CD2-O 3.35Å; Y88-K128 HydrophobicContact CD1-CD 4.49Å; Y88-K128 HydrophobicContact CD1-CG 3.9Å; Y88-K128 HydrophobicContact CD2-CG 3.86Å; Y88-K128 HydrophobicContact CE1-CG 4.18Å; Y88-K128 HydrophobicContact CE2-CG 4.14Å; Y88-K128 HydrophobicContact CG-CG 3.74Å; Y88-E317 PolarHBondContact N-O 3.39Å |
| 89 | A | 86.7 | Confident | 75.1 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -29.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G87 I91 R114 | G87-A89 PolarHBondContact O-N 3.36Å; G87-A89 VanDerWaalsContact O-N 3.16Å; A89-I91 VanDerWaalsContact C-N 3.31Å; A89-I91 PolarHBondContact O-N 2.68Å; A89-R114 PolarHBondContact O-NH1 2.94Å; A89-R114 PolarHBondContact O-NH2 3.38Å |
| 90 | L | 85.9 | Confident | 72.1 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.1 | -23.4 | -178.3 | -66.5 | 175.4 | 0 | 0 | 0 | 113.2 | G87 Y88 I256 P265 L274 | G87-L90 WeakPolarHBondContact O-CB 3.36Å; G87-L90 PolarHBondContact O-N 3.1Å; Y88-L90 PolarHBondContact O-N 3.17Å; L90-I256 HydrophobicContact CD1-CG2 4.08Å; L90-P265 HydrophobicContact CD2-CB 4.41Å; L90-L274 HydrophobicContact CB-CD2 4.46Å |
| 91 | I | 81.4 | Confident | 69.1 | Low | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -102.7 | -7.2 | -178.1 | 62.7 | 162.2 | 0 | 0 | 0 | 113.6 | L86 Y88 A89 N93 L117 L120 I126 A319 I321 | L86-I91 HydrophobicContact CD1-CG2 4.2Å; Y88-I91 HydrophobicContact CD2-CD1 4.18Å; Y88-I91 HydrophobicContact CD2-CG1 4.42Å; Y88-I91 HydrophobicContact CE2-CD1 4.45Å; Y88-I91 WeakPolarHBondContact O-CG1 3.37Å; Y88-I91 PolarHBondContact O-N 3.31Å; A89-I91 VanDerWaalsContact C-N 3.31Å; A89-I91 PolarHBondContact O-N 2.68Å; I91-N93 PolarHBondContact O-N 3.25Å; I91-L117 HydrophobicContact CG2-CD1 4.49Å; I91-L120 HydrophobicContact CB-CD1 4.11Å; I91-I126 HydrophobicContact CD1-CG2 4.04Å; I91-A319 HydrophobicContact CD1-CB 3.68Å; I91-A319 HydrophobicContact CG1-CB 4.23Å; I91-I321 HydrophobicContact CD1-CD1 3.97Å; I91-I321 HydrophobicContact CD1-CG1 4.01Å |
| 92 | Q | 72.5 | Confident | 65.9 | Low | 42 Ų | 42 | 59.3 Ų | 59.3 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -70.5 | 129.9 | -178.6 | -167 | 175.7 | 15 | 0 | 0 | 111.4 | Y88 E96 N98 R114 | Y88-Q92 PolarHBondContact O-N 2.71Å; Q92-E96 PolarHBondContact NE2-OE2 3.31Å; Q92-N98 PolarHBondContact NE2-ND2 3.17Å; Q92-R114 PolarHBondContact O-NH1 3.21Å | ||
| 93 | N | 58.3 | Low | 62.7 | Low | 82 Ų | 82 | 65.7 Ų | 65.7 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | trans | -76.2 | 138.6 | 177.7 | -152.2 | 2.1 | 0 | 0 | 0 | 110.1 | I91 N95 | I91-N93 PolarHBondContact O-N 3.25Å; N93-N95 PolarHBondContact O-N 2.81Å | ||
| 94 | N | 47.5 | Very low | 59.6 | Low | 96 Ų | 96 | 72.6 Ų | 72.6 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -1.9 | -176.4 | -80.6 | -0.5 | 0 | 0 | 0 | 114.8 | E96 | N94-E96 PolarHBondContact O-N 3.08Š|
| 95 | N | 41.9 | Very low | 56.8 | Low | 137 Ų | 137 | 75.3 Ų | 75.3 | 73% | 0.733 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15 | -178.7 | -75.4 | -3.3 | 0 | 0 | 0 | 113.7 | N93 | N93-N95 PolarHBondContact O-N 2.81Š|
| 96 | E | 40.8 | Very low | 53.8 | Low | 61 Ų | 61 | 78.3 Ų | 78.3 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -83.5 | 115.3 | 168.3 | -68.3 | -176.2 | 175.5 | 0 | 0 | 108.7 | Q92 N94 N98 T340 | Q92-E96 PolarHBondContact NE2-OE2 3.31Å; N94-E96 PolarHBondContact O-N 3.08Å; E96-N98 PolarHBondContact O-N 3.02Å; E96-T340 WeakPolarHBondContact OE1-CG2 3.3Å; E96-T340 VanDerWaalsContact OE2-CG2 3.27Å; E96-T340 WeakPolarHBondContact OE2-CG2 3.34Å |
| 97 | N | 33.8 | Very low | 50.6 | Low | 159 Ų | 159 | 82.9 Ų | 82.9 | 85% | 0.85 | 44% | 0.441 | S | S | * | . | trans | -61.1 | 54.3 | 177.1 | -74.9 | -32.2 | 0 | 0 | 0 | 113.3 | Q99 | N97-Q99 PolarHBondContact O-N 2.78Š| ||
| 98 | N | 34 | Very low | 47.9 | Very low | 75 Ų | 75 | 90.4 Ų | 90.4 | 40% | 0.401 | 47% | 0.474 | S | S | . | . | trans | -80.9 | 95.5 | -178.7 | -81.3 | -28.8 | 0 | 0 | 0 | 110 | Q92 E96 F100 L101 | Q92-N98 PolarHBondContact NE2-ND2 3.17Å; E96-N98 PolarHBondContact O-N 3.02Å; N98-F100 PolarHBondContact O-N 3.31Å; N98-L101 PolarHBondContact O-N 3.22Å | ||
| 99 | Q | 30.7 | Very low | 45.5 | Very low | 181 Ų | 181 | 92.3 Ų | 92.3 | 85% | 0.846 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 1.6 | 159.1 | -72.3 | 178.9 | -28.6 | 0 | 0 | 113.9 | N97 | N97-Q99 PolarHBondContact O-N 2.78Š|
| 100 | F | 32.7 | Very low | 43.2 | Very low | 178 Ų | 178 | 94.1 Ų | 94.1 | 78% | 0.781 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.5 | -178.2 | -65.5 | -73 | 0 | 0 | 0 | 114.7 | N98 P102 | N98-F100 PolarHBondContact O-N 3.31Å; F100-P102 WeakPolarHBondContact O-CD 3.35Å |
| 101 | L | 34.4 | Very low | 40.8 | Very low | 67 Ų | 67 | 100 Ų | 100 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -87.6 | 94.8 | 152.8 | -85.6 | 150.8 | 0 | 0 | 0 | 106.7 | N98 D103 I105 | N98-L101 PolarHBondContact O-N 3.22Å; L101-D103 PolarHBondContact O-N 3.05Å; L101-I105 HydrophobicContact CD2-CD1 3.8Å |
| 102 | P | 31.9 | Very low | 38.9 | Very low | 50 Ų | 50 | 104.1 Ų | 104.1 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | trans | -60.7 | 138.2 | -172.3 | 26.9 | -35.2 | 0 | 0 | 0 | 110.3 | F100 H104 | F100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-H104 PolarHBondContact O-N 3.06Å | ||
| 103 | D | 31.8 | Very low | 37.5 | Very low | 138 Ų | 138 | 106 Ų | 106 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 18 | -168.9 | -64.4 | -45.3 | 0 | 0 | 0 | 118.9 | L101 | L101-D103 PolarHBondContact O-N 3.05Š|
| 104 | H | 33.7 | Very low | 36.9 | Very low | 146 Ų | 146 | 105.7 Ų | 105.7 | 68% | 0.676 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -2.1 | 179.2 | -67.2 | -41.6 | 0 | 0 | 0 | 114.6 | P102 S106 | P102-H104 PolarHBondContact O-N 3.06Å; H104-S106 PolarHBondContact O-N 3.3Å; H104-S106 VanDerWaalsContact O-N 3.12Å |
| 105 | I | 37.4 | Very low | 36.7 | Very low | 61 Ų | 61 | 102.2 Ų | 102.2 | 31% | 0.313 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -71.2 | 104 | 155.5 | -62.5 | 178.6 | 0 | 0 | 0 | 104.4 | L101 S109 Q110 | L101-I105 HydrophobicContact CD2-CD1 3.8Å; I105-S109 VanDerWaalsContact CG2-CB 3.49Å; I105-S109 WeakPolarHBondContact CG2-OG 3.42Å; I105-Q110 HydrophobicContact CG2-CG 4.02Å |
| 106 | S | 33.3 | Very low | 37 | Very low | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | trans | -41.7 | 141.1 | 177.4 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | H104 H108 S109 Q110 | H104-S106 PolarHBondContact O-N 3.3Å; H104-S106 VanDerWaalsContact O-N 3.12Å; S106-H108 PolarHBondContact O-N 2.88Å; S106-S109 PolarHBondContact N-OG 3.48Å; S106-S109 WeakPolarHBondContact O-CA 3.38Å; S106-S109 PolarHBondContact O-N 3.32Å; S106-S109 PolarHBondContact O-OG 2.96Å; S106-S109 PolarHBondContact OG-OG 3.34Å; S106-Q110 PolarHBondContact O-N 2.95Å | ||
| 107 | P | 30 | Very low | 37.7 | Very low | 99 Ų | 99 | 99.4 Ų | 99.4 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.8 | -19.3 | 179.2 | 15.4 | -27.1 | 0 | 0 | 0 | 112.7 | ||
| 108 | H | 35.4 | Very low | 38.8 | Very low | 162 Ų | 162 | 96.9 Ų | 96.9 | 75% | 0.75 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.5 | -22.4 | 170.9 | -80.5 | -37.8 | 0 | 0 | 0 | 115.6 | S106 | S106-H108 PolarHBondContact O-N 2.88Å |
| 109 | S | 41.2 | Very low | 40.2 | Very low | 52 Ų | 52 | 93.6 Ų | 93.6 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -90.6 | -21.5 | 171.8 | 34.4 | 0 | 0 | 0 | 0 | 113.7 | I105 S106 N111 | I105-S109 VanDerWaalsContact CG2-CB 3.49Å; I105-S109 WeakPolarHBondContact CG2-OG 3.42Å; S106-S109 PolarHBondContact N-OG 3.48Å; S106-S109 WeakPolarHBondContact O-CA 3.38Å; S106-S109 PolarHBondContact O-N 3.32Å; S106-S109 PolarHBondContact O-OG 2.96Å; S106-S109 PolarHBondContact OG-OG 3.34Å; S109-N111 VanDerWaalsContact C-N 3.32Å |
| 110 | Q | 38.4 | Very low | 42.2 | Very low | 94 Ų | 94 | 86.2 Ų | 86.2 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.1 | -30.6 | 173.7 | -76.1 | -165.9 | -7.3 | 0 | 0 | 112.7 | I105 S106 | I105-Q110 HydrophobicContact CG2-CG 4.02Å; S106-Q110 PolarHBondContact O-N 2.95Å |
| 111 | N | 35.4 | Very low | 44.1 | Very low | 141 Ų | 141 | 82.2 Ų | 82.2 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -87.9 | -6 | -177.7 | -80.9 | -7.7 | 0 | 0 | 0 | 114.8 | S109 S113 | S109-N111 VanDerWaalsContact C-N 3.32Å; N111-S113 PolarHBondContact O-N 2.95Å |
| 112 | Q | 41.5 | Very low | 46.1 | Very low | 103 Ų | 103 | 85.5 Ų | 85.5 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -82.1 | 75.4 | 169.2 | -75.8 | -176.2 | -7.1 | 0 | 0 | 108.7 | R114 | Q112-R114 PolarHBondContact O-N 3.24Š|
| 113 | S | 43.2 | Very low | 48.7 | Very low | 81 Ų | 81 | 83.8 Ų | 83.8 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | trans | 29.7 | 74 | 137.9 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | N111 | N111-S113 PolarHBondContact O-N 2.95Š| ||
| 114 | R | 46 | Very low | 51.2 | Low | 77 Ų | 77 | 77.7 Ų | 77.7 | 29% | 0.291 | 42% | 0.415 | S | S | . | . | trans | -48.2 | 136.3 | 153.7 | -93.9 | -179 | 174 | -178.9 | -7.7 | 106.6 | A89 Q92 Q112 Q116 | A89-R114 PolarHBondContact O-NH1 2.94Å; A89-R114 PolarHBondContact O-NH2 3.38Å; Q92-R114 PolarHBondContact O-NH1 3.21Å; Q112-R114 PolarHBondContact O-N 3.24Å; R114-Q116 PolarHBondContact O-N 3.14Å | ||
| 115 | P | 43.4 | Very low | 53.6 | Low | 22 Ų | 22 | 71.3 Ų | 71.3 | 14% | 0.143 | 39% | 0.385 | C | S | . | . | trans | -52.7 | 113.5 | 173.9 | 12.7 | -20.1 | 0 | 0 | 0 | 107.3 | L117 L274 N275 | P115-L117 HydrophobicContact CB-CD1 4.34Å; P115-L117 HydrophobicContact CG-CD1 4.37Å; P115-L117 PolarHBondContact O-N 3Å; P115-L274 HydrophobicContact CG-CB 3.68Å; P115-L274 HydrophobicContact CG-CD1 4.3Å; P115-N275 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 116 | Q | 48.6 | Very low | 56 | Low | 126 Ų | 126 | 69.6 Ų | 69.6 | 59% | 0.589 | 38% | 0.376 | S | S | * | . | trans | -61.5 | 97.2 | 154.3 | -86 | -178.1 | -21.3 | 0 | 0 | 103.1 | R114 N118 | R114-Q116 PolarHBondContact O-N 3.14Å; Q116-N118 PolarHBondContact O-N 3.06Å | ||
| 117 | L | 54.6 | Low | 58.7 | Low | 14 Ų | 14 | 66.7 Ų | 66.7 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | trans | -63.3 | 87.6 | 165.2 | -85.4 | 96.5 | 0 | 0 | 0 | 105 | I91 P115 S119 L120 N278 I281 | I91-L117 HydrophobicContact CG2-CD1 4.49Å; P115-L117 HydrophobicContact CB-CD1 4.34Å; P115-L117 HydrophobicContact CG-CD1 4.37Å; P115-L117 PolarHBondContact O-N 3Å; L117-S119 PolarHBondContact O-N 2.97Å; L117-S119 VanDerWaalsContact O-N 3.09Å; L117-L120 HydrophobicContact CB-CB 4.36Å; L117-L120 HydrophobicContact CB-CD1 3.63Å; L117-L120 HydrophobicContact CB-CG 3.56Å; L117-L120 HydrophobicContact CD1-CD1 4.47Å; L117-L120 HydrophobicContact CD2-CG 4.31Å; L117-L120 HydrophobicContact CG-CD1 4.44Å; L117-L120 HydrophobicContact CG-CG 4.48Å; L117-L120 VanDerWaalsContact O-CB 3.3Å; L117-L120 WeakPolarHBondContact O-CB 3.48Å; L117-L120 PolarHBondContact O-N 2.87Å; L117-N278 WeakPolarHBondContact CA-OD1 3.49Å; L117-N278 WeakPolarHBondContact CB-OD1 3.47Å; L117-N278 HydrophobicContact CD2-CB 4.17Å; L117-N278 HydrophobicContact CG-CB 3.94Å; L117-N278 VanDerWaalsContact CG-OD1 3.27Å; L117-N278 WeakPolarHBondContact CG-OD1 3.49Å; L117-I281 HydrophobicContact CD2-CD1 4.07Å | ||
| 118 | N | 57.4 | Low | 61.7 | Low | 105 Ų | 105 | 63.4 Ų | 63.4 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -55.2 | -29.2 | 177.1 | -74.9 | -28 | 0 | 0 | 0 | 109.8 | Q116 L120 S121 | Q116-N118 PolarHBondContact O-N 3.06Å; N118-L120 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 2.6Å; N118-S121 WeakPolarHBondContact O-CB 3.47Å; N118-S121 PolarHBondContact O-N 3.19Å; N118-S121 PolarHBondContact O-OG 2.7Å |
| 119 | S | 63.1 | Low | 64.6 | Low | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -52.9 | -37.1 | 169.8 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | L117 S121 K122 N278 F323 | L117-S119 PolarHBondContact O-N 2.97Å; L117-S119 VanDerWaalsContact O-N 3.09Å; S119-S121 PolarHBondContact O-N 3.25Å; S119-K122 WeakPolarHBondContact O-CB 3.22Å; S119-K122 PolarHBondContact O-N 2.96Å; S119-N278 PolarHBondContact OG-OD1 3.14Å; S119-F323 VanDerWaalsContact O-CE1 3.24Å; S119-F323 WeakPolarHBondContact O-CE1 3.49Å |
| 120 | L | 72.1 | Confident | 67.2 | Low | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -60.7 | -29.1 | -179.3 | -69.7 | 173.9 | 0 | 0 | 0 | 112.9 | I91 L117 N118 K122 A123 I126 I321 | I91-L120 HydrophobicContact CB-CD1 4.11Å; L117-L120 HydrophobicContact CB-CB 4.36Å; L117-L120 HydrophobicContact CB-CD1 3.63Å; L117-L120 HydrophobicContact CB-CG 3.56Å; L117-L120 HydrophobicContact CD1-CD1 4.47Å; L117-L120 HydrophobicContact CD2-CG 4.31Å; L117-L120 HydrophobicContact CG-CD1 4.44Å; L117-L120 HydrophobicContact CG-CG 4.48Å; L117-L120 VanDerWaalsContact O-CB 3.3Å; L117-L120 WeakPolarHBondContact O-CB 3.48Å; L117-L120 PolarHBondContact O-N 2.87Å; N118-L120 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 2.6Å; L120-K122 PolarHBondContact O-N 3.37Å; L120-A123 VanDerWaalsContact O-CB 3.28Å; L120-A123 WeakPolarHBondContact O-CB 3.47Å; L120-A123 PolarHBondContact O-N 2.86Å; L120-I126 HydrophobicContact CB-CD1 3.84Å; L120-I126 HydrophobicContact CD2-CD1 3.84Å; L120-I126 HydrophobicContact CD2-CG1 4.28Å; L120-I126 HydrophobicContact CG-CD1 4.31Å; L120-I321 HydrophobicContact CD2-CD1 3.58Å; L120-I321 HydrophobicContact CD2-CG1 4.01Å; L120-I321 HydrophobicContact CD2-CG2 4.05Å |
| 121 | S | 72.7 | Confident | 69.8 | Low | 94 Ų | 94 | 49.7 Ų | 49.7 | 66% | 0.657 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -61.6 | -23.9 | 174.4 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | N118 S119 | N118-S121 WeakPolarHBondContact O-CB 3.47Å; N118-S121 PolarHBondContact O-N 3.19Å; N118-S121 PolarHBondContact O-OG 2.7Å; S119-S121 PolarHBondContact O-N 3.25Å |
| 122 | K | 78 | Confident | 72.3 | Confident | 135 Ų | 135 | 44 Ų | 44 | 59% | 0.587 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -91.2 | -11.2 | 177.2 | -61.5 | -179.4 | -179.1 | 175.4 | 0 | 113 | S119 L120 F323 K327 | S119-K122 WeakPolarHBondContact O-CB 3.22Å; S119-K122 PolarHBondContact O-N 2.96Å; L120-K122 PolarHBondContact O-N 3.37Å; K122-F323 HydrophobicContact CB-CE1 4.22Å; K122-K327 WeakPolarHBondContact O-CE 3.35Å |
| 123 | A | 85.4 | Confident | 74.1 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | trans | -60.8 | 141.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L120 I126 I321 F323 | L120-A123 VanDerWaalsContact O-CB 3.28Å; L120-A123 WeakPolarHBondContact O-CB 3.47Å; L120-A123 PolarHBondContact O-N 2.86Å; A123-I126 HydrophobicContact CB-CD1 3.96Å; A123-I126 HydrophobicContact CB-CG1 3.74Å; A123-I321 HydrophobicContact CB-CG2 3.72Å; A123-F323 VanDerWaalsContact CA-CE1 3.47Å; A123-F323 HydrophobicContact CB-CD1 4.25Å; A123-F323 HydrophobicContact CB-CE1 3.77Å; A123-F323 HydrophobicContact CB-CE2 4.32Å; A123-F323 HydrophobicContact CB-CZ 3.81Å | ||
| 124 | A | 83.6 | Confident | 76 | Confident | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -77.6 | -35.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V322 T324 L330 I332 | A124-V322 PolarHBondContact N-O 3.17Å; A124-T324 HydrophobicContact CB-CG2 4.06Å; A124-L330 HydrophobicContact CB-CD1 3.79Å; A124-I332 HydrophobicContact CB-CD1 3.98Å; A124-I332 WeakPolarHBondContact O-CD1 3.36Å |
| 125 | Y | 86 | Confident | 78 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.1 | 178 | -176.4 | -80.8 | 0 | 0 | 0 | 110.6 | F320 I321 V322 Y370 L373 | Y125-F320 AromaticContact CD1-CD1 3.55Å; Y125-F320 HydrophobicContact CD1-CD1 3.55Å; Y125-F320 AromaticContact CD1-CE1 3.96Å; Y125-F320 HydrophobicContact CD1-CE1 3.96Å; Y125-F320 AromaticContact CE1-CD1 3.49Å; Y125-F320 HydrophobicContact CE1-CD1 3.49Å; Y125-F320 VanDerWaalsContact CE1-CD1 3.49Å; Y125-F320 HydrophobicContact CE1-CE1 4.07Å; Y125-I321 CarbonylContact O-C 3.19Å; Y125-I321 WeakPolarHBondContact O-CA 3.37Å; Y125-V322 HydrophobicContact CD1-CG2 4.45Å; Y125-V322 PolarHBondContact N-O 3.41Å; Y125-V322 PolarHBondContact O-N 3.42Å; Y125-Y370 HydrophobicContact CE2-CE1 4.18Å; Y125-Y370 PolarHBondContact OH-OH 3Å; Y125-Y370 VanDerWaalsContact OH-OH 3.08Å; Y125-L373 HydrophobicContact CG-CD2 4.41Å |
| 126 | I | 87.5 | Confident | 80 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.2 | 168.9 | -58.5 | 169 | 0 | 0 | 0 | 107 | Y88 I91 L120 A123 F320 I321 R342 | Y88-I126 HydrophobicContact CE2-CG2 4.15Å; I91-I126 HydrophobicContact CD1-CG2 4.04Å; L120-I126 HydrophobicContact CB-CD1 3.84Å; L120-I126 HydrophobicContact CD2-CD1 3.84Å; L120-I126 HydrophobicContact CD2-CG1 4.28Å; L120-I126 HydrophobicContact CG-CD1 4.31Å; A123-I126 HydrophobicContact CB-CD1 3.96Å; A123-I126 HydrophobicContact CB-CG1 3.74Å; I126-F320 CarbonylContact C-O 3.6Å; I126-F320 WeakPolarHBondContact CA-O 3.15Å; I126-I321 HydrophobicContact CG1-CG2 4.16Å; I126-R342 WeakPolarHBondContact O-CD 3.35Å |
| 127 | G | 89.4 | Confident | 82 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y88 F320 R342 | Y88-G127 WeakPolarHBondContact CD2-O 3.35Å; G127-F320 PolarHBondContact N-O 2.92Å; G127-F320 PolarHBondContact O-N 2.94Å; G127-R342 WeakPolarHBondContact CA-O 3.49Å |
| 128 | K | 93.3 | Very high | 83.5 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 13% | 0.13 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.6 | 175.8 | -60.5 | -178 | 175.8 | -160.7 | 0 | 110.1 | Y88 I130 E317 R342 R343 L344 | Y88-K128 HydrophobicContact CD1-CD 4.49Å; Y88-K128 HydrophobicContact CD1-CG 3.9Å; Y88-K128 HydrophobicContact CD2-CG 3.86Å; Y88-K128 HydrophobicContact CE1-CG 4.18Å; Y88-K128 HydrophobicContact CE2-CG 4.14Å; Y88-K128 HydrophobicContact CG-CG 3.74Å; K128-I130 HydrophobicContact CB-CD1 3.7Å; K128-E317 HydrophobicContact CD-CG 4.36Å; K128-E317 WeakPolarHBondContact CD-OE1 3.48Å; K128-E317 WeakPolarHBondContact CE-OE2 3.31Å; K128-E317 IonicContact NZ-OE1 3.72Å; K128-E317 PolarHBondContact NZ-OE1 3.35Å; K128-E317 IonicContact NZ-OE2 3.5Å; K128-E317 PolarHBondContact NZ-OE2 3.41Å; K128-R342 PolarHBondContact N-O 3.45Å; K128-R343 HydrophobicContact CB-CG 4.26Å; K128-R343 HydrophobicContact CD-CG 4.34Å; K128-R343 WeakPolarHBondContact O-CA 3.49Å; K128-L344 PolarHBondContact O-N 3.08Å |
| 129 | F | 95.6 | Very high | 85 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106 | 172.4 | -149.5 | -156 | 0 | 0 | 0 | 109.4 | A131 L144 L297 G298 A318 F320 L344 Q346 L349 | F129-A131 PolarHBondContact O-N 3.32Å; F129-L144 HydrophobicContact CE1-CD2 3.45Å; F129-L144 VanDerWaalsContact CE1-CD2 3.45Å; F129-L144 HydrophobicContact CZ-CD2 3.41Å; F129-L144 VanDerWaalsContact CZ-CD2 3.41Å; F129-L297 HydrophobicContact CD1-CB 4.41Å; F129-L297 HydrophobicContact CD1-CD2 4.43Å; F129-L297 HydrophobicContact CE1-CB 4.16Å; F129-L297 HydrophobicContact CE1-CD1 4.47Å; F129-L297 HydrophobicContact CE1-CD2 4.02Å; F129-L297 HydrophobicContact CE1-CG 4.46Å; F129-L297 HydrophobicContact CZ-CD2 4.42Å; F129-G298 VanDerWaalsContact CD1-O 3.26Å; F129-G298 WeakPolarHBondContact CD1-O 3.47Å; F129-A318 HydrophobicContact CB-CB 4.12Å; F129-A318 PolarHBondContact N-O 2.9Å; F129-A318 WeakPolarHBondContact O-CB 3.41Å; F129-A318 PolarHBondContact O-N 2.79Å; F129-F320 HydrophobicContact CB-CB 3.85Å; F129-F320 HydrophobicContact CD1-CD2 4.1Å; F129-F320 HydrophobicContact CD2-CB 4.36Å; F129-F320 AromaticContact CD2-CD2 3.75Å; F129-F320 HydrophobicContact CD2-CD2 3.75Å; F129-F320 HydrophobicContact CD2-CE2 4.42Å; F129-F320 HydrophobicContact CD2-CG 4.31Å; F129-F320 HydrophobicContact CE1-CD2 4.26Å; F129-F320 AromaticContact CE2-CD2 3.89Å; F129-F320 HydrophobicContact CE2-CD2 3.89Å; F129-F320 HydrophobicContact CE2-CE2 4.14Å; F129-F320 HydrophobicContact CG-CB 4.1Å; F129-F320 AromaticContact CG-CD2 3.89Å; F129-F320 HydrophobicContact CG-CD2 3.89Å; F129-F320 HydrophobicContact CG-CG 4.4Å; F129-F320 HydrophobicContact CZ-CD2 4.18Å; F129-F320 HydrophobicContact CZ-CE2 4.34Å; F129-L344 CarbonylContact C-O 3.54Å; F129-L344 WeakPolarHBondContact CA-O 3.31Å; F129-L344 HydrophobicContact CD2-CB 4.19Å; F129-L344 HydrophobicContact CD2-CD2 3.94Å; F129-L344 HydrophobicContact CD2-CG 4.01Å; F129-L344 HydrophobicContact CE2-CD2 3.73Å; F129-L344 HydrophobicContact CE2-CG 3.96Å; F129-Q346 HydrophobicContact CD1-CG 3.76Å; F129-Q346 HydrophobicContact CD2-CG 3.93Å; F129-Q346 HydrophobicContact CE1-CB 4.45Å; F129-Q346 HydrophobicContact CE1-CG 3.64Å; F129-Q346 VanDerWaalsContact CE2-CA 3.45Å; F129-Q346 HydrophobicContact CE2-CB 4.19Å; F129-Q346 HydrophobicContact CE2-CG 3.83Å; F129-Q346 HydrophobicContact CG-CG 3.88Å; F129-Q346 HydrophobicContact CZ-CB 4.03Å; F129-Q346 HydrophobicContact CZ-CG 3.65Å; F129-L349 HydrophobicContact CE1-CD2 4.46Å; F129-L349 HydrophobicContact CE2-CB 4.28Å; F129-L349 HydrophobicContact CE2-CD2 4.48Å; F129-L349 HydrophobicContact CZ-CB 4.1Å; F129-L349 HydrophobicContact CZ-CD2 3.7Å; F129-L349 HydrophobicContact CZ-CG 4.46Å |
| 130 | I | 95.8 | Very high | 86.4 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 109.4 | -170 | -50.5 | -51 | 0 | 0 | 0 | 109.3 | K128 E317 R343 L344 Q346 | K128-I130 HydrophobicContact CB-CD1 3.7Å; I130-E317 HydrophobicContact CD1-CG 4.24Å; I130-R343 HydrophobicContact CD1-CB 4.49Å; I130-R343 HydrophobicContact CD1-CG 4.36Å; I130-R343 VanDerWaalsContact CD1-CZ 3.45Å; I130-R343 VanDerWaalsContact CD1-NH2 3.28Å; I130-R343 HydrophobicContact CG1-CB 4.1Å; I130-R343 HydrophobicContact CG1-CG 4.46Å; I130-L344 PolarHBondContact N-O 2.98Å; I130-Q346 WeakPolarHBondContact O-CG 3.38Å; I130-Q346 PolarHBondContact O-N 3.11Å |
| 131 | A | 92.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 138.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F129 T135 L316 | F129-A131 PolarHBondContact O-N 3.32Å; A131-T135 HydrophobicContact CB-CG2 4.09Å; A131-L316 PolarHBondContact N-O 3.48Å; A131-L316 WeakPolarHBondContact O-CD2 3Å |
| 132 | D | 87.7 | Confident | 88.3 | Confident | 21 Ų | 21 | 20 Ų | 20 | 11% | 0.112 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -82.8 | 135.6 | 164.5 | -72.9 | -72.3 | 0 | 0 | 0 | 108.6 | R140 P150 R447 | D132-R140 PolarHBondContact O-NH1 2.87Å; D132-R140 VanDerWaalsContact O-NH1 3.08Å; D132-R140 PolarHBondContact O-NH2 2.7Å; D132-P150 HydrophobicContact CB-CG 4Å; D132-R447 IonicContact OD1-CZ 3.81Å; D132-R447 IonicContact OD1-NH1 3.02Å; D132-R447 PolarHBondContact OD1-NH1 3.01Å; D132-R447 IonicContact OD1-NH2 2.74Å; D132-R447 PolarHBondContact OD1-NH2 2.87Å; D132-R447 IonicContact OD2-NH2 3.92Å |
| 133 | P | 81.4 | Confident | 89 | Confident | 53 Ų | 53 | 13.6 Ų | 13.6 | 34% | 0.344 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -65.4 | 151.2 | 177.5 | 27.6 | -34.7 | 0 | 0 | 0 | 111.9 | P150 G310 D311 L316 | P133-P150 VanDerWaalsContact O-CG 3.27Å; P133-P150 WeakPolarHBondContact O-CG 3.5Å; P133-G310 WeakPolarHBondContact CB-O 3.45Å; P133-D311 HydrophobicContact CB-CB 3.93Å; P133-D311 HydrophobicContact CG-CB 4.07Å; P133-L316 HydrophobicContact CB-CD2 4.29Å |
| 134 | P | 82.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | cis | -80.5 | 144.4 | 1 | 31.2 | -33.9 | 0 | 0 | 0 | 113.3 | T136 Q139 R140 A155 G309 | P134-T136 PolarHBondContact O-N 2.88Å; P134-T136 VanDerWaalsContact O-N 3.08Å; P134-Q139 HydrophobicContact CG-CG 4.15Å; P134-R140 PolarHBondContact O-NE 3.07Å; P134-R140 PolarHBondContact O-NH2 3.24Å; P134-R140 VanDerWaalsContact O-NH2 3.09Å; P134-A155 HydrophobicContact CG-CB 3.85Å; P134-G309 WeakPolarHBondContact CB-O 3.22Å |
| 135 | T | 86.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -83.6 | 44.9 | -178.5 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | A131 H300 H308 G309 G310 E315 L316 | A131-T135 HydrophobicContact CB-CG2 4.09Å; T135-H300 HydrophobicContact CG2-CB 4.13Å; T135-H300 PolarHBondContact O-CD2 3.1Å; T135-H300 VanDerWaalsContact O-CD2 3.3Å; T135-H308 PolarHBondContact O-ND1 2.77Å; T135-G309 VanDerWaalsContact OG1-CA 3.22Å; T135-G309 WeakPolarHBondContact OG1-CA 3.47Å; T135-G309 PolarHBondContact OG1-N 3.39Å; T135-G310 PolarHBondContact OG1-N 3.27Å; T135-G310 PolarHBondContact OG1-O 2.92Å; T135-E315 HydrophobicContact CG2-CB 4.07Å; T135-E315 PolarHBondContact OG1-OE2 3.39Å; T135-L316 HydrophobicContact CG2-CD2 3.69Å | ||
| 136 | T | 86.5 | Confident | 90.5 | Very high | 34 Ų | 34 | 12.2 Ų | 12.2 | 21% | 0.209 | 7% | 0.068 | C | C | . | . | trans | -95.6 | 137.1 | 172.6 | 55.3 | 0 | 0 | 0 | 0 | 110 | P134 L138 Q139 R140 | P134-T136 PolarHBondContact O-N 2.88Å; P134-T136 VanDerWaalsContact O-N 3.08Å; T136-L138 VanDerWaalsContact C-N 3.29Å; T136-L138 PolarHBondContact O-N 3.44Å; T136-L138 VanDerWaalsContact O-N 3.15Å; T136-Q139 PolarHBondContact O-N 3.47Å; T136-Q139 VanDerWaalsContact OG1-CG 3.25Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.42Å; T136-R140 WeakPolarHBondContact O-CG 3.38Å; T136-R140 PolarHBondContact O-N 3.49Å | ||
| 137 | T | 89.3 | Confident | 90.8 | Very high | 23 Ų | 23 | 11 Ų | 11 | 14% | 0.141 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -44.3 | -51.6 | -175.5 | -44.9 | 0 | 0 | 0 | 0 | 112.3 | D84 Q139 R140 L141 D299 | D84-T137 VanDerWaalsContact OD2-CG2 3.3Å; D84-T137 WeakPolarHBondContact OD2-CG2 3.31Å; D84-T137 PolarHBondContact OD2-OG1 2.93Å; T137-Q139 VanDerWaalsContact C-N 3.33Å; T137-Q139 PolarHBondContact O-N 3.08Å; T137-R140 WeakPolarHBondContact O-CB 3.43Å; T137-R140 PolarHBondContact O-N 3.47Å; T137-L141 HydrophobicContact CG2-CD1 4.3Å; T137-L141 HydrophobicContact CG2-CG 4.36Å; T137-L141 WeakPolarHBondContact O-CG 3.48Å; T137-L141 PolarHBondContact O-N 2.99Å; T137-D299 WeakPolarHBondContact CA-OD2 3.24Å |
| 138 | L | 87.7 | Confident | 90.7 | Very high | 25 Ų | 25 | 11 Ų | 11 | 13% | 0.131 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 179.5 | -174.1 | 148.6 | 0 | 0 | 0 | 113.4 | T136 R140 K142 N158 T187 L191 | T136-L138 VanDerWaalsContact C-N 3.29Å; T136-L138 PolarHBondContact O-N 3.44Å; T136-L138 VanDerWaalsContact O-N 3.15Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-K142 PolarHBondContact O-N 3.36Å; L138-K142 VanDerWaalsContact O-N 3.1Å; L138-N158 HydrophobicContact CD1-CB 4.32Å; L138-N158 WeakPolarHBondContact CD1-O 3.44Å; L138-N158 HydrophobicContact CD2-CB 3.39Å; L138-T187 HydrophobicContact CB-CG2 4.38Å; L138-T187 HydrophobicContact CD1-CG2 4.35Å; L138-T187 HydrophobicContact CG-CG2 4.43Å; L138-L191 HydrophobicContact CD1-CD2 4.04Å; L138-L191 HydrophobicContact CD2-CD2 4.21Å; L138-L191 HydrophobicContact CG-CD1 4.13Å; L138-L191 HydrophobicContact CG-CD2 3.92Å; L138-L191 HydrophobicContact CG-CG 4.46Å |
| 139 | Q | 87.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.3 | -34.3 | 179.4 | -65 | -60.8 | -53.9 | 0 | 0 | 111.5 | P134 T136 T137 A143 P150 D154 A155 | P134-Q139 HydrophobicContact CG-CG 4.15Å; T136-Q139 PolarHBondContact O-N 3.47Å; T136-Q139 VanDerWaalsContact OG1-CG 3.25Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.42Å; T137-Q139 VanDerWaalsContact C-N 3.33Å; T137-Q139 PolarHBondContact O-N 3.08Å; Q139-A143 WeakPolarHBondContact O-CB 3.26Å; Q139-A143 PolarHBondContact O-N 2.92Å; Q139-P150 HydrophobicContact CB-CB 4.48Å; Q139-D154 VanDerWaalsContact NE2-C 3.29Å; Q139-D154 PolarHBondContact NE2-O 3Å; Q139-A155 HydrophobicContact CG-CB 4.02Å |
| 140 | R | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.6 | -48.5 | 175.5 | -57.5 | -58.2 | 84.9 | -140.6 | 1.3 | 111 | D132 P134 T136 T137 L138 K142 A143 L144 P150 D299 | D132-R140 PolarHBondContact O-NH1 2.87Å; D132-R140 VanDerWaalsContact O-NH1 3.08Å; D132-R140 PolarHBondContact O-NH2 2.7Å; P134-R140 PolarHBondContact O-NE 3.07Å; P134-R140 PolarHBondContact O-NH2 3.24Å; P134-R140 VanDerWaalsContact O-NH2 3.09Å; T136-R140 WeakPolarHBondContact O-CG 3.38Å; T136-R140 PolarHBondContact O-N 3.49Å; T137-R140 WeakPolarHBondContact O-CB 3.43Å; T137-R140 PolarHBondContact O-N 3.47Å; L138-R140 VanDerWaalsContact C-N 3.34Å; R140-K142 VanDerWaalsContact C-N 3.29Å; R140-K142 PolarHBondContact O-N 2.88Å; R140-A143 PolarHBondContact O-N 2.96Å; R140-L144 WeakPolarHBondContact O-CB 3.37Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-L144 PolarHBondContact O-N 3.31Å; R140-P150 VanDerWaalsContact NH2-CG 3.3Å; R140-D299 HydrophobicContact CB-CB 3.75Å; R140-D299 WeakPolarHBondContact CD-O 3.43Å; R140-D299 HydrophobicContact CG-CB 4.09Å; R140-D299 WeakPolarHBondContact CG-O 3.43Å |
| 141 | L | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.1 | -44.9 | 176.5 | -68 | -175 | 0 | 0 | 0 | 111.9 | L82 T137 M145 T187 W188 L191 | L82-L141 HydrophobicContact CD2-CD2 3.28Å; T137-L141 HydrophobicContact CG2-CD1 4.3Å; T137-L141 HydrophobicContact CG2-CG 4.36Å; T137-L141 WeakPolarHBondContact O-CG 3.48Å; T137-L141 PolarHBondContact O-N 2.99Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.97Å; L141-T187 HydrophobicContact CD1-CG2 3.88Å; L141-W188 HydrophobicContact CD1-CG 4.31Å; L141-W188 HydrophobicContact CD2-CD2 4.39Å; L141-W188 VanDerWaalsContact CD2-CE2 3.49Å; L141-W188 HydrophobicContact CD2-CH2 4.38Å; L141-W188 HydrophobicContact CD2-CZ2 3.51Å; L141-L191 HydrophobicContact CB-CD1 3.88Å; L141-L191 HydrophobicContact CD1-CD1 4.18Å |
| 142 | K | 91.5 | Very high | 86.4 | Confident | 9 Ų | 9 | 12.9 Ų | 12.9 | 4% | 0.039 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.2 | -54.5 | 175.2 | -173.8 | 177.2 | -178.5 | 178.5 | 0 | 111.1 | E53 L138 R140 L144 M145 T146 V164 E166 | E53-K142 IonicContact OE1-NZ 3.61Å; E53-K142 PolarHBondContact OE1-NZ 3.18Å; L138-K142 PolarHBondContact O-N 3.36Å; L138-K142 VanDerWaalsContact O-N 3.1Å; R140-K142 VanDerWaalsContact C-N 3.29Å; R140-K142 PolarHBondContact O-N 2.88Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 PolarHBondContact O-N 2.8Å; K142-M145 PolarHBondContact O-N 2.93Å; K142-M145 VanDerWaalsContact O-N 3.13Å; K142-T146 HydrophobicContact CG-CG2 4.24Å; K142-T146 PolarHBondContact O-N 3.42Å; K142-T146 PolarHBondContact O-OG1 3.47Å; K142-V164 HydrophobicContact CD-CG2 4.43Å; K142-V164 HydrophobicContact CG-CG2 4.21Å; K142-E166 WeakPolarHBondContact CE-OE2 3.37Å; K142-E166 IonicContact NZ-OE2 3.45Å |
| 143 | A | 92.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q139 R140 M145 G147 I347 | Q139-A143 WeakPolarHBondContact O-CB 3.26Å; Q139-A143 PolarHBondContact O-N 2.92Å; R140-A143 PolarHBondContact O-N 2.96Å; A143-M145 PolarHBondContact O-N 2.84Å; A143-G147 WeakPolarHBondContact O-CA 3.14Å; A143-G147 PolarHBondContact O-N 3.36Å; A143-I347 HydrophobicContact CB-CG2 4.33Å |
| 144 | L | 95.5 | Very high | 84.1 | Confident | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.5 | -22.8 | 178.4 | -74.5 | 169.5 | 0 | 0 | 0 | 113.4 | L82 F129 R140 K142 D299 Q346 L349 V350 | L82-L144 HydrophobicContact CD1-CD1 4.13Å; F129-L144 HydrophobicContact CE1-CD2 3.45Å; F129-L144 VanDerWaalsContact CE1-CD2 3.45Å; F129-L144 HydrophobicContact CZ-CD2 3.41Å; F129-L144 VanDerWaalsContact CZ-CD2 3.41Å; R140-L144 WeakPolarHBondContact O-CB 3.37Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-L144 PolarHBondContact O-N 3.31Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 PolarHBondContact O-N 2.8Å; L144-D299 HydrophobicContact CD1-CB 4.45Å; L144-Q346 HydrophobicContact CD2-CB 3.85Å; L144-Q346 HydrophobicContact CD2-CG 4.01Å; L144-L349 HydrophobicContact CD2-CD2 4.33Å; L144-V350 WeakPolarHBondContact O-CG2 3.44Å |
| 145 | M | 95.7 | Very high | 82.7 | Confident | 5 Ų | 5 | 12 Ų | 12 | 3% | 0.025 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -106.6 | -28.1 | -178.1 | -65.8 | -59 | 109.5 | 0 | 0 | 113.5 | L141 K142 A143 N168 L169 L170 W188 F192 | L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.97Å; K142-M145 PolarHBondContact O-N 2.93Å; K142-M145 VanDerWaalsContact O-N 3.13Å; A143-M145 PolarHBondContact O-N 2.84Å; M145-N168 HydrophobicContact CB-CB 4.31Å; M145-N168 WeakPolarHBondContact O-CA 3.5Å; M145-N168 WeakPolarHBondContact O-CB 3.32Å; M145-L169 PolarHBondContact O-N 3.16Å; M145-L169 HydrophobicContact SD-CB 4.45Å; M145-L170 HydrophobicContact CG-CD1 4.38Å; M145-L170 HydrophobicContact CG-CG 4.36Å; M145-L170 HydrophobicContact SD-CD1 4.41Å; M145-L170 HydrophobicContact SD-CD2 4.13Å; M145-L170 HydrophobicContact SD-CG 3.88Å; M145-W188 HydrophobicContact CE-CH2 3.99Å; M145-W188 HydrophobicContact CE-CZ3 4.4Å; M145-W188 HydrophobicContact CG-CH2 4.3Å; M145-W188 HydrophobicContact CG-CZ3 3.94Å; M145-W188 HydrophobicContact SD-CH2 4.14Å; M145-W188 HydrophobicContact SD-CZ3 3.93Å; M145-F192 HydrophobicContact CB-CE1 4.12Å; M145-F192 HydrophobicContact CB-CE2 4.35Å; M145-F192 HydrophobicContact CB-CZ 3.68Å; M145-F192 HydrophobicContact CG-CE2 4.03Å; M145-F192 HydrophobicContact CG-CZ 3.88Å |
| 146 | T | 94.6 | Very high | 81 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -94.2 | -27.1 | 178 | 60 | 0 | 0 | 0 | 0 | 112.9 | K142 S148 V164 E166 N168 N365 | K142-T146 HydrophobicContact CG-CG2 4.24Å; K142-T146 PolarHBondContact O-N 3.42Å; K142-T146 PolarHBondContact O-OG1 3.47Å; T146-S148 WeakPolarHBondContact CB-OG 3.48Å; T146-S148 PolarHBondContact O-N 3.48Å; T146-S148 PolarHBondContact OG1-N 3.27Å; T146-S148 PolarHBondContact OG1-OG 3.3Å; T146-V164 HydrophobicContact CG2-CG1 4.06Å; T146-E166 HydrophobicContact CG2-CB 4.28Å; T146-N168 HydrophobicContact CG2-CB 4.08Å; T146-N365 WeakPolarHBondContact O-CA 3.25Å |
| 147 | G | 94 | Very high | 79.5 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | 70.1 | 18.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A143 N365 L366 G367 | A143-G147 WeakPolarHBondContact O-CA 3.14Å; A143-G147 PolarHBondContact O-N 3.36Å; G147-N365 WeakPolarHBondContact CA-OD1 3.18Å; G147-L366 PolarHBondContact O-N 3.27Å; G147-G367 PolarHBondContact O-N 3.41Å | ||
| 148 | S | 88.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | trans | -104.5 | 151.5 | -176.7 | 73.4 | 0 | 0 | 0 | 0 | 110.9 | R51 T146 | R51-S148 PolarHBondContact NH1-OG 3.01Å; T146-S148 WeakPolarHBondContact CB-OG 3.48Å; T146-S148 PolarHBondContact O-N 3.48Å; T146-S148 PolarHBondContact OG1-N 3.27Å; T146-S148 PolarHBondContact OG1-OG 3.3Å | ||
| 149 | M | 81.6 | Confident | 75.8 | Confident | 10 Ų | 10 | 20.1 Ų | 20.1 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | trans | -82 | 132.4 | -175.8 | -63 | 178.3 | -62.7 | 0 | 0 | 110.8 | R51 I347 L366 F446 R447 W450 | R51-M149 PolarHBondContact NH1-O 2.91Å; M149-I347 HydrophobicContact CG-CD1 4.04Å; M149-L366 HydrophobicContact CE-CD1 3.68Å; M149-F446 HydrophobicContact CE-CB 3.89Å; M149-R447 HydrophobicContact CE-CB 4.29Å; M149-R447 HydrophobicContact CE-CG 3.45Å; M149-R447 VanDerWaalsContact CE-CG 3.45Å; M149-R447 HydrophobicContact SD-CG 3.19Å; M149-R447 WeakPolarHBondContact SD-CG 3.43Å; M149-R447 PolarHBondContact SD-NE 2.96Å; M149-W450 HydrophobicContact CB-CE3 4.38Å; M149-W450 HydrophobicContact CB-CZ3 4.15Å; M149-W450 HydrophobicContact CE-CE3 3.67Å; M149-W450 HydrophobicContact CE-CZ3 3.57Å | ||
| 150 | P | 73.1 | Confident | 74 | Confident | 20 Ų | 20 | 21.4 Ų | 21.4 | 13% | 0.13 | 13% | 0.132 | C | C | . | . | trans | -68.2 | 154.6 | 179.2 | 36.3 | -44.6 | 0 | 0 | 0 | 111.6 | D132 P133 Q139 R140 | D132-P150 HydrophobicContact CB-CG 4Å; P133-P150 VanDerWaalsContact O-CG 3.27Å; P133-P150 WeakPolarHBondContact O-CG 3.5Å; Q139-P150 HydrophobicContact CB-CB 4.48Å; R140-P150 VanDerWaalsContact NH2-CG 3.3Å | ||
| 151 | T | 68 | Low | 72.3 | Confident | 10 Ų | 10 | 22.3 Ų | 22.3 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | trans | -121.5 | 160.1 | 165.1 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | R51 I153 D154 A155 | R51-T151 HydrophobicContact CB-CG2 3.57Å; T151-I153 VanDerWaalsContact C-N 3.3Å; T151-I153 PolarHBondContact O-N 2.83Å; T151-D154 PolarHBondContact N-OD2 2.83Å; T151-D154 WeakPolarHBondContact O-CB 3.41Å; T151-D154 PolarHBondContact O-N 2.79Å; T151-D154 VanDerWaalsContact O-N 3.09Å; T151-D154 PolarHBondContact OG1-N 3.44Å; T151-D154 PolarHBondContact OG1-OD2 3.43Å; T151-A155 PolarHBondContact O-N 3.31Å | ||
| 152 | F | 63.3 | Low | 71.1 | Confident | 50 Ų | 50 | 26.1 Ų | 26.1 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -36.2 | -179.1 | -115.7 | -82.7 | 0 | 0 | 0 | 112.9 | D154 A155 G156 L904 W1014 | F152-D154 VanDerWaalsContact C-N 3.31Å; F152-A155 WeakPolarHBondContact O-CB 3.39Å; F152-A155 PolarHBondContact O-N 2.91Å; F152-G156 PolarHBondContact O-N 2.95Å; F152-L904 HydrophobicContact CE1-CD1 3.79Å; F152-L904 HydrophobicContact CZ-CD1 4.21Å; F152-W1014 HydrophobicContact CB-CZ3 4.49Å; F152-W1014 AromaticContact CD2-CD2 3.94Å; F152-W1014 HydrophobicContact CD2-CD2 3.94Å; F152-W1014 AromaticContact CD2-CE3 3.68Å; F152-W1014 HydrophobicContact CD2-CE3 3.68Å; F152-W1014 HydrophobicContact CD2-CG 4.34Å; F152-W1014 HydrophobicContact CD2-CZ3 4.22Å; F152-W1014 HydrophobicContact CE2-CB 3.78Å; F152-W1014 AromaticContact CE2-CD2 3.95Å; F152-W1014 HydrophobicContact CE2-CD2 3.95Å; F152-W1014 AromaticContact CE2-CE3 3.81Å; F152-W1014 HydrophobicContact CE2-CE3 3.81Å; F152-W1014 AromaticContact CE2-CG 3.94Å; F152-W1014 HydrophobicContact CE2-CG 3.94Å; F152-W1014 HydrophobicContact CG-CE3 4.08Å; F152-W1014 HydrophobicContact CG-CZ3 4.27Å; F152-W1014 HydrophobicContact CZ-CB 4.24Å; F152-W1014 HydrophobicContact CZ-CE3 4.31Å |
| 153 | I | 61.2 | Low | 70.6 | Confident | 42 Ų | 42 | 30.4 Ų | 30.4 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 175 | -70.5 | 177.1 | 0 | 0 | 0 | 110.7 | L48 L49 N50 T151 A155 G156 S157 | L48-I153 HydrophobicContact CB-CD1 3.62Å; L48-I153 HydrophobicContact CB-CG1 3.64Å; L48-I153 HydrophobicContact CD1-CG1 4.45Å; L48-I153 WeakPolarHBondContact O-CD1 3.38Å; L49-I153 WeakPolarHBondContact O-CB 3.19Å; L49-I153 WeakPolarHBondContact O-CD1 3.43Å; L49-I153 VanDerWaalsContact O-CG1 3.27Å; L49-I153 WeakPolarHBondContact O-CG1 3.27Å; N50-I153 HydrophobicContact CB-CD1 3.76Å; T151-I153 VanDerWaalsContact C-N 3.3Å; T151-I153 PolarHBondContact O-N 2.83Å; I153-A155 PolarHBondContact O-N 3.34Å; I153-G156 WeakPolarHBondContact O-CA 3.46Å; I153-G156 PolarHBondContact O-N 3.01Å; I153-S157 PolarHBondContact O-N 2.89Å; I153-S157 PolarHBondContact O-OG 2.81Å |
| 154 | D | 59.5 | Low | 70.4 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -33.2 | 177.6 | -64.4 | -31.4 | 0 | 0 | 0 | 111.7 | R51 Q139 T151 F152 S157 N158 | R51-D154 IonicContact NE-OD2 3.59Å; Q139-D154 VanDerWaalsContact NE2-C 3.29Å; Q139-D154 PolarHBondContact NE2-O 3Å; T151-D154 PolarHBondContact N-OD2 2.83Å; T151-D154 WeakPolarHBondContact O-CB 3.41Å; T151-D154 PolarHBondContact O-N 2.79Å; T151-D154 VanDerWaalsContact O-N 3.09Å; T151-D154 PolarHBondContact OG1-N 3.44Å; T151-D154 PolarHBondContact OG1-OD2 3.43Å; F152-D154 VanDerWaalsContact C-N 3.31Å; D154-S157 WeakPolarHBondContact CA-OG 3.22Å; D154-S157 PolarHBondContact O-OG 3.36Å; D154-N158 WeakPolarHBondContact O-CB 3.34Å; D154-N158 VanDerWaalsContact O-CG 3.28Å; D154-N158 PolarHBondContact O-N 3.15Å; D154-N158 VanDerWaalsContact O-N 3.15Å; D154-N158 PolarHBondContact O-ND2 2.8Å |
| 155 | A | 54.2 | Low | 70 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -51 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | P134 Q139 T151 F152 I153 N158 F159 | P134-A155 HydrophobicContact CG-CB 3.85Å; Q139-A155 HydrophobicContact CG-CB 4.02Å; T151-A155 PolarHBondContact O-N 3.31Å; F152-A155 WeakPolarHBondContact O-CB 3.39Å; F152-A155 PolarHBondContact O-N 2.91Å; I153-A155 PolarHBondContact O-N 3.34Å; A155-N158 PolarHBondContact O-N 3.04Å; A155-F159 WeakPolarHBondContact O-CD2 3.44Å; A155-F159 PolarHBondContact O-N 3.33Å |
| 156 | G | 51.9 | Low | 69.7 | Low | 49 Ų | 49 | 34.3 Ų | 34.3 | 51% | 0.505 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.6 | -49.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F152 I153 N158 | F152-G156 PolarHBondContact O-N 2.95Å; I153-G156 WeakPolarHBondContact O-CA 3.46Å; I153-G156 PolarHBondContact O-N 3.01Å; G156-N158 VanDerWaalsContact C-N 3.31Å; G156-N158 PolarHBondContact O-N 3.41Å |
| 157 | S | 53.6 | Low | 69.7 | Low | 59 Ų | 59 | 34.3 Ų | 34.3 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.7 | -30 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | I153 D154 N162 | I153-S157 PolarHBondContact O-N 2.89Å; I153-S157 PolarHBondContact O-OG 2.81Å; D154-S157 WeakPolarHBondContact CA-OG 3.22Å; D154-S157 PolarHBondContact O-OG 3.36Å; S157-N162 PolarHBondContact O-ND2 2.74Å |
| 158 | N | 50.3 | Low | 69.7 | Low | 16 Ų | 16 | 34.3 Ų | 34.3 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -99.1 | 1 | -176.9 | -59.3 | -50.9 | 0 | 0 | 0 | 114.9 | L138 D154 A155 G156 G160 G161 | L138-N158 HydrophobicContact CD1-CB 4.32Å; L138-N158 WeakPolarHBondContact CD1-O 3.44Å; L138-N158 HydrophobicContact CD2-CB 3.39Å; D154-N158 WeakPolarHBondContact O-CB 3.34Å; D154-N158 VanDerWaalsContact O-CG 3.28Å; D154-N158 PolarHBondContact O-N 3.15Å; D154-N158 VanDerWaalsContact O-N 3.15Å; D154-N158 PolarHBondContact O-ND2 2.8Å; A155-N158 PolarHBondContact O-N 3.04Å; G156-N158 VanDerWaalsContact C-N 3.31Å; G156-N158 PolarHBondContact O-N 3.41Å; N158-G160 PolarHBondContact O-N 2.67Å; N158-G161 PolarHBondContact O-N 2.78Å |
| 159 | F | 49.6 | Very low | 70 | Confident | 129 Ų | 129 | 34.2 Ų | 34.2 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | -16.3 | 163.4 | -94.6 | -80.9 | 0 | 0 | 0 | 112.3 | A155 R923 | A155-F159 WeakPolarHBondContact O-CD2 3.44Å; A155-F159 PolarHBondContact O-N 3.33Å; F159-R923 PolarHBondContact O-NH1 2.77Å |
| 160 | G | 50.4 | Low | 70.8 | Confident | 30 Ų | 30 | 33.7 Ų | 33.7 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | N158 R923 | N158-G160 PolarHBondContact O-N 2.67Å; G160-R923 VanDerWaalsContact C-NH1 3.27Å; G160-R923 PolarHBondContact O-NH1 3.45Å; G160-R923 PolarHBondContact O-NH2 3.29Å |
| 161 | G | 55.5 | Low | 71.8 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | trans | 72.4 | 46.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N158 | N158-G161 PolarHBondContact O-N 2.78Š| ||
| 162 | N | 68.9 | Low | 72.9 | Confident | 79 Ų | 79 | 34.1 Ų | 34.1 | 42% | 0.422 | 20% | 0.196 | S | C | . | . | trans | -76.9 | 135 | 179.5 | -64.4 | -25.6 | 0 | 0 | 0 | 110.6 | S157 V164 L191 | S157-N162 PolarHBondContact O-ND2 2.74Å; N162-V164 PolarHBondContact O-N 3.35Å; N162-L191 WeakPolarHBondContact O-CD2 3.32Å | ||
| 163 | K | 82.5 | Confident | 74.4 | Confident | 100 Ų | 100 | 31.8 Ų | 31.8 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | trans | -49.3 | 129.1 | 172.8 | 177.5 | 172.8 | -172.1 | 159.1 | 0 | 111.8 | L165 D190 P193 D194 | K163-L165 HydrophobicContact CD-CD2 4.33Å; K163-L165 HydrophobicContact CG-CD2 4.23Å; K163-L165 PolarHBondContact O-N 3.46Å; K163-D190 WeakPolarHBondContact CA-O 3.28Å; K163-P193 HydrophobicContact CB-CG 4.36Å; K163-P193 HydrophobicContact CD-CG 3.5Å; K163-P193 VanDerWaalsContact CD-CG 3.5Å; K163-P193 HydrophobicContact CG-CG 3.78Å; K163-D194 IonicContact NZ-OD2 3.69Å | ||
| 164 | V | 86.9 | Confident | 75.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | trans | -75 | 109.9 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | K142 T146 N162 E166 K171 L191 F192 | K142-V164 HydrophobicContact CD-CG2 4.43Å; K142-V164 HydrophobicContact CG-CG2 4.21Å; T146-V164 HydrophobicContact CG2-CG1 4.06Å; N162-V164 PolarHBondContact O-N 3.35Å; V164-E166 HydrophobicContact CG1-CB 4.13Å; V164-K171 PolarHBondContact O-NZ 2.94Å; V164-L191 HydrophobicContact CG2-CB 4.08Å; V164-L191 HydrophobicContact CG2-CD2 3.93Å; V164-L191 PolarHBondContact N-O 2.81Å; V164-F192 HydrophobicContact CB-CD1 4.14Å; V164-F192 HydrophobicContact CB-CE1 3.73Å; V164-F192 HydrophobicContact CB-CZ 4.47Å; V164-F192 HydrophobicContact CG1-CE1 4.02Å; V164-F192 HydrophobicContact CG2-CD1 4.48Å; V164-F192 HydrophobicContact CG2-CE1 3.86Å; V164-F192 HydrophobicContact CG2-CZ 4.1Å | ||
| 165 | L | 87.2 | Confident | 77.3 | Confident | 83 Ų | 83 | 37.4 Ų | 37.4 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | trans | -82.8 | -28 | 179.5 | -61.4 | -178.6 | 0 | 0 | 0 | 112.7 | Y55 K163 K171 | Y55-L165 HydrophobicContact CD1-CB 3.55Å; Y55-L165 HydrophobicContact CE1-CB 3.66Å; Y55-L165 HydrophobicContact CE1-CD1 4.1Å; Y55-L165 HydrophobicContact CG-CB 4.27Å; K163-L165 HydrophobicContact CD-CD2 4.33Å; K163-L165 HydrophobicContact CG-CD2 4.23Å; K163-L165 PolarHBondContact O-N 3.46Å; L165-K171 VanDerWaalsContact C-NZ 3.31Å; L165-K171 PolarHBondContact O-NZ 3.33Å | ||
| 166 | E | 89.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -53.8 | 149.8 | 175 | -62.7 | -175.8 | 85.2 | 0 | 0 | 112.2 | R51 E53 K142 T146 V164 N168 K171 S364 | R51-E166 IonicContact CZ-OE2 3.92Å; R51-E166 IonicContact NH2-OE1 3.41Å; R51-E166 IonicContact NH2-OE2 3.2Å; R51-E166 PolarHBondContact NH2-OE2 3.21Å; E53-E166 HydrophobicContact CB-CG 3.91Å; E53-E166 HydrophobicContact CG-CG 4.13Å; K142-E166 WeakPolarHBondContact CE-OE2 3.37Å; K142-E166 IonicContact NZ-OE2 3.45Å; T146-E166 HydrophobicContact CG2-CB 4.28Å; V164-E166 HydrophobicContact CG1-CB 4.13Å; E166-N168 PolarHBondContact O-ND2 2.97Å; E166-N168 VanDerWaalsContact O-ND2 3.13Å; E166-K171 PolarHBondContact O-NZ 3.27Å; E166-S364 PolarHBondContact OE1-OG 2.82Å |
| 167 | D | 93.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -58.3 | 141.4 | 167.4 | -167.2 | 14.7 | 0 | 0 | 0 | 110 | N56 E57 T58 Q172 Y363 | N56-D167 WeakPolarHBondContact O-CB 3.49Å; E57-D167 WeakPolarHBondContact CA-OD2 3.4Å; E57-D167 HydrophobicContact CB-CB 4.31Å; E57-D167 HydrophobicContact CG-CB 4.12Å; T58-D167 PolarHBondContact N-OD2 3.26Å; D167-Q172 PolarHBondContact OD1-NE2 2.84Å; D167-Q172 PolarHBondContact OD2-NE2 3.42Å; D167-Y363 PolarHBondContact OD2-N 3.21Å | ||
| 168 | N | 94.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -155.3 | 164.7 | -175.2 | 63.2 | 68 | 0 | 0 | 0 | 110.9 | M145 T146 E166 L170 K171 Q172 F192 | M145-N168 HydrophobicContact CB-CB 4.31Å; M145-N168 WeakPolarHBondContact O-CA 3.5Å; M145-N168 WeakPolarHBondContact O-CB 3.32Å; T146-N168 HydrophobicContact CG2-CB 4.08Å; E166-N168 PolarHBondContact O-ND2 2.97Å; E166-N168 VanDerWaalsContact O-ND2 3.13Å; N168-L170 VanDerWaalsContact C-N 3.31Å; N168-L170 PolarHBondContact O-N 2.79Å; N168-L170 WeakPolarHBondContact OD1-CB 3.31Å; N168-L170 PolarHBondContact OD1-N 2.93Å; N168-K171 WeakPolarHBondContact ND2-CD 3.4Å; N168-K171 WeakPolarHBondContact ND2-CE 3.4Å; N168-K171 WeakPolarHBondContact O-CB 3.5Å; N168-K171 PolarHBondContact O-N 3.47Å; N168-K171 PolarHBondContact OD1-N 3.3Å; N168-Q172 WeakPolarHBondContact O-CG 3.39Å; N168-Q172 PolarHBondContact O-N 3.23Å; N168-Q172 VanDerWaalsContact O-N 3.09Å; N168-F192 HydrophobicContact CB-CE1 4.31Å | ||
| 169 | L | 95.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -38.5 | -173.8 | -173.6 | 58.8 | 0 | 0 | 0 | 112.9 | M145 K171 Q172 W173 L353 S354 V359 P362 | M145-L169 PolarHBondContact O-N 3.16Å; M145-L169 HydrophobicContact SD-CB 4.45Å; L169-K171 PolarHBondContact O-N 2.84Å; L169-Q172 PolarHBondContact O-N 3.23Å; L169-W173 HydrophobicContact CD1-CD2 4.28Å; L169-W173 HydrophobicContact CD1-CZ2 3.92Å; L169-W173 HydrophobicContact CD2-CH2 3.47Å; L169-W173 VanDerWaalsContact CD2-CH2 3.47Å; L169-W173 HydrophobicContact CD2-CZ2 3.41Å; L169-W173 VanDerWaalsContact CD2-CZ2 3.41Å; L169-W173 HydrophobicContact CD2-CZ3 4.16Å; L169-W173 HydrophobicContact CG-CD2 3.91Å; L169-W173 HydrophobicContact CG-CE3 4.13Å; L169-W173 HydrophobicContact CG-CH2 3.73Å; L169-W173 HydrophobicContact CG-CZ2 3.5Å; L169-W173 VanDerWaalsContact CG-CZ2 3.5Å; L169-W173 HydrophobicContact CG-CZ3 4.04Å; L169-W173 PolarHBondContact O-N 3.29Å; L169-L353 HydrophobicContact CD2-CB 3.65Å; L169-L353 HydrophobicContact CD2-CD1 3.8Å; L169-L353 HydrophobicContact CD2-CG 4.4Å; L169-S354 WeakPolarHBondContact CD1-OG 3.33Å; L169-V359 HydrophobicContact CD1-CG2 3.94Å; L169-P362 HydrophobicContact CB-CG 4.34Å |
| 170 | L | 96.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.1 | -61.1 | 174.5 | 0 | 0 | 0 | 112 | M145 N168 Q172 W173 N174 I180 W188 F192 C195 F196 I250 | M145-L170 HydrophobicContact CG-CD1 4.38Å; M145-L170 HydrophobicContact CG-CG 4.36Å; M145-L170 HydrophobicContact SD-CD1 4.41Å; M145-L170 HydrophobicContact SD-CD2 4.13Å; M145-L170 HydrophobicContact SD-CG 3.88Å; N168-L170 VanDerWaalsContact C-N 3.31Å; N168-L170 PolarHBondContact O-N 2.79Å; N168-L170 WeakPolarHBondContact OD1-CB 3.31Å; N168-L170 PolarHBondContact OD1-N 2.93Å; L170-Q172 VanDerWaalsContact C-N 3.32Å; L170-Q172 PolarHBondContact O-N 2.77Å; L170-W173 HydrophobicContact CD2-CE3 3.78Å; L170-W173 HydrophobicContact CD2-CZ3 3.79Å; L170-W173 PolarHBondContact O-N 3.39Å; L170-N174 WeakPolarHBondContact O-CB 3.4Å; L170-N174 PolarHBondContact O-N 3.34Å; L170-I180 HydrophobicContact CD2-CD1 4.43Å; L170-I180 HydrophobicContact CD2-CG2 4.45Å; L170-W188 HydrophobicContact CD1-CE3 4.04Å; L170-W188 HydrophobicContact CD1-CZ3 3.94Å; L170-W188 HydrophobicContact CD2-CZ3 4.39Å; L170-F192 HydrophobicContact CD1-CB 3.58Å; L170-F192 HydrophobicContact CD1-CD1 3.97Å; L170-F192 HydrophobicContact CD1-CD2 3.61Å; L170-F192 HydrophobicContact CD1-CE2 4.24Å; L170-F192 HydrophobicContact CD1-CG 3.45Å; L170-F192 VanDerWaalsContact CD1-CG 3.45Å; L170-C195 HydrophobicContact CB-CB 3.95Å; L170-C195 HydrophobicContact CD1-CB 4.49Å; L170-F196 HydrophobicContact CD1-CE1 4.28Å; L170-F196 HydrophobicContact CD1-CZ 3.86Å; L170-F196 HydrophobicContact CD2-CE1 4.14Å; L170-I250 HydrophobicContact CD2-CD1 3.84Å |
| 171 | K | 94 | Very high | 88.8 | Confident | 34 Ų | 34 | 35.9 Ų | 35.9 | 15% | 0.148 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.7 | -74.4 | 177.2 | -177.5 | 162.7 | 0 | 111.4 | V164 L165 E166 N168 L169 N174 K175 | V164-K171 PolarHBondContact O-NZ 2.94Å; L165-K171 VanDerWaalsContact C-NZ 3.31Å; L165-K171 PolarHBondContact O-NZ 3.33Å; E166-K171 PolarHBondContact O-NZ 3.27Å; N168-K171 WeakPolarHBondContact ND2-CD 3.4Å; N168-K171 WeakPolarHBondContact ND2-CE 3.4Å; N168-K171 WeakPolarHBondContact O-CB 3.5Å; N168-K171 PolarHBondContact O-N 3.47Å; N168-K171 PolarHBondContact OD1-N 3.3Å; L169-K171 PolarHBondContact O-N 2.84Å; K171-N174 PolarHBondContact O-N 3.24Å; K171-K175 WeakPolarHBondContact O-CB 3.29Å; K171-K175 WeakPolarHBondContact O-CG 3.29Å; K171-K175 PolarHBondContact O-N 2.9Å |
| 172 | Q | 93.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.023 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.9 | -66.5 | -60.3 | -29.4 | 0 | 0 | 111.9 | D167 N168 L169 L170 A176 V359 P362 | D167-Q172 PolarHBondContact OD1-NE2 2.84Å; D167-Q172 PolarHBondContact OD2-NE2 3.42Å; N168-Q172 WeakPolarHBondContact O-CG 3.39Å; N168-Q172 PolarHBondContact O-N 3.23Å; N168-Q172 VanDerWaalsContact O-N 3.09Å; L169-Q172 PolarHBondContact O-N 3.23Å; L170-Q172 VanDerWaalsContact C-N 3.32Å; L170-Q172 PolarHBondContact O-N 2.77Å; Q172-A176 WeakPolarHBondContact O-CB 3.39Å; Q172-A176 PolarHBondContact O-N 2.75Å; Q172-V359 HydrophobicContact CB-CB 4.21Å; Q172-V359 HydrophobicContact CB-CG2 4.03Å; Q172-P362 HydrophobicContact CG-CG 4.45Å |
| 173 | W | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -48.8 | 172.7 | -72.4 | -28.4 | 0 | 0 | 0 | 112.6 | L80 L169 L170 K175 A176 G177 K178 I180 I248 I250 L353 T357 | L80-W173 HydrophobicContact CD1-CH2 4.01Å; L80-W173 HydrophobicContact CD1-CZ3 4.48Å; L169-W173 HydrophobicContact CD1-CD2 4.28Å; L169-W173 HydrophobicContact CD1-CZ2 3.92Å; L169-W173 HydrophobicContact CD2-CH2 3.47Å; L169-W173 VanDerWaalsContact CD2-CH2 3.47Å; L169-W173 HydrophobicContact CD2-CZ2 3.41Å; L169-W173 VanDerWaalsContact CD2-CZ2 3.41Å; L169-W173 HydrophobicContact CD2-CZ3 4.16Å; L169-W173 HydrophobicContact CG-CD2 3.91Å; L169-W173 HydrophobicContact CG-CE3 4.13Å; L169-W173 HydrophobicContact CG-CH2 3.73Å; L169-W173 HydrophobicContact CG-CZ2 3.5Å; L169-W173 VanDerWaalsContact CG-CZ2 3.5Å; L169-W173 HydrophobicContact CG-CZ3 4.04Å; L169-W173 PolarHBondContact O-N 3.29Å; L170-W173 HydrophobicContact CD2-CE3 3.78Å; L170-W173 HydrophobicContact CD2-CZ3 3.79Å; L170-W173 PolarHBondContact O-N 3.39Å; W173-K175 PolarHBondContact O-N 2.92Å; W173-A176 CarbonylContact O-C 3.6Å; W173-A176 PolarHBondContact O-N 3.38Å; W173-A176 VanDerWaalsContact O-N 3.15Å; W173-G177 PolarHBondContact O-N 2.89Å; W173-K178 HydrophobicContact CB-CB 4.11Å; W173-K178 HydrophobicContact CB-CG 4.35Å; W173-K178 VanDerWaalsContact O-CB 3.26Å; W173-K178 WeakPolarHBondContact O-CB 3.42Å; W173-K178 WeakPolarHBondContact O-CG 2.98Å; W173-K178 PolarHBondContact O-N 2.78Å; W173-I180 HydrophobicContact CB-CD1 3.53Å; W173-I180 HydrophobicContact CB-CG1 4.11Å; W173-I180 HydrophobicContact CE3-CD1 4.15Å; W173-I180 HydrophobicContact CG-CD1 4.48Å; W173-I248 HydrophobicContact CB-CD1 3.89Å; W173-I248 HydrophobicContact CD2-CD1 3.26Å; W173-I248 HydrophobicContact CD2-CG1 4.3Å; W173-I248 HydrophobicContact CE3-CD1 3.61Å; W173-I248 HydrophobicContact CE3-CG1 4.42Å; W173-I248 HydrophobicContact CE3-CG2 4.3Å; W173-I248 HydrophobicContact CG-CD1 3.39Å; W173-I248 HydrophobicContact CH2-CD1 4.49Å; W173-I248 HydrophobicContact CH2-CG2 4.23Å; W173-I248 HydrophobicContact CZ2-CD1 4.19Å; W173-I248 HydrophobicContact CZ2-CG1 4.47Å; W173-I248 HydrophobicContact CZ3-CD1 4.22Å; W173-I248 HydrophobicContact CZ3-CG2 3.92Å; W173-I250 HydrophobicContact CZ3-CD1 4.32Å; W173-L353 HydrophobicContact CH2-CD1 4.38Å; W173-L353 HydrophobicContact CZ2-CB 4.33Å; W173-T357 HydrophobicContact CZ2-CG2 4.07Å; W173-T357 PolarHBondContact NE1-OG1 3.05Å |
| 174 | N | 92.3 | Very high | 92.8 | Very high | 69 Ų | 69 | 26.4 Ų | 26.4 | 37% | 0.369 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60 | -45.8 | 179.6 | -175.3 | -57.4 | 0 | 0 | 0 | 111.4 | L170 K171 A176 G177 I180 D194 C195 | L170-N174 WeakPolarHBondContact O-CB 3.4Å; L170-N174 PolarHBondContact O-N 3.34Å; K171-N174 PolarHBondContact O-N 3.24Å; N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 2.88Å; N174-G177 WeakPolarHBondContact O-CA 3.43Å; N174-G177 PolarHBondContact O-N 2.82Å; N174-I180 HydrophobicContact CB-CD1 4.46Å; N174-D194 PolarHBondContact ND2-O 3.25Å; N174-C195 PolarHBondContact ND2-O 2.87Å |
| 175 | K | 89.5 | Confident | 93.1 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 43% | 0.426 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.4 | -30.3 | 176 | -75.2 | 176 | -170.9 | 158 | 0 | 114.1 | E57 K171 W173 G177 | E57-K175 IonicContact OE1-NZ 3.25Å; E57-K175 PolarHBondContact OE1-NZ 3.43Å; E57-K175 IonicContact OE2-NZ 2.81Å; E57-K175 PolarHBondContact OE2-NZ 2.77Å; K171-K175 WeakPolarHBondContact O-CB 3.29Å; K171-K175 WeakPolarHBondContact O-CG 3.29Å; K171-K175 PolarHBondContact O-N 2.9Å; W173-K175 PolarHBondContact O-N 2.92Å; K175-G177 PolarHBondContact O-N 2.87Å |
| 176 | A | 88 | Confident | 93.2 | Very high | 56 Ų | 56 | 25 Ų | 25 | 46% | 0.463 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 3.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q172 W173 N174 K178 V359 | Q172-A176 WeakPolarHBondContact O-CB 3.39Å; Q172-A176 PolarHBondContact O-N 2.75Å; W173-A176 CarbonylContact O-C 3.6Å; W173-A176 PolarHBondContact O-N 3.38Å; W173-A176 VanDerWaalsContact O-N 3.15Å; N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 2.88Å; A176-K178 VanDerWaalsContact C-N 3.26Å; A176-K178 HydrophobicContact CB-CG 4.17Å; A176-K178 PolarHBondContact O-N 3.37Å; A176-V359 HydrophobicContact CB-CG1 3.64Å |
| 177 | G | 89.9 | Confident | 93.1 | Very high | 48 Ų | 48 | 25.9 Ų | 25.9 | 50% | 0.495 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 11.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | W173 N174 K175 Q179 | W173-G177 PolarHBondContact O-N 2.89Å; N174-G177 WeakPolarHBondContact O-CA 3.43Å; N174-G177 PolarHBondContact O-N 2.82Å; K175-G177 PolarHBondContact O-N 2.87Å; G177-Q179 PolarHBondContact O-NE2 3.43Å |
| 178 | K | 90.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 26.1 Ų | 26.1 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | trans | -68 | 135.9 | -178.5 | -59.5 | -65.1 | -174.6 | 179.9 | 0 | 110.6 | W173 A176 I180 D247 I248 | W173-K178 HydrophobicContact CB-CB 4.11Å; W173-K178 HydrophobicContact CB-CG 4.35Å; W173-K178 VanDerWaalsContact O-CB 3.26Å; W173-K178 WeakPolarHBondContact O-CB 3.42Å; W173-K178 WeakPolarHBondContact O-CG 2.98Å; W173-K178 PolarHBondContact O-N 2.78Å; A176-K178 VanDerWaalsContact C-N 3.26Å; A176-K178 HydrophobicContact CB-CG 4.17Å; A176-K178 PolarHBondContact O-N 3.37Å; K178-I180 PolarHBondContact O-N 2.99Å; K178-D247 VanDerWaalsContact CA-OD2 3.27Å; K178-D247 WeakPolarHBondContact CA-OD2 3.31Å; K178-D247 HydrophobicContact CB-CB 4.2Å; K178-D247 HydrophobicContact CD-CB 3.99Å; K178-D247 IonicContact NZ-OD1 2.74Å; K178-I248 HydrophobicContact CB-CD1 4.07Å | ||
| 179 | Q | 93.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 27.5 Ų | 27.5 | 36% | 0.36 | 15% | 0.151 | S | C | . | . | trans | -84.7 | 99.8 | 177.4 | -64.3 | -55.3 | -56.9 | 0 | 0 | 109.7 | G177 D247 I248 | G177-Q179 PolarHBondContact O-NE2 3.43Å; Q179-D247 PolarHBondContact N-OD2 3.32Å; Q179-D247 PolarHBondContact O-N 2.99Å; Q179-I248 PolarHBondContact O-N 3.14Å | ||
| 180 | I | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.5 | -178.7 | -44 | 172.9 | 0 | 0 | 0 | 109.7 | L170 W173 N174 K178 F196 S197 H198 I248 I250 | L170-I180 HydrophobicContact CD2-CD1 4.43Å; L170-I180 HydrophobicContact CD2-CG2 4.45Å; W173-I180 HydrophobicContact CB-CD1 3.53Å; W173-I180 HydrophobicContact CB-CG1 4.11Å; W173-I180 HydrophobicContact CE3-CD1 4.15Å; W173-I180 HydrophobicContact CG-CD1 4.48Å; N174-I180 HydrophobicContact CB-CD1 4.46Å; K178-I180 PolarHBondContact O-N 2.99Å; I180-F196 HydrophobicContact CB-CD1 4.41Å; I180-F196 HydrophobicContact CG2-CD1 3.77Å; I180-F196 HydrophobicContact CG2-CE1 4.14Å; I180-S197 PolarHBondContact N-OG 2.95Å; I180-S197 PolarHBondContact O-N 3.4Å; I180-S197 PolarHBondContact O-OG 3.37Å; I180-H198 PolarHBondContact O-N 3.16Å; I180-I248 WeakPolarHBondContact CA-O 3.44Å; I180-I248 HydrophobicContact CG1-CD1 4.14Å; I180-I248 HydrophobicContact CG2-CB 4.26Å; I180-I248 HydrophobicContact CG2-CG2 4.12Å; I180-I250 HydrophobicContact CG2-CD1 4.12Å |
| 181 | R | 95 | Very high | 92.2 | Very high | 23 Ų | 23 | 31 Ų | 31 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.4 | 174.5 | -68.5 | -167.3 | -172.9 | -171.1 | 10.9 | 110.9 | H198 Y220 Q243 H245 W246 I248 L249 I250 | R181-H198 VanDerWaalsContact CA-O 3.32Å; R181-H198 WeakPolarHBondContact CA-O 3.47Å; R181-H198 HydrophobicContact CG-CB 4.41Å; R181-Y220 HydrophobicContact CB-CE1 4.23Å; R181-Q243 PolarHBondContact NH1-O 3Å; R181-Q243 PolarHBondContact NH2-O 3Å; R181-H245 PolarHBondContact NH2-O 3.35Å; R181-W246 HydrophobicContact CG-CB 3.96Å; R181-I248 PolarHBondContact N-O 3Å; R181-L249 HydrophobicContact CB-CD1 3.82Å; R181-I250 PolarHBondContact O-N 3.13Å |
| 182 | F | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.6 | -179.6 | 173.1 | -103.8 | 0 | 0 | 0 | 112.9 | D185 W188 I189 F196 H198 Y199 K200 I250 H252 | F182-D185 WeakPolarHBondContact CE1-O 3.47Å; F182-D185 WeakPolarHBondContact CZ-O 3.16Å; F182-W188 HydrophobicContact CD1-CB 4.41Å; F182-W188 HydrophobicContact CD2-CD2 4.38Å; F182-W188 HydrophobicContact CD2-CG 4.27Å; F182-W188 HydrophobicContact CE1-CB 3.84Å; F182-W188 HydrophobicContact CE1-CG 4.27Å; F182-W188 HydrophobicContact CE2-CB 3.95Å; F182-W188 AromaticContact CE2-CD1 3.49Å; F182-W188 VanDerWaalsContact CE2-CD1 3.49Å; F182-W188 AromaticContact CE2-CD2 3.88Å; F182-W188 HydrophobicContact CE2-CD2 3.88Å; F182-W188 AromaticContact CE2-CG 3.51Å; F182-W188 HydrophobicContact CE2-CG 3.51Å; F182-W188 AromaticContact CE2-NE1 3.79Å; F182-W188 HydrophobicContact CZ-CB 3.59Å; F182-W188 AromaticContact CZ-CD1 3.41Å; F182-W188 VanDerWaalsContact CZ-CD1 3.41Å; F182-W188 HydrophobicContact CZ-CD2 4.37Å; F182-W188 AromaticContact CZ-CG 3.53Å; F182-W188 HydrophobicContact CZ-CG 3.53Å; F182-I189 HydrophobicContact CD1-CD1 3.96Å; F182-I189 HydrophobicContact CE1-CD1 4.29Å; F182-F196 HydrophobicContact CB-CD1 3.4Å; F182-F196 VanDerWaalsContact CB-CD1 3.4Å; F182-F196 HydrophobicContact CB-CE1 3.55Å; F182-F196 HydrophobicContact CB-CG 3.93Å; F182-F196 HydrophobicContact CB-CZ 4.19Å; F182-F196 HydrophobicContact CD2-CE1 4.33Å; F182-F196 HydrophobicContact CD2-CZ 4.5Å; F182-F196 HydrophobicContact CG-CD1 4.26Å; F182-F196 AromaticContact CG-CE1 3.99Å; F182-F196 HydrophobicContact CG-CE1 3.99Å; F182-F196 HydrophobicContact CG-CZ 4.18Å; F182-H198 PolarHBondContact N-O 2.87Å; F182-Y199 CarbonylContact O-C 3.59Å; F182-Y199 WeakPolarHBondContact O-CA 3.21Å; F182-K200 PolarHBondContact O-N 3.32Å; F182-I250 CarbonylContact C-O 3.59Å; F182-I250 WeakPolarHBondContact CA-O 3.4Å; F182-I250 HydrophobicContact CD2-CB 3.93Å; F182-I250 HydrophobicContact CD2-CG2 3.77Å; F182-I250 HydrophobicContact CE2-CG2 4.18Å; F182-H252 HydrophobicContact CE2-CB 4.09Å; F182-H252 HydrophobicContact CZ-CB 4.37Å |
| 183 | V | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 140.7 | 167.6 | 58 | 0 | 0 | 0 | 0 | 110.1 | K200 Y202 V217 Y220 F221 I250 G251 H252 | V183-K200 VanDerWaalsContact CA-O 3.28Å; V183-K200 WeakPolarHBondContact CA-O 3.09Å; V183-K200 HydrophobicContact CG2-CB 4.2Å; V183-Y202 HydrophobicContact CG2-CD2 4.45Å; V183-Y202 HydrophobicContact CG2-CE2 3.85Å; V183-V217 HydrophobicContact CG1-CB 4.25Å; V183-V217 HydrophobicContact CG1-CG1 4.1Å; V183-V217 HydrophobicContact CG1-CG2 4.14Å; V183-V217 HydrophobicContact CG2-CG2 4.11Å; V183-Y220 HydrophobicContact CB-CD1 3.67Å; V183-Y220 HydrophobicContact CB-CD2 4.29Å; V183-Y220 HydrophobicContact CB-CE1 4.19Å; V183-Y220 HydrophobicContact CB-CG 3.72Å; V183-Y220 HydrophobicContact CG1-CD1 3.42Å; V183-Y220 VanDerWaalsContact CG1-CD1 3.42Å; V183-Y220 HydrophobicContact CG1-CE1 4.15Å; V183-Y220 HydrophobicContact CG1-CG 3.82Å; V183-Y220 HydrophobicContact CG2-CD1 4.42Å; V183-Y220 HydrophobicContact CG2-CD2 4.46Å; V183-Y220 HydrophobicContact CG2-CG 3.99Å; V183-F221 HydrophobicContact CG1-CD2 3.75Å; V183-F221 HydrophobicContact CG1-CE2 3.65Å; V183-I250 PolarHBondContact N-O 3.09Å; V183-G251 CarbonylContact O-C 3.42Å; V183-G251 VanDerWaalsContact O-CA 3.26Å; V183-G251 WeakPolarHBondContact O-CA 3.4Å; V183-H252 PolarHBondContact O-N 2.92Å |
| 184 | G | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -145.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E186 K200 A201 Y202 H252 | G184-E186 PolarHBondContact O-N 3.48Å; G184-K200 PolarHBondContact N-O 3Å; G184-K200 VanDerWaalsContact N-O 3.08Å; G184-A201 CarbonylContact O-C 3.6Å; G184-A201 WeakPolarHBondContact O-CA 3.37Å; G184-Y202 PolarHBondContact O-N 3.44Å; G184-H252 VanDerWaalsContact CA-O 3.23Å; G184-H252 WeakPolarHBondContact CA-O 3.48Å |
| 185 | D | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.5 | 124.7 | -179.6 | 179.5 | 1.2 | 0 | 0 | 0 | 114.3 | F182 T187 W188 S204 H252 L254 | F182-D185 WeakPolarHBondContact CE1-O 3.47Å; F182-D185 WeakPolarHBondContact CZ-O 3.16Å; D185-T187 VanDerWaalsContact CG-OG1 3.31Å; D185-T187 PolarHBondContact O-N 3.39Å; D185-T187 VanDerWaalsContact O-N 3.15Å; D185-T187 VanDerWaalsContact OD1-CB 3.27Å; D185-T187 WeakPolarHBondContact OD1-CB 3.35Å; D185-T187 PolarHBondContact OD1-N 3.03Å; D185-T187 PolarHBondContact OD1-OG1 2.98Å; D185-T187 WeakPolarHBondContact OD2-CB 3.41Å; D185-T187 PolarHBondContact OD2-OG1 3.32Å; D185-W188 PolarHBondContact O-N 3.42Å; D185-S204 WeakPolarHBondContact OD1-CB 3.34Å; D185-S204 PolarHBondContact OD1-OG 3.09Å; D185-H252 HydrophobicContact CB-CB 4.27Å; D185-H252 WeakPolarHBondContact CB-ND1 3.22Å; D185-H252 IonicContact OD2-CE1 2.75Å; D185-H252 PolarHBondContact OD2-CE1 2.69Å; D185-H252 IonicContact OD2-ND1 2.68Å; D185-H252 PolarHBondContact OD2-ND1 3.28Å; D185-L254 HydrophobicContact CB-CD1 4.15Å; D185-L254 HydrophobicContact CB-CD2 4.02Å; D185-L254 HydrophobicContact CB-CG 4.3Å |
| 186 | E | 89.8 | Confident | 91.8 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.8 | 176.9 | 68 | -175.7 | 169.8 | 0 | 0 | 115.1 | G184 W188 I189 D190 A201 Y202 | G184-E186 PolarHBondContact O-N 3.48Å; E186-W188 PolarHBondContact O-N 2.95Å; E186-I189 WeakPolarHBondContact O-CA 3.15Å; E186-I189 WeakPolarHBondContact O-CB 3.5Å; E186-I189 PolarHBondContact O-N 3.26Å; E186-D190 PolarHBondContact O-N 3.36Å; E186-A201 HydrophobicContact CB-CB 3.92Å; E186-Y202 WeakPolarHBondContact CB-O 3.26Å; E186-Y202 PolarHBondContact N-O 2.83Å |
| 187 | T | 88.4 | Confident | 92 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52.7 | -30.9 | 177.7 | -53.8 | 0 | 0 | 0 | 0 | 112 | L138 L141 D185 I189 D190 L191 | L138-T187 HydrophobicContact CB-CG2 4.38Å; L138-T187 HydrophobicContact CD1-CG2 4.35Å; L138-T187 HydrophobicContact CG-CG2 4.43Å; L141-T187 HydrophobicContact CD1-CG2 3.88Å; D185-T187 VanDerWaalsContact CG-OG1 3.31Å; D185-T187 PolarHBondContact O-N 3.39Å; D185-T187 VanDerWaalsContact O-N 3.15Å; D185-T187 VanDerWaalsContact OD1-CB 3.27Å; D185-T187 WeakPolarHBondContact OD1-CB 3.35Å; D185-T187 PolarHBondContact OD1-N 3.03Å; D185-T187 PolarHBondContact OD1-OG1 2.98Å; D185-T187 WeakPolarHBondContact OD2-CB 3.41Å; D185-T187 PolarHBondContact OD2-OG1 3.32Å; T187-I189 PolarHBondContact O-N 2.89Å; T187-D190 PolarHBondContact O-N 2.68Å; T187-L191 HydrophobicContact CG2-CD1 3.94Å; T187-L191 HydrophobicContact CG2-CG 4.24Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 VanDerWaalsContact O-CG 3.24Å; T187-L191 WeakPolarHBondContact O-CG 3.25Å; T187-L191 PolarHBondContact O-N 2.84Å |
| 188 | W | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.1 | -76.8 | 83.5 | 0 | 0 | 0 | 113.5 | L82 L141 M145 L170 F182 D185 E186 F192 F196 I250 H252 | L82-W188 HydrophobicContact CD2-CZ2 3.97Å; L141-W188 HydrophobicContact CD1-CG 4.31Å; L141-W188 HydrophobicContact CD2-CD2 4.39Å; L141-W188 VanDerWaalsContact CD2-CE2 3.49Å; L141-W188 HydrophobicContact CD2-CH2 4.38Å; L141-W188 HydrophobicContact CD2-CZ2 3.51Å; M145-W188 HydrophobicContact CE-CH2 3.99Å; M145-W188 HydrophobicContact CE-CZ3 4.4Å; M145-W188 HydrophobicContact CG-CH2 4.3Å; M145-W188 HydrophobicContact CG-CZ3 3.94Å; M145-W188 HydrophobicContact SD-CH2 4.14Å; M145-W188 HydrophobicContact SD-CZ3 3.93Å; L170-W188 HydrophobicContact CD1-CE3 4.04Å; L170-W188 HydrophobicContact CD1-CZ3 3.94Å; L170-W188 HydrophobicContact CD2-CZ3 4.39Å; F182-W188 HydrophobicContact CD1-CB 4.41Å; F182-W188 HydrophobicContact CD2-CD2 4.38Å; F182-W188 HydrophobicContact CD2-CG 4.27Å; F182-W188 HydrophobicContact CE1-CB 3.84Å; F182-W188 HydrophobicContact CE1-CG 4.27Å; F182-W188 HydrophobicContact CE2-CB 3.95Å; F182-W188 AromaticContact CE2-CD1 3.49Å; F182-W188 VanDerWaalsContact CE2-CD1 3.49Å; F182-W188 AromaticContact CE2-CD2 3.88Å; F182-W188 HydrophobicContact CE2-CD2 3.88Å; F182-W188 AromaticContact CE2-CG 3.51Å; F182-W188 HydrophobicContact CE2-CG 3.51Å; F182-W188 AromaticContact CE2-NE1 3.79Å; F182-W188 HydrophobicContact CZ-CB 3.59Å; F182-W188 AromaticContact CZ-CD1 3.41Å; F182-W188 VanDerWaalsContact CZ-CD1 3.41Å; F182-W188 HydrophobicContact CZ-CD2 4.37Å; F182-W188 AromaticContact CZ-CG 3.53Å; F182-W188 HydrophobicContact CZ-CG 3.53Å; D185-W188 PolarHBondContact O-N 3.42Å; E186-W188 PolarHBondContact O-N 2.95Å; W188-F192 AromaticContact CE3-CD2 3.99Å; W188-F192 HydrophobicContact CE3-CD2 3.99Å; W188-F192 HydrophobicContact CE3-CE2 4.25Å; W188-F192 WeakPolarHBondContact O-CA 3.32Å; W188-F192 WeakPolarHBondContact O-CB 3.41Å; W188-F192 PolarHBondContact O-N 2.83Å; W188-F196 HydrophobicContact CB-CE2 4.41Å; W188-F196 HydrophobicContact CB-CZ 4.25Å; W188-F196 AromaticContact CE3-CZ 3.88Å; W188-F196 HydrophobicContact CE3-CZ 3.88Å; W188-I250 HydrophobicContact CH2-CD1 4.48Å; W188-I250 HydrophobicContact CH2-CG2 4.07Å; W188-I250 HydrophobicContact CZ2-CG2 4.06Å; W188-I250 HydrophobicContact CZ3-CD1 4.32Å; W188-H252 AromaticContact CD1-ND1 3.59Å; W188-H252 AromaticContact NE1-CG 3.61Å; W188-H252 AromaticContact NE1-ND1 3.13Å; W188-H252 PolarHBondContact NE1-ND1 3.37Å; W188-H252 VanDerWaalsContact NE1-ND1 3.13Å |
| 189 | I | 90.7 | Very high | 92.1 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74 | -37.1 | -179.1 | -53.9 | -51.5 | 0 | 0 | 0 | 110.5 | F182 E186 T187 P193 F196 Y199 A201 | F182-I189 HydrophobicContact CD1-CD1 3.96Å; F182-I189 HydrophobicContact CE1-CD1 4.29Å; E186-I189 WeakPolarHBondContact O-CA 3.15Å; E186-I189 WeakPolarHBondContact O-CB 3.5Å; E186-I189 PolarHBondContact O-N 3.26Å; T187-I189 PolarHBondContact O-N 2.89Å; I189-P193 WeakPolarHBondContact O-CA 3.45Å; I189-P193 WeakPolarHBondContact O-CD 3.48Å; I189-F196 HydrophobicContact CD1-CD2 3.62Å; I189-F196 HydrophobicContact CD1-CE2 3.72Å; I189-Y199 HydrophobicContact CD1-CD1 4.24Å; I189-Y199 HydrophobicContact CD1-CD2 3.43Å; I189-Y199 VanDerWaalsContact CD1-CD2 3.43Å; I189-Y199 HydrophobicContact CD1-CE2 3.82Å; I189-Y199 HydrophobicContact CD1-CG 3.68Å; I189-Y199 HydrophobicContact CG1-CD2 3.83Å; I189-Y199 HydrophobicContact CG1-CE2 3.89Å; I189-Y199 HydrophobicContact CG2-CE2 4.24Å; I189-A201 HydrophobicContact CG1-CB 3.8Å |
| 190 | D | 86.3 | Confident | 92.1 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 39% | 0.385 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 174.6 | -74.3 | -10.2 | 0 | 0 | 0 | 111.7 | K163 E186 T187 | K163-D190 WeakPolarHBondContact CA-O 3.28Å; E186-D190 PolarHBondContact O-N 3.36Å; T187-D190 PolarHBondContact O-N 2.68Å |
| 191 | L | 89.5 | Confident | 91.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.4 | -41.2 | -180 | -67.9 | 176.4 | 0 | 0 | 0 | 113 | L138 L141 N162 V164 T187 P193 | L138-L191 HydrophobicContact CD1-CD2 4.04Å; L138-L191 HydrophobicContact CD2-CD2 4.21Å; L138-L191 HydrophobicContact CG-CD1 4.13Å; L138-L191 HydrophobicContact CG-CD2 3.92Å; L138-L191 HydrophobicContact CG-CG 4.46Å; L141-L191 HydrophobicContact CB-CD1 3.88Å; L141-L191 HydrophobicContact CD1-CD1 4.18Å; N162-L191 WeakPolarHBondContact O-CD2 3.32Å; V164-L191 HydrophobicContact CG2-CB 4.08Å; V164-L191 HydrophobicContact CG2-CD2 3.93Å; V164-L191 PolarHBondContact N-O 2.81Å; T187-L191 HydrophobicContact CG2-CD1 3.94Å; T187-L191 HydrophobicContact CG2-CG 4.24Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 VanDerWaalsContact O-CG 3.24Å; T187-L191 WeakPolarHBondContact O-CG 3.25Å; T187-L191 PolarHBondContact O-N 2.84Å; L191-P193 WeakPolarHBondContact O-CD 3.42Å |
| 192 | F | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -127.6 | 58.9 | -171.1 | -50.8 | -74.5 | 0 | 0 | 0 | 112.3 | M145 V164 N168 L170 W188 C195 F196 | M145-F192 HydrophobicContact CB-CE1 4.12Å; M145-F192 HydrophobicContact CB-CE2 4.35Å; M145-F192 HydrophobicContact CB-CZ 3.68Å; M145-F192 HydrophobicContact CG-CE2 4.03Å; M145-F192 HydrophobicContact CG-CZ 3.88Å; V164-F192 HydrophobicContact CB-CD1 4.14Å; V164-F192 HydrophobicContact CB-CE1 3.73Å; V164-F192 HydrophobicContact CB-CZ 4.47Å; V164-F192 HydrophobicContact CG1-CE1 4.02Å; V164-F192 HydrophobicContact CG2-CD1 4.48Å; V164-F192 HydrophobicContact CG2-CE1 3.86Å; V164-F192 HydrophobicContact CG2-CZ 4.1Å; N168-F192 HydrophobicContact CB-CE1 4.31Å; L170-F192 HydrophobicContact CD1-CB 3.58Å; L170-F192 HydrophobicContact CD1-CD1 3.97Å; L170-F192 HydrophobicContact CD1-CD2 3.61Å; L170-F192 HydrophobicContact CD1-CE2 4.24Å; L170-F192 HydrophobicContact CD1-CG 3.45Å; L170-F192 VanDerWaalsContact CD1-CG 3.45Å; W188-F192 AromaticContact CE3-CD2 3.99Å; W188-F192 HydrophobicContact CE3-CD2 3.99Å; W188-F192 HydrophobicContact CE3-CE2 4.25Å; W188-F192 WeakPolarHBondContact O-CA 3.32Å; W188-F192 WeakPolarHBondContact O-CB 3.41Å; W188-F192 PolarHBondContact O-N 2.83Å; F192-C195 HydrophobicContact CB-CB 4.34Å; F192-F196 HydrophobicContact CB-CE2 4.38Å |
| 193 | P | 88.1 | Confident | 90.9 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 150 | 176.8 | 28.2 | -34.7 | 0 | 0 | 0 | 110 | K163 I189 L191 C195 | K163-P193 HydrophobicContact CB-CG 4.36Å; K163-P193 HydrophobicContact CD-CG 3.5Å; K163-P193 VanDerWaalsContact CD-CG 3.5Å; K163-P193 HydrophobicContact CG-CG 3.78Å; I189-P193 WeakPolarHBondContact O-CA 3.45Å; I189-P193 WeakPolarHBondContact O-CD 3.48Å; L191-P193 WeakPolarHBondContact O-CD 3.42Å; P193-C195 PolarHBondContact O-N 3.02Å; P193-C195 VanDerWaalsContact O-N 3.13Å |
| 194 | D | 88.1 | Confident | 89.9 | Confident | 137 Ų | 137 | 38.6 Ų | 38.6 | 73% | 0.733 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 5.6 | 176 | -39.8 | -53.4 | 0 | 0 | 0 | 115.7 | K163 N174 | K163-D194 IonicContact NZ-OD2 3.69Å; N174-D194 PolarHBondContact ND2-O 3.25Å |
| 195 | C | 91.7 | Very high | 88.8 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | trans | -85.9 | -26 | -178.8 | -65.9 | 0 | 0 | 0 | 0 | 113.3 | L170 N174 F192 P193 | L170-C195 HydrophobicContact CB-CB 3.95Å; L170-C195 HydrophobicContact CD1-CB 4.49Å; N174-C195 PolarHBondContact ND2-O 2.87Å; F192-C195 HydrophobicContact CB-CB 4.34Å; P193-C195 PolarHBondContact O-N 3.02Å; P193-C195 VanDerWaalsContact O-N 3.13Å | ||
| 196 | F | 94.3 | Very high | 87.9 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | trans | -94 | 135.9 | -173.2 | -54.8 | -76 | 0 | 0 | 0 | 112.4 | L170 I180 F182 W188 I189 F192 Y199 I250 | L170-F196 HydrophobicContact CD1-CE1 4.28Å; L170-F196 HydrophobicContact CD1-CZ 3.86Å; L170-F196 HydrophobicContact CD2-CE1 4.14Å; I180-F196 HydrophobicContact CB-CD1 4.41Å; I180-F196 HydrophobicContact CG2-CD1 3.77Å; I180-F196 HydrophobicContact CG2-CE1 4.14Å; F182-F196 HydrophobicContact CB-CD1 3.4Å; F182-F196 VanDerWaalsContact CB-CD1 3.4Å; F182-F196 HydrophobicContact CB-CE1 3.55Å; F182-F196 HydrophobicContact CB-CG 3.93Å; F182-F196 HydrophobicContact CB-CZ 4.19Å; F182-F196 HydrophobicContact CD2-CE1 4.33Å; F182-F196 HydrophobicContact CD2-CZ 4.5Å; F182-F196 HydrophobicContact CG-CD1 4.26Å; F182-F196 AromaticContact CG-CE1 3.99Å; F182-F196 HydrophobicContact CG-CE1 3.99Å; F182-F196 HydrophobicContact CG-CZ 4.18Å; W188-F196 HydrophobicContact CB-CE2 4.41Å; W188-F196 HydrophobicContact CB-CZ 4.25Å; W188-F196 AromaticContact CE3-CZ 3.88Å; W188-F196 HydrophobicContact CE3-CZ 3.88Å; I189-F196 HydrophobicContact CD1-CD2 3.62Å; I189-F196 HydrophobicContact CD1-CE2 3.72Å; F192-F196 HydrophobicContact CB-CE2 4.38Å; F196-Y199 HydrophobicContact CB-CD1 4.09Å; F196-Y199 HydrophobicContact CB-CG 4.46Å; F196-I250 HydrophobicContact CE1-CD1 4.36Å | ||
| 197 | S | 91.3 | Very high | 87.4 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -73 | -34.9 | 174.7 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | I180 | I180-S197 PolarHBondContact N-OG 2.95Å; I180-S197 PolarHBondContact O-N 3.4Å; I180-S197 PolarHBondContact O-OG 3.37Å |
| 198 | H | 90.5 | Very high | 86.8 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.7 | 172.8 | -170 | 100.7 | 0 | 0 | 0 | 108.1 | I180 R181 F182 Y220 | I180-H198 PolarHBondContact O-N 3.16Å; R181-H198 VanDerWaalsContact CA-O 3.32Å; R181-H198 WeakPolarHBondContact CA-O 3.47Å; R181-H198 HydrophobicContact CG-CB 4.41Å; F182-H198 PolarHBondContact N-O 2.87Å; H198-Y220 AromaticContact CD2-CE2 3.71Å; H198-Y220 AromaticContact CD2-CZ 3.85Å; H198-Y220 PolarHBondContact CD2-OH 2.82Å; H198-Y220 AromaticContact NE2-CE2 3.95Å |
| 199 | Y | 92.9 | Very high | 86.3 | Confident | 121 Ų | 121 | 47.3 Ų | 47.3 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.4 | 178.9 | 70.2 | -89.7 | 0 | 0 | 0 | 113.5 | F182 I189 F196 A201 | F182-Y199 CarbonylContact O-C 3.59Å; F182-Y199 WeakPolarHBondContact O-CA 3.21Å; I189-Y199 HydrophobicContact CD1-CD1 4.24Å; I189-Y199 HydrophobicContact CD1-CD2 3.43Å; I189-Y199 VanDerWaalsContact CD1-CD2 3.43Å; I189-Y199 HydrophobicContact CD1-CE2 3.82Å; I189-Y199 HydrophobicContact CD1-CG 3.68Å; I189-Y199 HydrophobicContact CG1-CD2 3.83Å; I189-Y199 HydrophobicContact CG1-CE2 3.89Å; I189-Y199 HydrophobicContact CG2-CE2 4.24Å; F196-Y199 HydrophobicContact CB-CD1 4.09Å; F196-Y199 HydrophobicContact CB-CG 4.46Å; Y199-A201 HydrophobicContact CD2-CB 4.36Å |
| 200 | K | 91.9 | Very high | 86.2 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 20% | 0.2 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 103.8 | 168.1 | -172.2 | 174.6 | -171.8 | 179 | 0 | 110.5 | F182 V183 G184 Y202 Y220 | F182-K200 PolarHBondContact O-N 3.32Å; V183-K200 VanDerWaalsContact CA-O 3.28Å; V183-K200 WeakPolarHBondContact CA-O 3.09Å; V183-K200 HydrophobicContact CG2-CB 4.2Å; G184-K200 PolarHBondContact N-O 3Å; G184-K200 VanDerWaalsContact N-O 3.08Å; K200-Y202 HydrophobicContact CD-CE2 4.03Å; K200-Y202 WeakPolarHBondContact CE-OH 3.46Å; K200-Y202 HydrophobicContact CG-CE2 3.86Å; K200-Y202 PolarHBondContact NZ-OH 2.99Å; K200-Y220 HydrophobicContact CB-CD2 4.43Å |
| 201 | A | 91.7 | Very high | 86.5 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 146.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G184 E186 I189 Y199 | G184-A201 CarbonylContact O-C 3.6Å; G184-A201 WeakPolarHBondContact O-CA 3.37Å; E186-A201 HydrophobicContact CB-CB 3.92Å; I189-A201 HydrophobicContact CG1-CB 3.8Å; Y199-A201 HydrophobicContact CD2-CB 4.36Å |
| 202 | Y | 89.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.2 | 173.5 | -67 | -94 | 0 | 0 | 0 | 109.2 | V183 G184 E186 K200 T212 V213 G216 | V183-Y202 HydrophobicContact CG2-CD2 4.45Å; V183-Y202 HydrophobicContact CG2-CE2 3.85Å; G184-Y202 PolarHBondContact O-N 3.44Å; E186-Y202 WeakPolarHBondContact CB-O 3.26Å; E186-Y202 PolarHBondContact N-O 2.83Å; K200-Y202 HydrophobicContact CD-CE2 4.03Å; K200-Y202 WeakPolarHBondContact CE-OH 3.46Å; K200-Y202 HydrophobicContact CG-CE2 3.86Å; K200-Y202 PolarHBondContact NZ-OH 2.99Å; Y202-T212 HydrophobicContact CD1-CG2 4.17Å; Y202-T212 HydrophobicContact CE1-CG2 4.21Å; Y202-V213 HydrophobicContact CD2-CG1 4.48Å; Y202-V213 HydrophobicContact CG-CG1 4.46Å; Y202-V213 HydrophobicContact CG-CG2 4.35Å; Y202-G216 WeakPolarHBondContact OH-CA 3.28Å |
| 203 | S | 82.2 | Confident | 86.7 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 32% | 0.315 | 25% | 0.252 | S | S | . | . | trans | -69.7 | 145.2 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | D919 | S203-D919 WeakPolarHBondContact CB-OD2 3.39Å; S203-D919 PolarHBondContact OG-OD2 3.27Å | ||
| 204 | S | 76 | Confident | 87.1 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | trans | -108.2 | -9.9 | -169.9 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | D185 H258 | D185-S204 WeakPolarHBondContact OD1-CB 3.34Å; D185-S204 PolarHBondContact OD1-OG 3.09Å; S204-H258 PolarHBondContact O-NE2 2.91Å; S204-H258 VanDerWaalsContact O-NE2 3.1Å | ||
| 205 | F | 72.3 | Confident | 87.5 | Confident | 97 Ų | 97 | 45.5 Ų | 45.5 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | trans | -87 | -23.2 | -167.8 | -75.9 | -69.2 | 0 | 0 | 0 | 113.9 | V207 Y913 D919 | F205-V207 PolarHBondContact O-N 2.81Å; F205-Y913 WeakPolarHBondContact CB-OH 3.36Å; F205-Y913 PolarHBondContact O-OH 3.02Å; F205-D919 WeakPolarHBondContact CB-OD1 3.12Å | ||
| 206 | N | 74.8 | Confident | 87.6 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | trans | -77.8 | 82.2 | 179.5 | -174.4 | 12.7 | 0 | 0 | 0 | 112.4 | K208 D209 H258 | N206-K208 PolarHBondContact O-N 3.48Å; N206-K208 PolarHBondContact OD1-N 2.99Å; N206-D209 HydrophobicContact CB-CB 4.4Å; N206-D209 PolarHBondContact O-N 3.47Å; N206-H258 PolarHBondContact O-CE1 2.69Å; N206-H258 PolarHBondContact O-ND1 2.86Å | ||
| 207 | V | 78.1 | Confident | 87.8 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -20 | 178.9 | -62 | 0 | 0 | 0 | 0 | 114.2 | F205 D209 H258 H261 T262 | F205-V207 PolarHBondContact O-N 2.81Å; V207-D209 VanDerWaalsContact C-N 3.35Å; V207-H258 WeakPolarHBondContact O-CB 3.32Å; V207-H261 HydrophobicContact CB-CB 4.25Å; V207-H261 HydrophobicContact CG1-CB 4.24Å; V207-T262 PolarHBondContact O-OG1 3.19Å |
| 208 | K | 76 | Confident | 88 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 24% | 0.239 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.6 | 176.3 | -69.3 | -168.1 | 170.6 | -156.1 | 0 | 113.5 | N206 L210 E744 H758 | N206-K208 PolarHBondContact O-N 3.48Å; N206-K208 PolarHBondContact OD1-N 2.99Å; K208-L210 PolarHBondContact O-N 3.44Å; K208-E744 VanDerWaalsContact NZ-CD 3.32Å; K208-E744 IonicContact NZ-OE1 2.97Å; K208-E744 PolarHBondContact NZ-OE1 3.36Å; K208-E744 IonicContact NZ-OE2 2.95Å; K208-E744 PolarHBondContact NZ-OE2 3.41Å; K208-H758 PolarHBondContact NZ-CE1 3.35Å; K208-H758 VanDerWaalsContact NZ-CE1 3.29Å; K208-H758 PolarHBondContact NZ-ND1 3.48Å |
| 209 | D | 82.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | trans | -83.6 | 104 | 174 | -173.1 | -7.7 | 0 | 0 | 0 | 109.6 | N206 V207 D211 T212 H258 | N206-D209 HydrophobicContact CB-CB 4.4Å; N206-D209 PolarHBondContact O-N 3.47Å; V207-D209 VanDerWaalsContact C-N 3.35Å; D209-D211 PolarHBondContact OD1-N 2.97Å; D209-T212 VanDerWaalsContact CG-OG1 3.28Å; D209-T212 PolarHBondContact OD1-N 3.25Å; D209-T212 PolarHBondContact OD1-OG1 2.77Å; D209-T212 WeakPolarHBondContact OD2-CB 3.33Å; D209-T212 PolarHBondContact OD2-OG1 2.84Å; D209-H258 PolarHBondContact O-ND1 3.33Å | ||
| 210 | L | 89.7 | Confident | 88.1 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -90.4 | -5.6 | -179.6 | -54.9 | -167.3 | 0 | 0 | 0 | 113.4 | K208 G255 H258 C259 Y263 E269 K273 | K208-L210 PolarHBondContact O-N 3.44Å; L210-G255 WeakPolarHBondContact O-CA 3.4Å; L210-H258 VanDerWaalsContact CD2-C 3.46Å; L210-H258 HydrophobicContact CD2-CB 3.56Å; L210-C259 HydrophobicContact CD1-CB 3.99Å; L210-C259 HydrophobicContact CD2-CB 4.08Å; L210-Y263 HydrophobicContact CD1-CD2 4.11Å; L210-Y263 HydrophobicContact CD1-CE2 3.76Å; L210-E269 HydrophobicContact CD1-CB 4.35Å; L210-K273 HydrophobicContact CB-CD 4.13Å; L210-K273 HydrophobicContact CD1-CG 4.48Å; L210-K273 WeakPolarHBondContact O-CE 3.28Å; L210-K273 PolarHBondContact O-NZ 3.22Å |
| 211 | D | 92.8 | Very high | 88.3 | Confident | 29 Ų | 29 | 38 Ų | 38 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -135.9 | -29.7 | -158.9 | -56.3 | -32.8 | 0 | 0 | 0 | 115.3 | D209 V213 D214 R215 R272 K273 | D209-D211 PolarHBondContact OD1-N 2.97Å; D211-V213 PolarHBondContact O-N 3.3Å; D211-D214 PolarHBondContact O-N 2.8Å; D211-R215 VanDerWaalsContact O-CB 3.25Å; D211-R215 WeakPolarHBondContact O-CB 3.49Å; D211-R215 VanDerWaalsContact O-CG 3.3Å; D211-R215 WeakPolarHBondContact O-CG 3.45Å; D211-R215 PolarHBondContact O-N 2.67Å; D211-R215 IonicContact OD2-CZ 4Å; D211-R215 IonicContact OD2-NH1 3.84Å; D211-R215 PolarHBondContact OD2-NH1 3.29Å; D211-R215 IonicContact OD2-NH2 2.8Å; D211-R215 PolarHBondContact OD2-NH2 2.9Å; D211-R272 IonicContact OD1-CZ 2.8Å; D211-R272 IonicContact OD1-NH1 2.94Å; D211-R272 PolarHBondContact OD1-NH1 3.16Å; D211-R272 IonicContact OD1-NH2 3.5Å; D211-R272 PolarHBondContact OD1-NH2 3.48Å; D211-R272 IonicContact OD2-NH1 3.63Å; D211-K273 IonicContact OD1-NZ 3.63Å |
| 212 | T | 90.9 | Very high | 88.2 | Confident | 65 Ų | 65 | 38.1 Ų | 38.1 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | -173.7 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | Y202 D209 G216 | Y202-T212 HydrophobicContact CD1-CG2 4.17Å; Y202-T212 HydrophobicContact CE1-CG2 4.21Å; D209-T212 VanDerWaalsContact CG-OG1 3.28Å; D209-T212 PolarHBondContact OD1-N 3.25Å; D209-T212 PolarHBondContact OD1-OG1 2.77Å; D209-T212 WeakPolarHBondContact OD2-CB 3.33Å; D209-T212 PolarHBondContact OD2-OG1 2.84Å; T212-G216 PolarHBondContact O-N 2.95Å |
| 213 | V | 94 | Very high | 88 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -51.8 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 110 | Y202 D211 R215 G216 V217 L254 | Y202-V213 HydrophobicContact CD2-CG1 4.48Å; Y202-V213 HydrophobicContact CG-CG1 4.46Å; Y202-V213 HydrophobicContact CG-CG2 4.35Å; D211-V213 PolarHBondContact O-N 3.3Å; V213-R215 PolarHBondContact O-N 2.88Å; V213-G216 CarbonylContact O-C 3.52Å; V213-G216 WeakPolarHBondContact O-CA 3.44Å; V213-G216 PolarHBondContact O-N 2.87Å; V213-V217 WeakPolarHBondContact O-CG2 3.46Å; V213-V217 PolarHBondContact O-N 2.94Å; V213-L254 HydrophobicContact CG1-CD1 4.32Å; V213-L254 HydrophobicContact CG1-CG 4.18Å; V213-L254 HydrophobicContact CG2-CD1 4.16Å |
| 214 | D | 97.5 | Very high | 88.3 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | -179.6 | -72.7 | 17.6 | 0 | 0 | 0 | 112.2 | D211 G216 V217 E218 M253 L254 G255 K273 | D211-D214 PolarHBondContact O-N 2.8Å; D214-G216 PolarHBondContact O-N 2.79Å; D214-V217 WeakPolarHBondContact O-CB 3.35Å; D214-V217 PolarHBondContact O-N 2.93Å; D214-V217 VanDerWaalsContact O-N 3.16Å; D214-E218 WeakPolarHBondContact O-CG 3.48Å; D214-E218 PolarHBondContact O-N 3.47Å; D214-M253 HydrophobicContact CB-CE 3.53Å; D214-M253 VanDerWaalsContact CG-CE 3.45Å; D214-M253 WeakPolarHBondContact OD1-CB 3.45Å; D214-L254 PolarHBondContact OD1-N 3.44Å; D214-G255 PolarHBondContact OD1-N 2.91Å; D214-G255 WeakPolarHBondContact OD2-CA 3.36Å; D214-G255 PolarHBondContact OD2-N 2.94Å; D214-K273 WeakPolarHBondContact OD2-CE 3.34Å; D214-K273 IonicContact OD2-NZ 3.95Å; D214-K273 PolarHBondContact OD2-NZ 2.98Å |
| 215 | R | 96.4 | Very high | 89 | Confident | 120 Ų | 120 | 37.6 Ų | 37.6 | 45% | 0.453 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.2 | -33.3 | 174.8 | -72.1 | -169.5 | -76.7 | -109.8 | 3.4 | 111.9 | D211 V213 N219 | D211-R215 VanDerWaalsContact O-CB 3.25Å; D211-R215 WeakPolarHBondContact O-CB 3.49Å; D211-R215 VanDerWaalsContact O-CG 3.3Å; D211-R215 WeakPolarHBondContact O-CG 3.45Å; D211-R215 PolarHBondContact O-N 2.67Å; D211-R215 IonicContact OD2-CZ 4Å; D211-R215 IonicContact OD2-NH1 3.84Å; D211-R215 PolarHBondContact OD2-NH1 3.29Å; D211-R215 IonicContact OD2-NH2 2.8Å; D211-R215 PolarHBondContact OD2-NH2 2.9Å; V213-R215 PolarHBondContact O-N 2.88Å; R215-N219 WeakPolarHBondContact O-CB 3.35Å; R215-N219 VanDerWaalsContact O-CG 3.29Å; R215-N219 PolarHBondContact O-N 2.76Å; R215-N219 VanDerWaalsContact O-N 3.08Å; R215-N219 PolarHBondContact O-ND2 3.39Å |
| 216 | G | 94.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y202 T212 V213 D214 Y220 | Y202-G216 WeakPolarHBondContact OH-CA 3.28Å; T212-G216 PolarHBondContact O-N 2.95Å; V213-G216 CarbonylContact O-C 3.52Å; V213-G216 WeakPolarHBondContact O-CA 3.44Å; V213-G216 PolarHBondContact O-N 2.87Å; D214-G216 PolarHBondContact O-N 2.79Å; G216-Y220 VanDerWaalsContact O-CB 3.28Å; G216-Y220 WeakPolarHBondContact O-CB 3.45Å; G216-Y220 PolarHBondContact O-N 3.13Å |
| 217 | V | 97.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L81 V183 V213 D214 N219 Y220 F221 M253 F280 | L81-V217 HydrophobicContact CD1-CG1 4.1Å; V183-V217 HydrophobicContact CG1-CB 4.25Å; V183-V217 HydrophobicContact CG1-CG1 4.1Å; V183-V217 HydrophobicContact CG1-CG2 4.14Å; V183-V217 HydrophobicContact CG2-CG2 4.11Å; V213-V217 WeakPolarHBondContact O-CG2 3.46Å; V213-V217 PolarHBondContact O-N 2.94Å; D214-V217 WeakPolarHBondContact O-CB 3.35Å; D214-V217 PolarHBondContact O-N 2.93Å; D214-V217 VanDerWaalsContact O-N 3.16Å; V217-N219 PolarHBondContact O-N 3.42Å; V217-Y220 PolarHBondContact O-N 2.83Å; V217-F221 HydrophobicContact CG1-CD2 3.91Å; V217-F221 HydrophobicContact CG1-CE2 3.95Å; V217-F221 WeakPolarHBondContact O-CB 3.24Å; V217-F221 WeakPolarHBondContact O-CD2 3.49Å; V217-F221 PolarHBondContact O-N 3.4Å; V217-M253 HydrophobicContact CB-CG 4.23Å; V217-M253 HydrophobicContact CG1-CG 4.01Å; V217-M253 HydrophobicContact CG2-CG 4.31Å; V217-F280 HydrophobicContact CG1-CE1 4.07Å; V217-F280 HydrophobicContact CG1-CZ 4.25Å |
| 218 | E | 96.7 | Very high | 88.6 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -53.2 | 179.3 | -74.5 | 174.1 | -164.2 | 0 | 0 | 112.3 | D214 Y220 F221 L222 F280 | D214-E218 WeakPolarHBondContact O-CG 3.48Å; D214-E218 PolarHBondContact O-N 3.47Å; E218-Y220 PolarHBondContact O-N 3.39Å; E218-F221 PolarHBondContact O-N 3.48Å; E218-L222 WeakPolarHBondContact O-CB 3.42Å; E218-L222 WeakPolarHBondContact O-CG 3.26Å; E218-L222 PolarHBondContact O-N 2.99Å; E218-F280 HydrophobicContact CB-CD2 4.3Å; E218-F280 HydrophobicContact CB-CE2 4.15Å; E218-F280 HydrophobicContact CB-CZ 4.41Å; E218-F280 HydrophobicContact CG-CB 4.28Å; E218-F280 HydrophobicContact CG-CD1 3.92Å; E218-F280 HydrophobicContact CG-CD2 3.76Å; E218-F280 HydrophobicContact CG-CE1 4.11Å; E218-F280 HydrophobicContact CG-CE2 3.98Å; E218-F280 HydrophobicContact CG-CG 3.74Å; E218-F280 HydrophobicContact CG-CZ 4.13Å |
| 219 | N | 93.4 | Very high | 87.5 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 48% | 0.476 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | -179.8 | -73.7 | -42.6 | 0 | 0 | 0 | 111.5 | R215 V217 L222 H223 | R215-N219 WeakPolarHBondContact O-CB 3.35Å; R215-N219 VanDerWaalsContact O-CG 3.29Å; R215-N219 PolarHBondContact O-N 2.76Å; R215-N219 VanDerWaalsContact O-N 3.08Å; R215-N219 PolarHBondContact O-ND2 3.39Å; V217-N219 PolarHBondContact O-N 3.42Å; N219-L222 PolarHBondContact O-N 3.2Å; N219-H223 PolarHBondContact O-CD2 2.91Å; N219-H223 PolarHBondContact O-N 3.23Å; N219-H223 VanDerWaalsContact O-N 3.08Å |
| 220 | Y | 92.4 | Very high | 86.2 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | -179.1 | -174.6 | -83.5 | 0 | 0 | 0 | 112.1 | R181 V183 H198 K200 G216 V217 E218 L222 H223 A224 L249 | R181-Y220 HydrophobicContact CB-CE1 4.23Å; V183-Y220 HydrophobicContact CB-CD1 3.67Å; V183-Y220 HydrophobicContact CB-CD2 4.29Å; V183-Y220 HydrophobicContact CB-CE1 4.19Å; V183-Y220 HydrophobicContact CB-CG 3.72Å; V183-Y220 HydrophobicContact CG1-CD1 3.42Å; V183-Y220 VanDerWaalsContact CG1-CD1 3.42Å; V183-Y220 HydrophobicContact CG1-CE1 4.15Å; V183-Y220 HydrophobicContact CG1-CG 3.82Å; V183-Y220 HydrophobicContact CG2-CD1 4.42Å; V183-Y220 HydrophobicContact CG2-CD2 4.46Å; V183-Y220 HydrophobicContact CG2-CG 3.99Å; H198-Y220 AromaticContact CD2-CE2 3.71Å; H198-Y220 AromaticContact CD2-CZ 3.85Å; H198-Y220 PolarHBondContact CD2-OH 2.82Å; H198-Y220 AromaticContact NE2-CE2 3.95Å; K200-Y220 HydrophobicContact CB-CD2 4.43Å; G216-Y220 VanDerWaalsContact O-CB 3.28Å; G216-Y220 WeakPolarHBondContact O-CB 3.45Å; G216-Y220 PolarHBondContact O-N 3.13Å; V217-Y220 PolarHBondContact O-N 2.83Å; E218-Y220 PolarHBondContact O-N 3.39Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 2.87Å; Y220-H223 PolarHBondContact O-N 3.09Å; Y220-A224 WeakPolarHBondContact O-CB 2.96Å; Y220-A224 PolarHBondContact O-N 2.84Å; Y220-L249 HydrophobicContact CD1-CD1 4.21Å; Y220-L249 HydrophobicContact CE1-CD1 3.8Å |
| 221 | F | 94.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.8 | -91.9 | -130.7 | 0 | 0 | 0 | 111.5 | I79 L81 V183 V217 E218 H223 A224 L225 L249 G251 F280 I284 | I79-F221 HydrophobicContact CG2-CD1 4.33Å; I79-F221 HydrophobicContact CG2-CE1 3.51Å; I79-F221 HydrophobicContact CG2-CZ 4.15Å; L81-F221 HydrophobicContact CD1-CE1 4.27Å; L81-F221 HydrophobicContact CD1-CZ 4.27Å; V183-F221 HydrophobicContact CG1-CD2 3.75Å; V183-F221 HydrophobicContact CG1-CE2 3.65Å; V217-F221 HydrophobicContact CG1-CD2 3.91Å; V217-F221 HydrophobicContact CG1-CE2 3.95Å; V217-F221 WeakPolarHBondContact O-CB 3.24Å; V217-F221 WeakPolarHBondContact O-CD2 3.49Å; V217-F221 PolarHBondContact O-N 3.4Å; E218-F221 PolarHBondContact O-N 3.48Å; F221-H223 VanDerWaalsContact C-N 3.33Å; F221-H223 PolarHBondContact O-N 3.49Å; F221-A224 PolarHBondContact O-N 3.23Å; F221-L225 WeakPolarHBondContact O-CB 3.22Å; F221-L225 VanDerWaalsContact O-CG 3.26Å; F221-L225 WeakPolarHBondContact O-CG 3.04Å; F221-L225 PolarHBondContact O-N 3.33Å; F221-L249 HydrophobicContact CD1-CD2 3.99Å; F221-L249 HydrophobicContact CD2-CD1 4.27Å; F221-L249 HydrophobicContact CD2-CD2 4.12Å; F221-L249 HydrophobicContact CD2-CG 4.23Å; F221-L249 HydrophobicContact CE1-CD2 4.07Å; F221-L249 HydrophobicContact CE1-CG 4.26Å; F221-L249 HydrophobicContact CE2-CD1 4.03Å; F221-L249 HydrophobicContact CE2-CD2 4.16Å; F221-L249 HydrophobicContact CE2-CG 3.83Å; F221-L249 HydrophobicContact CG-CD2 4.01Å; F221-L249 HydrophobicContact CZ-CD2 4.14Å; F221-L249 HydrophobicContact CZ-CG 3.85Å; F221-G251 VanDerWaalsContact CZ-CA 3.48Å; F221-G251 VanDerWaalsContact CZ-N 3.33Å; F221-F280 HydrophobicContact CB-CE2 3.92Å; F221-F280 HydrophobicContact CB-CZ 3.67Å; F221-F280 HydrophobicContact CD1-CE2 4.45Å; F221-F280 AromaticContact CD1-CZ 3.73Å; F221-F280 HydrophobicContact CD1-CZ 3.73Å; F221-F280 HydrophobicContact CG-CE2 4.44Å; F221-F280 AromaticContact CG-CZ 3.74Å; F221-F280 HydrophobicContact CG-CZ 3.74Å; F221-I284 HydrophobicContact CD1-CD1 3.78Å; F221-I284 HydrophobicContact CD1-CG1 4.19Å; F221-I284 HydrophobicContact CE1-CD1 4.13Å |
| 222 | L | 90.1 | Very high | 82.3 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.3 | -78.8 | 168.6 | 0 | 0 | 0 | 112.5 | E218 N219 Y220 N226 L283 K287 | E218-L222 WeakPolarHBondContact O-CB 3.42Å; E218-L222 WeakPolarHBondContact O-CG 3.26Å; E218-L222 PolarHBondContact O-N 2.99Å; N219-L222 PolarHBondContact O-N 3.2Å; Y220-L222 VanDerWaalsContact C-N 3.35Å; Y220-L222 PolarHBondContact O-N 2.87Å; L222-N226 VanDerWaalsContact O-CB 3.25Å; L222-N226 WeakPolarHBondContact O-CB 3.34Å; L222-N226 PolarHBondContact O-N 2.9Å; L222-N226 PolarHBondContact O-ND2 2.74Å; L222-N226 VanDerWaalsContact O-ND2 3.16Å; L222-L283 HydrophobicContact CD1-CD2 3.82Å; L222-L283 HydrophobicContact CD2-CD1 4.11Å; L222-L283 HydrophobicContact CD2-CD2 3.31Å; L222-L283 HydrophobicContact CD2-CG 3.68Å; L222-L283 HydrophobicContact CG-CD2 3.92Å; L222-K287 HydrophobicContact CD2-CD 4.4Å |
| 223 | H | 85.8 | Confident | 80.2 | Confident | 74 Ų | 74 | 56 Ų | 56 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.6 | -73.6 | -62.4 | 0 | 0 | 0 | 112.3 | N219 Y220 F221 L225 N226 S227 T228 L230 | N219-H223 PolarHBondContact O-CD2 2.91Å; N219-H223 PolarHBondContact O-N 3.23Å; N219-H223 VanDerWaalsContact O-N 3.08Å; Y220-H223 PolarHBondContact O-N 3.09Å; F221-H223 VanDerWaalsContact C-N 3.33Å; F221-H223 PolarHBondContact O-N 3.49Å; H223-L225 VanDerWaalsContact C-N 3.32Å; H223-L225 PolarHBondContact O-N 3.18Å; H223-N226 PolarHBondContact O-N 2.97Å; H223-S227 PolarHBondContact O-N 3.12Å; H223-T228 PolarHBondContact ND1-OG1 2.95Å; H223-T228 PolarHBondContact O-N 3.38Å; H223-T228 PolarHBondContact O-OG1 2.72Å; H223-L230 HydrophobicContact CB-CD1 3.89Å |
| 224 | A | 88.4 | Confident | 77.8 | Confident | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y220 F221 W246 L249 | Y220-A224 WeakPolarHBondContact O-CB 2.96Å; Y220-A224 PolarHBondContact O-N 2.84Å; F221-A224 PolarHBondContact O-N 3.23Å; A224-W246 PolarHBondContact O-NE1 3.02Å; A224-W246 VanDerWaalsContact O-NE1 3.08Å; A224-L249 HydrophobicContact CB-CD1 4.2Å; A224-L249 HydrophobicContact CB-CD2 4.01Å |
| 225 | L | 90.2 | Very high | 75.2 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78.3 | -35 | 179.4 | -68.8 | 168.5 | 0 | 0 | 0 | 112.7 | I79 F221 H223 S227 W246 I284 K287 | I79-L225 HydrophobicContact CD1-CD2 3.92Å; F221-L225 WeakPolarHBondContact O-CB 3.22Å; F221-L225 VanDerWaalsContact O-CG 3.26Å; F221-L225 WeakPolarHBondContact O-CG 3.04Å; F221-L225 PolarHBondContact O-N 3.33Å; H223-L225 VanDerWaalsContact C-N 3.32Å; H223-L225 PolarHBondContact O-N 3.18Å; L225-S227 PolarHBondContact O-N 2.87Å; L225-W246 HydrophobicContact CD2-CH2 4.29Å; L225-W246 HydrophobicContact CD2-CZ2 3.95Å; L225-I284 HydrophobicContact CD1-CB 4.48Å; L225-I284 HydrophobicContact CD1-CG1 4.33Å; L225-I284 HydrophobicContact CD1-CG2 4.12Å; L225-K287 HydrophobicContact CB-CB 4.34Å; L225-K287 HydrophobicContact CB-CD 4.08Å; L225-K287 HydrophobicContact CD1-CB 4.39Å |
| 226 | N | 84.9 | Confident | 72.4 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -77.2 | -4.5 | 176.5 | -70.9 | -26.4 | 0 | 0 | 0 | 113.7 | L222 H223 T228 K287 | L222-N226 VanDerWaalsContact O-CB 3.25Å; L222-N226 WeakPolarHBondContact O-CB 3.34Å; L222-N226 PolarHBondContact O-N 2.9Å; L222-N226 PolarHBondContact O-ND2 2.74Å; L222-N226 VanDerWaalsContact O-ND2 3.16Å; H223-N226 PolarHBondContact O-N 2.97Å; N226-T228 HydrophobicContact CB-CG2 4.09Å; N226-T228 PolarHBondContact O-N 2.9Å; N226-K287 WeakPolarHBondContact OD1-CE 3.4Å; N226-K287 PolarHBondContact OD1-NZ 3.24Å |
| 227 | S | 70.1 | Confident | 69.9 | Low | 62 Ų | 62 | 74.7 Ų | 74.7 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 30.5 | -177.1 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | H223 L225 T244 | H223-S227 PolarHBondContact O-N 3.12Å; L225-S227 PolarHBondContact O-N 2.87Å; S227-T244 WeakPolarHBondContact O-CG2 3.38Å |
| 228 | T | 61 | Low | 67.3 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 133.3 | 174.4 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | H223 N226 L230 | H223-T228 PolarHBondContact ND1-OG1 2.95Å; H223-T228 PolarHBondContact O-N 3.38Å; H223-T228 PolarHBondContact O-OG1 2.72Å; N226-T228 HydrophobicContact CB-CG2 4.09Å; N226-T228 PolarHBondContact O-N 2.9Å; T228-L230 PolarHBondContact O-N 2.79Å |
| 229 | S | 54.7 | Low | 64.6 | Low | 101 Ų | 101 | 86 Ų | 86 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 126.9 | 171.4 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 230 | L | 53.5 | Low | 62.3 | Low | 46 Ų | 46 | 90 Ų | 90 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 123.3 | 177.7 | -160.6 | 85 | 0 | 0 | 0 | 109.2 | H223 T228 W232 | H223-L230 HydrophobicContact CB-CD1 3.89Å; T228-L230 PolarHBondContact O-N 2.79Å; L230-W232 HydrophobicContact CD2-CB 3.65Å; L230-W232 HydrophobicContact CD2-CG 4.48Å; L230-W232 HydrophobicContact CG-CB 3.9Å |
| 231 | D | 49.2 | Very low | 59.9 | Low | 142 Ų | 142 | 94 Ų | 94 | 76% | 0.759 | 50% | 0.503 | S | S | * | . | trans | -106.5 | 70.1 | 173.1 | -156 | 9.9 | 0 | 0 | 0 | 108.3 | ||||
| 232 | W | 51.5 | Low | 57.6 | Low | 159 Ų | 159 | 99 Ų | 99 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | trans | -113.7 | 83.3 | -173.6 | -163.9 | -75.7 | 0 | 0 | 0 | 110.7 | L230 | L230-W232 HydrophobicContact CD2-CB 3.65Å; L230-W232 HydrophobicContact CD2-CG 4.48Å; L230-W232 HydrophobicContact CG-CB 3.9Å | ||
| 233 | N | 47.3 | Very low | 55.8 | Low | 104 Ų | 104 | 99.5 Ų | 99.5 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 156.1 | 4 | 147.7 | -84.6 | -9.7 | 0 | 0 | 0 | 114.4 | E235 | N233-E235 HydrophobicContact CB-CB 4.2Å; N233-E235 HydrophobicContact CB-CG 4.1Å; N233-E235 PolarHBondContact O-N 3Å |
| 234 | N | 44.1 | Very low | 54.7 | Low | 153 Ų | 153 | 98.7 Ų | 98.7 | 82% | 0.818 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 53.8 | 11.5 | -162.7 | -71.9 | -23.7 | 0 | 0 | 0 | 113.1 | V236 | N234-V236 PolarHBondContact O-N 3.47Š|
| 235 | E | 42.4 | Very low | 54.4 | Low | 138 Ų | 138 | 103.8 Ų | 103.8 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | trans | -80.1 | 119.8 | 167.5 | -74.1 | -175.6 | 159.7 | 0 | 0 | 106.1 | N233 V237 | N233-E235 HydrophobicContact CB-CB 4.2Å; N233-E235 HydrophobicContact CB-CG 4.1Å; N233-E235 PolarHBondContact O-N 3Å; E235-V237 VanDerWaalsContact C-N 3.32Å; E235-V237 WeakPolarHBondContact O-CG2 3.5Å; E235-V237 PolarHBondContact O-N 3.03Å | ||
| 236 | V | 37 | Very low | 54.5 | Low | 149 Ų | 149 | 103.2 Ų | 103.2 | 90% | 0.903 | 56% | 0.556 | S | S | * | * | trans | -60.9 | 93.2 | 178.8 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | N234 | N234-V236 PolarHBondContact O-N 3.47Š| ||
| 237 | V | 42.8 | Very low | 54.9 | Low | 89 Ų | 89 | 101.2 Ų | 101.2 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | trans | -81.1 | 133 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | E235 N239 | E235-V237 VanDerWaalsContact C-N 3.32Å; E235-V237 WeakPolarHBondContact O-CG2 3.5Å; E235-V237 PolarHBondContact O-N 3.03Å; V237-N239 PolarHBondContact O-N 3.17Å | ||
| 238 | D | 42.5 | Very low | 56.1 | Low | 115 Ų | 115 | 98.3 Ų | 98.3 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | trans | -53.4 | 119.8 | -175.3 | -167.4 | 3.6 | 0 | 0 | 0 | 112.4 | K240 | D238-K240 PolarHBondContact O-N 3.43Š| ||
| 239 | N | 40.9 | Very low | 57.8 | Low | 165 Ų | 165 | 95.3 Ų | 95.3 | 88% | 0.882 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 9.7 | -177.1 | -80.9 | -24.5 | 0 | 0 | 0 | 114.9 | V237 | V237-N239 PolarHBondContact O-N 3.17Š|
| 240 | K | 44.2 | Very low | 59.9 | Low | 173 Ų | 173 | 90.5 Ų | 90.5 | 75% | 0.752 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -13.1 | -169 | -76.2 | -176.4 | 179.7 | 175.9 | 0 | 115.8 | D238 | D238-K240 PolarHBondContact O-N 3.43Š|
| 241 | T | 42.7 | Very low | 62 | Low | 101 Ų | 101 | 88.3 Ų | 88.3 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -124.8 | 125.4 | 172.3 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | Q243 | T241-Q243 PolarHBondContact O-N 3.27Š|
| 242 | P | 45.7 | Very low | 64.3 | Low | 104 Ų | 104 | 81.6 Ų | 81.6 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | trans | -62.6 | 105.9 | 169.1 | 24 | -28.5 | 0 | 0 | 0 | 107 | T244 H245 | P242-T244 PolarHBondContact O-N 2.97Å; P242-H245 PolarHBondContact O-N 2.7Å | ||
| 243 | Q | 52 | Low | 66.6 | Low | 53 Ų | 53 | 74.1 Ų | 74.1 | 25% | 0.248 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 28.8 | 176.2 | -70.6 | -150.4 | -0.9 | 0 | 0 | 113 | R181 T241 | R181-Q243 PolarHBondContact NH1-O 3Å; R181-Q243 PolarHBondContact NH2-O 3Å; T241-Q243 PolarHBondContact O-N 3.27Å |
| 244 | T | 63.6 | Low | 68.9 | Low | 57 Ų | 57 | 69.3 Ų | 69.3 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -28.5 | 176.9 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | S227 P242 | S227-T244 WeakPolarHBondContact O-CG2 3.38Å; P242-T244 PolarHBondContact O-N 2.97Å |
| 245 | H | 82.8 | Confident | 71.3 | Confident | 112 Ų | 112 | 62 Ų | 62 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | trans | -81 | 133.4 | -179.5 | -177.3 | 62.9 | 0 | 0 | 0 | 112.1 | R181 P242 D247 | R181-H245 PolarHBondContact NH2-O 3.35Å; P242-H245 PolarHBondContact O-N 2.7Å; H245-D247 IonicContact NE2-OD2 3.75Å | ||
| 246 | W | 90.9 | Very high | 73.9 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | trans | -153.3 | 147.2 | 171.4 | 55.8 | -90.6 | 0 | 0 | 0 | 109.7 | R77 I79 R181 A224 L225 L249 | R77-W246 HydrophobicContact CB-CE3 4.16Å; R77-W246 HydrophobicContact CB-CH2 3.92Å; R77-W246 HydrophobicContact CB-CZ3 3.53Å; R77-W246 HydrophobicContact CG-CE3 4.48Å; R77-W246 HydrophobicContact CG-CH2 4.47Å; R77-W246 HydrophobicContact CG-CZ3 4.21Å; I79-W246 HydrophobicContact CD1-CH2 4.03Å; I79-W246 HydrophobicContact CG1-CH2 3.63Å; I79-W246 HydrophobicContact CG1-CZ3 3.96Å; R181-W246 HydrophobicContact CG-CB 3.96Å; A224-W246 PolarHBondContact O-NE1 3.02Å; A224-W246 VanDerWaalsContact O-NE1 3.08Å; L225-W246 HydrophobicContact CD2-CH2 4.29Å; L225-W246 HydrophobicContact CD2-CZ2 3.95Å; W246-L249 HydrophobicContact CD2-CB 4.18Å; W246-L249 HydrophobicContact CE3-CB 3.64Å; W246-L249 HydrophobicContact CH2-CB 3.91Å; W246-L249 HydrophobicContact CH2-CD2 4.18Å; W246-L249 HydrophobicContact CZ2-CB 4.4Å; W246-L249 HydrophobicContact CZ2-CD2 4.16Å; W246-L249 HydrophobicContact CZ3-CB 3.47Å; W246-L249 VanDerWaalsContact CZ3-CB 3.47Å | ||
| 247 | D | 93.1 | Very high | 76.6 | Confident | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -99.1 | -38.5 | 175.8 | -62.6 | -78.5 | 0 | 0 | 0 | 111.1 | R77 I78 K178 Q179 H245 | R77-D247 VanDerWaalsContact CA-O 3.31Å; R77-D247 WeakPolarHBondContact CA-O 3.33Å; I78-D247 PolarHBondContact N-O 3.19Å; K178-D247 VanDerWaalsContact CA-OD2 3.27Å; K178-D247 WeakPolarHBondContact CA-OD2 3.31Å; K178-D247 HydrophobicContact CB-CB 4.2Å; K178-D247 HydrophobicContact CD-CB 3.99Å; K178-D247 IonicContact NZ-OD1 2.74Å; Q179-D247 PolarHBondContact N-OD2 3.32Å; Q179-D247 PolarHBondContact O-N 2.99Å; H245-D247 IonicContact NE2-OD2 3.75Å |
| 248 | I | 95.8 | Very high | 78.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.9 | -175.5 | -61.9 | 139.1 | 0 | 0 | 0 | 108.9 | I78 W173 K178 Q179 I180 R181 I250 | I78-I248 WeakPolarHBondContact O-CA 3.41Å; W173-I248 HydrophobicContact CB-CD1 3.89Å; W173-I248 HydrophobicContact CD2-CD1 3.26Å; W173-I248 HydrophobicContact CD2-CG1 4.3Å; W173-I248 HydrophobicContact CE3-CD1 3.61Å; W173-I248 HydrophobicContact CE3-CG1 4.42Å; W173-I248 HydrophobicContact CE3-CG2 4.3Å; W173-I248 HydrophobicContact CG-CD1 3.39Å; W173-I248 HydrophobicContact CH2-CD1 4.49Å; W173-I248 HydrophobicContact CH2-CG2 4.23Å; W173-I248 HydrophobicContact CZ2-CD1 4.19Å; W173-I248 HydrophobicContact CZ2-CG1 4.47Å; W173-I248 HydrophobicContact CZ3-CD1 4.22Å; W173-I248 HydrophobicContact CZ3-CG2 3.92Å; K178-I248 HydrophobicContact CB-CD1 4.07Å; Q179-I248 PolarHBondContact O-N 3.14Å; I180-I248 WeakPolarHBondContact CA-O 3.44Å; I180-I248 HydrophobicContact CG1-CD1 4.14Å; I180-I248 HydrophobicContact CG2-CB 4.26Å; I180-I248 HydrophobicContact CG2-CG2 4.12Å; R181-I248 PolarHBondContact N-O 3Å; I248-I250 HydrophobicContact CG2-CD1 4.08Å; I248-I250 HydrophobicContact CG2-CG1 3.77Å |
| 249 | L | 96.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.5 | 174.7 | 177.3 | 63.4 | 0 | 0 | 0 | 109.1 | I78 I79 L80 R181 Y220 F221 A224 W246 | I78-L249 PolarHBondContact O-N 3.47Å; I79-L249 CarbonylContact C-O 3.59Å; I79-L249 WeakPolarHBondContact CA-O 3.49Å; I79-L249 HydrophobicContact CG1-CB 4.44Å; I79-L249 HydrophobicContact CG2-CD2 4.39Å; L80-L249 PolarHBondContact N-O 2.99Å; R181-L249 HydrophobicContact CB-CD1 3.82Å; Y220-L249 HydrophobicContact CD1-CD1 4.21Å; Y220-L249 HydrophobicContact CE1-CD1 3.8Å; F221-L249 HydrophobicContact CD1-CD2 3.99Å; F221-L249 HydrophobicContact CD2-CD1 4.27Å; F221-L249 HydrophobicContact CD2-CD2 4.12Å; F221-L249 HydrophobicContact CD2-CG 4.23Å; F221-L249 HydrophobicContact CE1-CD2 4.07Å; F221-L249 HydrophobicContact CE1-CG 4.26Å; F221-L249 HydrophobicContact CE2-CD1 4.03Å; F221-L249 HydrophobicContact CE2-CD2 4.16Å; F221-L249 HydrophobicContact CE2-CG 3.83Å; F221-L249 HydrophobicContact CG-CD2 4.01Å; F221-L249 HydrophobicContact CZ-CD2 4.14Å; F221-L249 HydrophobicContact CZ-CG 3.85Å; A224-L249 HydrophobicContact CB-CD1 4.2Å; A224-L249 HydrophobicContact CB-CD2 4.01Å; W246-L249 HydrophobicContact CD2-CB 4.18Å; W246-L249 HydrophobicContact CE3-CB 3.64Å; W246-L249 HydrophobicContact CH2-CB 3.91Å; W246-L249 HydrophobicContact CH2-CD2 4.18Å; W246-L249 HydrophobicContact CZ2-CB 4.4Å; W246-L249 HydrophobicContact CZ2-CD2 4.16Å; W246-L249 HydrophobicContact CZ3-CB 3.47Å; W246-L249 VanDerWaalsContact CZ3-CB 3.47Å |
| 250 | I | 98.5 | Very high | 83.6 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.6 | -178.1 | -51.4 | -176.7 | 0 | 0 | 0 | 109.1 | L80 L170 W173 I180 R181 F182 V183 W188 F196 I248 | L80-I250 HydrophobicContact CB-CG1 4.27Å; L80-I250 HydrophobicContact CB-CG2 4.4Å; L80-I250 HydrophobicContact CD1-CD1 4.28Å; L80-I250 HydrophobicContact CD1-CG1 4.24Å; L80-I250 CarbonylContact O-C 3.5Å; L80-I250 VanDerWaalsContact O-CA 3.31Å; L80-I250 WeakPolarHBondContact O-CA 3.42Å; L170-I250 HydrophobicContact CD2-CD1 3.84Å; W173-I250 HydrophobicContact CZ3-CD1 4.32Å; I180-I250 HydrophobicContact CG2-CD1 4.12Å; R181-I250 PolarHBondContact O-N 3.13Å; F182-I250 CarbonylContact C-O 3.59Å; F182-I250 WeakPolarHBondContact CA-O 3.4Å; F182-I250 HydrophobicContact CD2-CB 3.93Å; F182-I250 HydrophobicContact CD2-CG2 3.77Å; F182-I250 HydrophobicContact CE2-CG2 4.18Å; V183-I250 PolarHBondContact N-O 3.09Å; W188-I250 HydrophobicContact CH2-CD1 4.48Å; W188-I250 HydrophobicContact CH2-CG2 4.07Å; W188-I250 HydrophobicContact CZ2-CG2 4.06Å; W188-I250 HydrophobicContact CZ3-CD1 4.32Å; F196-I250 HydrophobicContact CE1-CD1 4.36Å; I248-I250 HydrophobicContact CG2-CD1 4.08Å; I248-I250 HydrophobicContact CG2-CG1 3.77Å |
| 251 | G | 98.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L80 L81 L82 V183 F221 | L80-G251 PolarHBondContact O-N 3.2Å; L81-G251 CarbonylContact C-O 3.48Å; L82-G251 PolarHBondContact N-O 3.13Å; V183-G251 CarbonylContact O-C 3.42Å; V183-G251 VanDerWaalsContact O-CA 3.26Å; V183-G251 WeakPolarHBondContact O-CA 3.4Å; F221-G251 VanDerWaalsContact CZ-CA 3.48Å; F221-G251 VanDerWaalsContact CZ-N 3.33Å |
| 252 | H | 98.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 107.9 | 173.8 | -167.1 | -167.7 | 0 | 0 | 0 | 110.2 | L82 D84 F182 V183 G184 D185 W188 | L82-H252 HydrophobicContact CB-CB 4.45Å; L82-H252 WeakPolarHBondContact CD2-NE2 3.33Å; L82-H252 CarbonylContact O-C 3.5Å; L82-H252 WeakPolarHBondContact O-CA 3.48Å; D84-H252 IonicContact OD2-CE1 2.88Å; D84-H252 IonicContact OD2-NE2 2.77Å; F182-H252 HydrophobicContact CE2-CB 4.09Å; F182-H252 HydrophobicContact CZ-CB 4.37Å; V183-H252 PolarHBondContact O-N 2.92Å; G184-H252 VanDerWaalsContact CA-O 3.23Å; G184-H252 WeakPolarHBondContact CA-O 3.48Å; D185-H252 HydrophobicContact CB-CB 4.27Å; D185-H252 WeakPolarHBondContact CB-ND1 3.22Å; D185-H252 IonicContact OD2-CE1 2.75Å; D185-H252 PolarHBondContact OD2-CE1 2.69Å; D185-H252 IonicContact OD2-ND1 2.68Å; D185-H252 PolarHBondContact OD2-ND1 3.28Å; W188-H252 AromaticContact CD1-ND1 3.59Å; W188-H252 AromaticContact NE1-CG 3.61Å; W188-H252 AromaticContact NE1-ND1 3.13Å; W188-H252 PolarHBondContact NE1-ND1 3.37Å; W188-H252 VanDerWaalsContact NE1-ND1 3.13Å |
| 253 | M | 98.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 141.2 | 179.2 | -60.5 | -175.2 | 78.4 | 0 | 0 | 110.2 | L81 L82 D84 D214 V217 L277 F280 | L81-M253 HydrophobicContact CD1-CG 3.96Å; L81-M253 HydrophobicContact CD1-SD 3.9Å; L81-M253 HydrophobicContact CD2-SD 4.34Å; L81-M253 HydrophobicContact CG-SD 4.47Å; L82-M253 PolarHBondContact O-N 2.86Å; D84-M253 VanDerWaalsContact CB-O 3.29Å; D84-M253 WeakPolarHBondContact CB-O 3.44Å; D84-M253 PolarHBondContact N-O 3.35Å; D214-M253 HydrophobicContact CB-CE 3.53Å; D214-M253 VanDerWaalsContact CG-CE 3.45Å; D214-M253 WeakPolarHBondContact OD1-CB 3.45Å; V217-M253 HydrophobicContact CB-CG 4.23Å; V217-M253 HydrophobicContact CG1-CG 4.01Å; V217-M253 HydrophobicContact CG2-CG 4.31Å; M253-L277 HydrophobicContact SD-CD1 3.88Å; M253-F280 HydrophobicContact CE-CD1 4.18Å; M253-F280 HydrophobicContact SD-CD1 3.83Å; M253-F280 HydrophobicContact SD-CE1 3.92Å |
| 254 | L | 96 | Very high | 90.8 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | trans | -114.8 | -13.3 | -176.9 | -62.6 | -176.4 | 0 | 0 | 0 | 112.9 | D84 D185 V213 D214 I256 D257 H258 | D84-L254 HydrophobicContact CB-CD2 3.8Å; D84-L254 WeakPolarHBondContact OD2-CD2 3.13Å; D185-L254 HydrophobicContact CB-CD1 4.15Å; D185-L254 HydrophobicContact CB-CD2 4.02Å; D185-L254 HydrophobicContact CB-CG 4.3Å; V213-L254 HydrophobicContact CG1-CD1 4.32Å; V213-L254 HydrophobicContact CG1-CG 4.18Å; V213-L254 HydrophobicContact CG2-CD1 4.16Å; D214-L254 PolarHBondContact OD1-N 3.44Å; L254-I256 PolarHBondContact O-N 2.82Å; L254-I256 VanDerWaalsContact O-N 3.1Å; L254-D257 PolarHBondContact O-N 2.95Å; L254-H258 WeakPolarHBondContact O-CB 3.25Å; L254-H258 PolarHBondContact O-N 3.32Å | ||
| 255 | G | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.7 | -26.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L210 D214 C259 | L210-G255 WeakPolarHBondContact O-CA 3.4Å; D214-G255 PolarHBondContact OD1-N 2.91Å; D214-G255 WeakPolarHBondContact OD2-CA 3.36Å; D214-G255 PolarHBondContact OD2-N 2.94Å; G255-C259 WeakPolarHBondContact O-CB 3.38Å; G255-C259 PolarHBondContact O-N 2.85Å; G255-C259 VanDerWaalsContact O-N 3.08Å |
| 256 | I | 95.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 2% | 0.015 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -73.1 | -54.5 | 174.4 | -68.7 | -172.1 | 0 | 0 | 0 | 110.7 | V83 L86 L90 L254 H258 C259 G260 M270 L274 L277 M302 | V83-I256 HydrophobicContact CG1-CB 4.35Å; V83-I256 HydrophobicContact CG1-CD1 3.62Å; V83-I256 HydrophobicContact CG1-CG1 4.12Å; L86-I256 HydrophobicContact CD1-CD1 3.75Å; L90-I256 HydrophobicContact CD1-CG2 4.08Å; L254-I256 PolarHBondContact O-N 2.82Å; L254-I256 VanDerWaalsContact O-N 3.1Å; I256-H258 PolarHBondContact O-N 2.67Å; I256-C259 PolarHBondContact O-N 3.32Å; I256-C259 VanDerWaalsContact O-N 3.14Å; I256-G260 PolarHBondContact O-N 3.49Å; I256-M270 HydrophobicContact CB-SD 4.49Å; I256-M270 HydrophobicContact CG1-SD 4.47Å; I256-M270 HydrophobicContact CG2-CE 4.11Å; I256-M270 HydrophobicContact CG2-SD 3.96Å; I256-M270 WeakPolarHBondContact O-CE 3.3Å; I256-L274 HydrophobicContact CD1-CD2 3.63Å; I256-L277 HydrophobicContact CD1-CD2 3.73Å; I256-M302 HydrophobicContact CG2-CE 3.98Å |
| 257 | D | 94.5 | Very high | 91.4 | Very high | 10 Ų | 10 | 12.6 Ų | 12.6 | 5% | 0.053 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.2 | -49.5 | 176.5 | -176.9 | 62.4 | 0 | 0 | 0 | 112 | D84 A85 L254 C259 G260 H261 H300 H308 | D84-D257 HydrophobicContact CB-CB 3.78Å; D84-D257 PolarHBondContact O-N 3.21Å; D84-D257 WeakPolarHBondContact OD1-CB 3.35Å; A85-D257 HydrophobicContact CB-CB 3.6Å; A85-D257 WeakPolarHBondContact CB-OD1 3.3Å; L254-D257 PolarHBondContact O-N 2.95Å; D257-C259 VanDerWaalsContact C-N 3.27Å; D257-C259 PolarHBondContact O-N 3.23Å; D257-G260 CarbonylContact O-C 3.54Å; D257-G260 VanDerWaalsContact O-CA 3.24Å; D257-G260 WeakPolarHBondContact O-CA 3.4Å; D257-G260 PolarHBondContact O-N 3.22Å; D257-H261 PolarHBondContact O-CD2 3.4Å; D257-H261 VanDerWaalsContact O-CD2 3.24Å; D257-H261 PolarHBondContact O-N 2.98Å; D257-H261 IonicContact OD1-CD2 3.78Å; D257-H261 IonicContact OD1-NE2 2.77Å; D257-H261 PolarHBondContact OD1-NE2 2.89Å; D257-H261 IonicContact OD2-CD2 3.71Å; D257-H261 PolarHBondContact OD2-CD2 2.92Å; D257-H261 IonicContact OD2-NE2 3.39Å; D257-H261 PolarHBondContact OD2-NE2 3.24Å; D257-H300 IonicContact OD1-CE1 3.72Å; D257-H308 IonicContact OD1-CD2 2.73Å; D257-H308 IonicContact OD1-NE2 2.8Å; D257-H308 PolarHBondContact OD1-NE2 3.34Å |
| 258 | H | 91.6 | Very high | 91 | Very high | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.6 | -38.6 | 176.4 | -76.3 | -158.8 | 0 | 0 | 0 | 112.6 | S204 N206 V207 D209 L210 L254 I256 T262 | S204-H258 PolarHBondContact O-NE2 2.91Å; S204-H258 VanDerWaalsContact O-NE2 3.1Å; N206-H258 PolarHBondContact O-CE1 2.69Å; N206-H258 PolarHBondContact O-ND1 2.86Å; V207-H258 WeakPolarHBondContact O-CB 3.32Å; D209-H258 PolarHBondContact O-ND1 3.33Å; L210-H258 VanDerWaalsContact CD2-C 3.46Å; L210-H258 HydrophobicContact CD2-CB 3.56Å; L254-H258 WeakPolarHBondContact O-CB 3.25Å; L254-H258 PolarHBondContact O-N 3.32Å; I256-H258 PolarHBondContact O-N 2.67Å; H258-T262 WeakPolarHBondContact O-CB 3.44Å; H258-T262 PolarHBondContact O-N 3Å; H258-T262 PolarHBondContact O-OG1 3.48Å |
| 259 | C | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.6 | -34.9 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | L210 G255 I256 D257 Y263 G264 E269 M270 K273 | L210-C259 HydrophobicContact CD1-CB 3.99Å; L210-C259 HydrophobicContact CD2-CB 4.08Å; G255-C259 WeakPolarHBondContact O-CB 3.38Å; G255-C259 PolarHBondContact O-N 2.85Å; G255-C259 VanDerWaalsContact O-N 3.08Å; I256-C259 PolarHBondContact O-N 3.32Å; I256-C259 VanDerWaalsContact O-N 3.14Å; D257-C259 VanDerWaalsContact C-N 3.27Å; D257-C259 PolarHBondContact O-N 3.23Å; C259-Y263 WeakPolarHBondContact O-CA 3.36Å; C259-Y263 PolarHBondContact O-N 3.42Å; C259-G264 PolarHBondContact O-N 3.02Å; C259-G264 VanDerWaalsContact O-N 3.11Å; C259-E269 VanDerWaalsContact SG-C 3.59Å; C259-M270 HydrophobicContact CB-CE 3.98Å; C259-M270 HydrophobicContact CB-SD 4.35Å; C259-M270 WeakPolarHBondContact SG-CA 3.31Å; C259-M270 PolarHBondContact SG-N 2.98Å; C259-K273 HydrophobicContact CB-CG 4.37Å |
| 260 | G | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.6 | -60.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I256 D257 T262 G264 G306 | I256-G260 PolarHBondContact O-N 3.49Å; D257-G260 CarbonylContact O-C 3.54Å; D257-G260 VanDerWaalsContact O-CA 3.24Å; D257-G260 WeakPolarHBondContact O-CA 3.4Å; D257-G260 PolarHBondContact O-N 3.22Å; G260-T262 PolarHBondContact O-N 3.4Å; G260-G264 WeakPolarHBondContact O-CA 3.36Å; G260-G264 PolarHBondContact O-N 3.34Å; G260-G306 WeakPolarHBondContact O-CA 3.45Å |
| 261 | H | 85.9 | Confident | 89.7 | Confident | 26 Ų | 26 | 18.1 Ų | 18.1 | 12% | 0.12 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 178.3 | -67.8 | -61.8 | 0 | 0 | 0 | 112.7 | V207 D257 G306 H308 R670 | V207-H261 HydrophobicContact CB-CB 4.25Å; V207-H261 HydrophobicContact CG1-CB 4.24Å; D257-H261 PolarHBondContact O-CD2 3.4Å; D257-H261 VanDerWaalsContact O-CD2 3.24Å; D257-H261 PolarHBondContact O-N 2.98Å; D257-H261 IonicContact OD1-CD2 3.78Å; D257-H261 IonicContact OD1-NE2 2.77Å; D257-H261 PolarHBondContact OD1-NE2 2.89Å; D257-H261 IonicContact OD2-CD2 3.71Å; D257-H261 PolarHBondContact OD2-CD2 2.92Å; D257-H261 IonicContact OD2-NE2 3.39Å; D257-H261 PolarHBondContact OD2-NE2 3.24Å; H261-G306 PolarHBondContact CE1-O 3.32Å; H261-H308 AromaticContact CE1-CD2 3.41Å; H261-H308 PolarHBondContact CE1-CD2 3.25Å; H261-H308 VanDerWaalsContact CE1-CD2 3.41Å; H261-H308 AromaticContact CE1-NE2 3.33Å; H261-H308 PolarHBondContact CE1-NE2 2.92Å; H261-H308 VanDerWaalsContact CE1-NE2 3.33Å; H261-H308 AromaticContact NE2-CD2 3.48Å; H261-H308 PolarHBondContact NE2-CD2 3.25Å; H261-H308 AromaticContact NE2-NE2 3.06Å; H261-H308 PolarHBondContact NE2-NE2 3.31Å; H261-R670 PolarHBondContact O-NE 2.91Å; H261-R670 PolarHBondContact O-NH1 2.87Å; H261-R670 PolarHBondContact O-NH2 2.95Å |
| 262 | T | 81.3 | Confident | 89.4 | Confident | 8 Ų | 8 | 21.5 Ų | 21.5 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -76.6 | -36.5 | -172.6 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | V207 H258 G260 R670 | V207-T262 PolarHBondContact O-OG1 3.19Å; H258-T262 WeakPolarHBondContact O-CB 3.44Å; H258-T262 PolarHBondContact O-N 3Å; H258-T262 PolarHBondContact O-OG1 3.48Å; G260-T262 PolarHBondContact O-N 3.4Å; T262-R670 WeakPolarHBondContact O-CG 3.31Å |
| 263 | Y | 83.4 | Confident | 89.2 | Confident | 24 Ų | 24 | 21.6 Ų | 21.6 | 9% | 0.094 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -131.3 | -20.8 | -171.5 | -61.6 | -71.5 | 0 | 0 | 0 | 114.5 | L210 C259 H267 E269 K754 | L210-Y263 HydrophobicContact CD1-CD2 4.11Å; L210-Y263 HydrophobicContact CD1-CE2 3.76Å; C259-Y263 WeakPolarHBondContact O-CA 3.36Å; C259-Y263 PolarHBondContact O-N 3.42Å; Y263-H267 AromaticContact CD1-CE1 3.47Å; Y263-H267 VanDerWaalsContact CD1-CE1 3.47Å; Y263-H267 WeakPolarHBondContact CD1-CE1 3.38Å; Y263-H267 AromaticContact CD1-ND1 3.73Å; Y263-H267 AromaticContact CD1-NE2 3.88Å; Y263-H267 AromaticContact CE1-CE1 3.97Å; Y263-H267 AromaticContact CG-CE1 3.82Å; Y263-H267 AromaticContact CG-ND1 3.57Å; Y263-E269 HydrophobicContact CD2-CB 3.85Å; Y263-E269 HydrophobicContact CD2-CG 4.09Å; Y263-E269 HydrophobicContact CE2-CB 4.06Å; Y263-E269 HydrophobicContact CE2-CG 3.88Å; Y263-E269 HydrophobicContact CG-CB 4.41Å; Y263-K754 PolarHBondContact OH-NZ 3.08Å |
| 264 | G | 85.2 | Confident | 89 | Confident | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | trans | 86.8 | 159.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C259 G260 A266 H267 | C259-G264 PolarHBondContact O-N 3.02Å; C259-G264 VanDerWaalsContact O-N 3.11Å; G260-G264 WeakPolarHBondContact O-CA 3.36Å; G260-G264 PolarHBondContact O-N 3.34Å; G264-A266 PolarHBondContact O-N 2.82Å; G264-H267 WeakPolarHBondContact O-CB 3.45Å | ||
| 265 | P | 86.6 | Confident | 88.7 | Confident | 32 Ų | 32 | 25.3 Ų | 25.3 | 21% | 0.208 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -66.9 | -21.3 | -178.3 | 25.2 | -35 | 0 | 0 | 0 | 114.4 | L90 H267 M270 M302 R304 | L90-P265 HydrophobicContact CD2-CB 4.41Å; P265-H267 PolarHBondContact O-N 2.98Å; P265-M270 HydrophobicContact CB-CE 4.28Å; P265-M270 WeakPolarHBondContact O-CG 3.09Å; P265-M302 HydrophobicContact CB-SD 3.84Å; P265-M302 HydrophobicContact CG-SD 4.04Å; P265-R304 WeakPolarHBondContact CD-O 3.47Å |
| 266 | A | 82.7 | Confident | 88.7 | Confident | 90 Ų | 90 | 28 Ų | 28 | 74% | 0.744 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -98 | 55.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G264 | G264-A266 PolarHBondContact O-N 2.82Š|
| 267 | H | 81.7 | Confident | 88.6 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -134.2 | 147.7 | -179.3 | -167.6 | -100.9 | 0 | 0 | 0 | 111.9 | Y263 G264 P265 E269 M270 M271 | Y263-H267 AromaticContact CD1-CE1 3.47Å; Y263-H267 VanDerWaalsContact CD1-CE1 3.47Å; Y263-H267 WeakPolarHBondContact CD1-CE1 3.38Å; Y263-H267 AromaticContact CD1-ND1 3.73Å; Y263-H267 AromaticContact CD1-NE2 3.88Å; Y263-H267 AromaticContact CE1-CE1 3.97Å; Y263-H267 AromaticContact CG-CE1 3.82Å; Y263-H267 AromaticContact CG-ND1 3.57Å; G264-H267 WeakPolarHBondContact O-CB 3.45Å; P265-H267 PolarHBondContact O-N 2.98Å; H267-E269 WeakPolarHBondContact ND1-CB 3.49Å; H267-E269 PolarHBondContact ND1-N 3.44Å; H267-E269 PolarHBondContact O-N 3Å; H267-M270 WeakPolarHBondContact O-CB 3.39Å; H267-M270 PolarHBondContact O-N 3.35Å; H267-M271 PolarHBondContact O-N 3.45Å |
| 268 | P | 83.9 | Confident | 88.4 | Confident | 51 Ų | 51 | 28.5 Ų | 28.5 | 33% | 0.331 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.7 | -30.8 | 177.8 | -28.4 | 36.4 | 0 | 0 | 0 | 114.7 | M271 R272 | P268-M271 WeakPolarHBondContact O-CB 3.38Å; P268-M271 PolarHBondContact O-N 3.11Å; P268-R272 PolarHBondContact O-N 2.87Å |
| 269 | E | 87.1 | Confident | 88.5 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 173.5 | -67.3 | -67.6 | 159.1 | 0 | 0 | 112 | L210 C259 Y263 H267 M271 R272 K273 K754 | L210-E269 HydrophobicContact CD1-CB 4.35Å; C259-E269 VanDerWaalsContact SG-C 3.59Å; Y263-E269 HydrophobicContact CD2-CB 3.85Å; Y263-E269 HydrophobicContact CD2-CG 4.09Å; Y263-E269 HydrophobicContact CE2-CB 4.06Å; Y263-E269 HydrophobicContact CE2-CG 3.88Å; Y263-E269 HydrophobicContact CG-CB 4.41Å; H267-E269 WeakPolarHBondContact ND1-CB 3.49Å; H267-E269 PolarHBondContact ND1-N 3.44Å; H267-E269 PolarHBondContact O-N 3Å; E269-M271 VanDerWaalsContact C-N 3.3Å; E269-M271 PolarHBondContact O-N 2.95Å; E269-R272 WeakPolarHBondContact O-CB 2.96Å; E269-R272 PolarHBondContact O-N 3.44Å; E269-R272 IonicContact OE2-CZ 3.51Å; E269-R272 IonicContact OE2-NE 2.73Å; E269-R272 PolarHBondContact OE2-NE 2.92Å; E269-R272 IonicContact OE2-NH2 2.8Å; E269-R272 PolarHBondContact OE2-NH2 3.09Å; E269-R272 VanDerWaalsContact OE2-NH2 3.09Å; E269-K273 WeakPolarHBondContact O-CG 3.25Å; E269-K273 PolarHBondContact O-N 3.05Å; E269-K754 IonicContact OE1-NZ 2.81Å |
| 270 | M | 90 | Very high | 88.6 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.5 | -179.2 | 61.9 | 79.1 | 0 | 0 | 110.2 | I256 C259 P265 H267 R272 K273 L274 M302 | I256-M270 HydrophobicContact CB-SD 4.49Å; I256-M270 HydrophobicContact CG1-SD 4.47Å; I256-M270 HydrophobicContact CG2-CE 4.11Å; I256-M270 HydrophobicContact CG2-SD 3.96Å; I256-M270 WeakPolarHBondContact O-CE 3.3Å; C259-M270 HydrophobicContact CB-CE 3.98Å; C259-M270 HydrophobicContact CB-SD 4.35Å; C259-M270 WeakPolarHBondContact SG-CA 3.31Å; C259-M270 PolarHBondContact SG-N 2.98Å; P265-M270 HydrophobicContact CB-CE 4.28Å; P265-M270 WeakPolarHBondContact O-CG 3.09Å; H267-M270 WeakPolarHBondContact O-CB 3.39Å; H267-M270 PolarHBondContact O-N 3.35Å; M270-R272 VanDerWaalsContact C-N 3.35Å; M270-R272 PolarHBondContact O-N 3.44Å; M270-K273 PolarHBondContact O-N 3.09Å; M270-L274 HydrophobicContact CG-CD1 4.04Å; M270-L274 HydrophobicContact CG-CG 4.43Å; M270-L274 VanDerWaalsContact O-CG 3.32Å; M270-L274 WeakPolarHBondContact O-CG 3.34Å; M270-L274 PolarHBondContact O-N 3.46Å; M270-L274 HydrophobicContact SD-CG 4.4Å; M270-M302 HydrophobicContact CE-CE 4.12Å; M270-M302 HydrophobicContact CE-SD 4.13Å |
| 271 | M | 87 | Confident | 88.8 | Confident | 61 Ų | 61 | 32 Ų | 32 | 30% | 0.3 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 175.3 | -175.6 | 174.6 | 60.2 | 0 | 0 | 112.1 | H267 P268 E269 L274 N275 | H267-M271 PolarHBondContact O-N 3.45Å; P268-M271 WeakPolarHBondContact O-CB 3.38Å; P268-M271 PolarHBondContact O-N 3.11Å; E269-M271 VanDerWaalsContact C-N 3.3Å; E269-M271 PolarHBondContact O-N 2.95Å; M271-L274 PolarHBondContact O-N 3.23Å; M271-N275 WeakPolarHBondContact O-CB 3.14Å; M271-N275 VanDerWaalsContact O-CG 3.23Å; M271-N275 PolarHBondContact O-N 3.04Å; M271-N275 PolarHBondContact O-ND2 3.37Å |
| 272 | R | 92 | Very high | 89.1 | Confident | 71 Ų | 71 | 34.7 Ų | 34.7 | 27% | 0.268 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.5 | -49.6 | 172.4 | -178.8 | -175 | 64.1 | 85.3 | -4.5 | 111 | D211 P268 E269 M270 L274 N275 E276 | D211-R272 IonicContact OD1-CZ 2.8Å; D211-R272 IonicContact OD1-NH1 2.94Å; D211-R272 PolarHBondContact OD1-NH1 3.16Å; D211-R272 IonicContact OD1-NH2 3.5Å; D211-R272 PolarHBondContact OD1-NH2 3.48Å; D211-R272 IonicContact OD2-NH1 3.63Å; P268-R272 PolarHBondContact O-N 2.87Å; E269-R272 WeakPolarHBondContact O-CB 2.96Å; E269-R272 PolarHBondContact O-N 3.44Å; E269-R272 IonicContact OE2-CZ 3.51Å; E269-R272 IonicContact OE2-NE 2.73Å; E269-R272 PolarHBondContact OE2-NE 2.92Å; E269-R272 IonicContact OE2-NH2 2.8Å; E269-R272 PolarHBondContact OE2-NH2 3.09Å; E269-R272 VanDerWaalsContact OE2-NH2 3.09Å; M270-R272 VanDerWaalsContact C-N 3.35Å; M270-R272 PolarHBondContact O-N 3.44Å; R272-L274 PolarHBondContact O-N 2.98Å; R272-N275 WeakPolarHBondContact O-CB 3.4Å; R272-N275 PolarHBondContact O-N 3.08Å; R272-E276 IonicContact CZ-OE1 2.66Å; R272-E276 VanDerWaalsContact NH1-CD 3.32Å; R272-E276 IonicContact NH1-OE1 3.97Å; R272-E276 PolarHBondContact NH1-OE1 3.24Å; R272-E276 IonicContact NH1-OE2 3.76Å; R272-E276 PolarHBondContact NH1-OE2 3.08Å; R272-E276 WeakPolarHBondContact O-CG 3.24Å; R272-E276 PolarHBondContact O-N 3.41Å |
| 273 | K | 93.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 179.8 | -68.6 | -52.3 | -52.2 | 179.2 | 0 | 113 | L210 D211 D214 C259 E269 M270 N275 E276 L277 | L210-K273 HydrophobicContact CB-CD 4.13Å; L210-K273 HydrophobicContact CD1-CG 4.48Å; L210-K273 WeakPolarHBondContact O-CE 3.28Å; L210-K273 PolarHBondContact O-NZ 3.22Å; D211-K273 IonicContact OD1-NZ 3.63Å; D214-K273 WeakPolarHBondContact OD2-CE 3.34Å; D214-K273 IonicContact OD2-NZ 3.95Å; D214-K273 PolarHBondContact OD2-NZ 2.98Å; C259-K273 HydrophobicContact CB-CG 4.37Å; E269-K273 WeakPolarHBondContact O-CG 3.25Å; E269-K273 PolarHBondContact O-N 3.05Å; M270-K273 PolarHBondContact O-N 3.09Å; K273-N275 VanDerWaalsContact C-N 3.34Å; K273-N275 PolarHBondContact O-N 3.18Å; K273-E276 WeakPolarHBondContact CD-OE2 3.44Å; K273-E276 WeakPolarHBondContact CE-OE2 3.45Å; K273-E276 IonicContact NZ-OE2 3.56Å; K273-E276 PolarHBondContact NZ-OE2 2.84Å; K273-E276 PolarHBondContact O-N 3.23Å; K273-L277 WeakPolarHBondContact O-CB 3.41Å; K273-L277 PolarHBondContact O-N 2.91Å |
| 274 | L | 93 | Very high | 90.1 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -36 | 174.5 | -69.6 | 168.7 | 0 | 0 | 0 | 112.5 | L86 L90 P115 I256 M270 M271 R272 N278 | L86-L274 HydrophobicContact CD1-CD2 4.47Å; L90-L274 HydrophobicContact CB-CD2 4.46Å; P115-L274 HydrophobicContact CG-CB 3.68Å; P115-L274 HydrophobicContact CG-CD1 4.3Å; I256-L274 HydrophobicContact CD1-CD2 3.63Å; M270-L274 HydrophobicContact CG-CD1 4.04Å; M270-L274 HydrophobicContact CG-CG 4.43Å; M270-L274 VanDerWaalsContact O-CG 3.32Å; M270-L274 WeakPolarHBondContact O-CG 3.34Å; M270-L274 PolarHBondContact O-N 3.46Å; M270-L274 HydrophobicContact SD-CG 4.4Å; M271-L274 PolarHBondContact O-N 3.23Å; R272-L274 PolarHBondContact O-N 2.98Å; L274-N278 WeakPolarHBondContact O-CB 3.19Å; L274-N278 PolarHBondContact O-N 3.02Å |
| 275 | N | 91.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 175.1 | -73.1 | -25.9 | 0 | 0 | 0 | 112.5 | P115 M271 R272 K273 N278 S279 | P115-N275 WeakPolarHBondContact CB-OD1 3.4Å; M271-N275 WeakPolarHBondContact O-CB 3.14Å; M271-N275 VanDerWaalsContact O-CG 3.23Å; M271-N275 PolarHBondContact O-N 3.04Å; M271-N275 PolarHBondContact O-ND2 3.37Å; R272-N275 WeakPolarHBondContact O-CB 3.4Å; R272-N275 PolarHBondContact O-N 3.08Å; K273-N275 VanDerWaalsContact C-N 3.34Å; K273-N275 PolarHBondContact O-N 3.18Å; N275-N278 PolarHBondContact O-N 3.15Å; N275-S279 WeakPolarHBondContact O-CB 3.11Å; N275-S279 PolarHBondContact O-N 3.08Å; N275-S279 PolarHBondContact O-OG 3.2Å |
| 276 | E | 93.9 | Very high | 90.6 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 173 | -74.1 | 171.6 | -171.1 | 0 | 0 | 110.5 | R272 K273 N278 S279 F280 | R272-E276 IonicContact CZ-OE1 2.66Å; R272-E276 VanDerWaalsContact NH1-CD 3.32Å; R272-E276 IonicContact NH1-OE1 3.97Å; R272-E276 PolarHBondContact NH1-OE1 3.24Å; R272-E276 IonicContact NH1-OE2 3.76Å; R272-E276 PolarHBondContact NH1-OE2 3.08Å; R272-E276 WeakPolarHBondContact O-CG 3.24Å; R272-E276 PolarHBondContact O-N 3.41Å; K273-E276 WeakPolarHBondContact CD-OE2 3.44Å; K273-E276 WeakPolarHBondContact CE-OE2 3.45Å; K273-E276 IonicContact NZ-OE2 3.56Å; K273-E276 PolarHBondContact NZ-OE2 2.84Å; K273-E276 PolarHBondContact O-N 3.23Å; E276-N278 VanDerWaalsContact C-N 3.33Å; E276-N278 PolarHBondContact O-N 3.21Å; E276-S279 WeakPolarHBondContact O-CB 3.35Å; E276-S279 PolarHBondContact O-N 3.24Å; E276-S279 VanDerWaalsContact O-N 3.14Å; E276-F280 WeakPolarHBondContact O-CB 3.35Å; E276-F280 PolarHBondContact O-N 3.27Å |
| 277 | L | 94 | Very high | 91 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -45.6 | 175 | 177 | 62.7 | 0 | 0 | 0 | 111.5 | L81 V83 L86 M253 I256 K273 S279 F280 I281 | L81-L277 HydrophobicContact CD2-CD1 4.2Å; V83-L277 HydrophobicContact CG1-CD2 3.93Å; V83-L277 HydrophobicContact CG2-CD1 3.87Å; V83-L277 HydrophobicContact CG2-CD2 4.21Å; L86-L277 HydrophobicContact CD1-CD2 4.18Å; L86-L277 HydrophobicContact CD2-CD2 4.42Å; M253-L277 HydrophobicContact SD-CD1 3.88Å; I256-L277 HydrophobicContact CD1-CD2 3.73Å; K273-L277 WeakPolarHBondContact O-CB 3.41Å; K273-L277 PolarHBondContact O-N 2.91Å; L277-S279 VanDerWaalsContact C-N 3.35Å; L277-S279 PolarHBondContact O-N 3.45Å; L277-F280 PolarHBondContact O-N 3.1Å; L277-I281 HydrophobicContact CD1-CD1 3.9Å; L277-I281 HydrophobicContact CD1-CG1 4.06Å; L277-I281 HydrophobicContact CD2-CD1 4.38Å; L277-I281 HydrophobicContact CG-CD1 3.73Å; L277-I281 HydrophobicContact CG-CG1 4.33Å; L277-I281 WeakPolarHBondContact O-CB 3.46Å; L277-I281 VanDerWaalsContact O-CG1 3.22Å; L277-I281 WeakPolarHBondContact O-CG1 3.23Å; L277-I281 PolarHBondContact O-N 2.88Å |
| 278 | N | 91 | Very high | 91.4 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.4 | -177.6 | 65.1 | 0 | 0 | 0 | 112 | L117 S119 L274 N275 E276 F280 I281 E282 | L117-N278 WeakPolarHBondContact CA-OD1 3.49Å; L117-N278 WeakPolarHBondContact CB-OD1 3.47Å; L117-N278 HydrophobicContact CD2-CB 4.17Å; L117-N278 HydrophobicContact CG-CB 3.94Å; L117-N278 VanDerWaalsContact CG-OD1 3.27Å; L117-N278 WeakPolarHBondContact CG-OD1 3.49Å; S119-N278 PolarHBondContact OG-OD1 3.14Å; L274-N278 WeakPolarHBondContact O-CB 3.19Å; L274-N278 PolarHBondContact O-N 3.02Å; N275-N278 PolarHBondContact O-N 3.15Å; E276-N278 VanDerWaalsContact C-N 3.33Å; E276-N278 PolarHBondContact O-N 3.21Å; N278-F280 VanDerWaalsContact C-N 3.28Å; N278-F280 PolarHBondContact O-N 2.92Å; N278-I281 PolarHBondContact O-N 3.39Å; N278-E282 PolarHBondContact ND2-OE1 3.26Å; N278-E282 WeakPolarHBondContact O-CG 3.44Å; N278-E282 PolarHBondContact O-N 3.13Å |
| 279 | S | 92.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 42 Ų | 42 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | N275 E276 L277 E282 L283 | N275-S279 WeakPolarHBondContact O-CB 3.11Å; N275-S279 PolarHBondContact O-N 3.08Å; N275-S279 PolarHBondContact O-OG 3.2Å; E276-S279 WeakPolarHBondContact O-CB 3.35Å; E276-S279 PolarHBondContact O-N 3.24Å; E276-S279 VanDerWaalsContact O-N 3.14Å; L277-S279 VanDerWaalsContact C-N 3.35Å; L277-S279 PolarHBondContact O-N 3.45Å; S279-E282 PolarHBondContact O-N 3.43Å; S279-L283 WeakPolarHBondContact O-CB 3.25Å; S279-L283 PolarHBondContact O-N 3.12Å |
| 280 | F | 95.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -42.7 | 176.5 | -179.3 | -139.2 | 0 | 0 | 0 | 112.4 | L81 V217 E218 F221 M253 E276 L277 N278 E282 L283 I284 | L81-F280 HydrophobicContact CD1-CE1 3.97Å; L81-F280 HydrophobicContact CD2-CD1 4.16Å; L81-F280 HydrophobicContact CD2-CE1 4.02Å; V217-F280 HydrophobicContact CG1-CE1 4.07Å; V217-F280 HydrophobicContact CG1-CZ 4.25Å; E218-F280 HydrophobicContact CB-CD2 4.3Å; E218-F280 HydrophobicContact CB-CE2 4.15Å; E218-F280 HydrophobicContact CB-CZ 4.41Å; E218-F280 HydrophobicContact CG-CB 4.28Å; E218-F280 HydrophobicContact CG-CD1 3.92Å; E218-F280 HydrophobicContact CG-CD2 3.76Å; E218-F280 HydrophobicContact CG-CE1 4.11Å; E218-F280 HydrophobicContact CG-CE2 3.98Å; E218-F280 HydrophobicContact CG-CG 3.74Å; E218-F280 HydrophobicContact CG-CZ 4.13Å; F221-F280 HydrophobicContact CB-CE2 3.92Å; F221-F280 HydrophobicContact CB-CZ 3.67Å; F221-F280 HydrophobicContact CD1-CE2 4.45Å; F221-F280 AromaticContact CD1-CZ 3.73Å; F221-F280 HydrophobicContact CD1-CZ 3.73Å; F221-F280 HydrophobicContact CG-CE2 4.44Å; F221-F280 AromaticContact CG-CZ 3.74Å; F221-F280 HydrophobicContact CG-CZ 3.74Å; M253-F280 HydrophobicContact CE-CD1 4.18Å; M253-F280 HydrophobicContact SD-CD1 3.83Å; M253-F280 HydrophobicContact SD-CE1 3.92Å; E276-F280 WeakPolarHBondContact O-CB 3.35Å; E276-F280 PolarHBondContact O-N 3.27Å; L277-F280 PolarHBondContact O-N 3.1Å; N278-F280 VanDerWaalsContact C-N 3.28Å; N278-F280 PolarHBondContact O-N 2.92Å; F280-E282 VanDerWaalsContact C-N 3.35Å; F280-E282 PolarHBondContact O-N 3.13Å; F280-L283 WeakPolarHBondContact O-CB 3.42Å; F280-L283 PolarHBondContact O-N 3.23Å; F280-I284 HydrophobicContact CD1-CD1 4.15Å; F280-I284 HydrophobicContact CD2-CD1 4.16Å; F280-I284 HydrophobicContact CD2-CG1 4.09Å; F280-I284 HydrophobicContact CE1-CD1 3.81Å; F280-I284 HydrophobicContact CE2-CD1 3.81Å; F280-I284 HydrophobicContact CE2-CG1 3.77Å; F280-I284 HydrophobicContact CG-CD1 4.32Å; F280-I284 HydrophobicContact CZ-CD1 3.64Å; F280-I284 HydrophobicContact CZ-CG1 4.09Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-I284 PolarHBondContact O-N 3.01Å |
| 281 | I | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 173.9 | -69.3 | 165.4 | 0 | 0 | 0 | 110.2 | L81 L117 L277 N278 L283 I284 V285 I296 F323 | L81-I281 HydrophobicContact CD2-CG1 4.5Å; L117-I281 HydrophobicContact CD2-CD1 4.07Å; L277-I281 HydrophobicContact CD1-CD1 3.9Å; L277-I281 HydrophobicContact CD1-CG1 4.06Å; L277-I281 HydrophobicContact CD2-CD1 4.38Å; L277-I281 HydrophobicContact CG-CD1 3.73Å; L277-I281 HydrophobicContact CG-CG1 4.33Å; L277-I281 WeakPolarHBondContact O-CB 3.46Å; L277-I281 VanDerWaalsContact O-CG1 3.22Å; L277-I281 WeakPolarHBondContact O-CG1 3.23Å; L277-I281 PolarHBondContact O-N 2.88Å; N278-I281 PolarHBondContact O-N 3.39Å; I281-L283 PolarHBondContact O-N 3.39Å; I281-I284 PolarHBondContact O-N 3.27Å; I281-V285 HydrophobicContact CG2-CG2 4.14Å; I281-V285 WeakPolarHBondContact O-CB 3.38Å; I281-V285 VanDerWaalsContact O-CG2 3.24Å; I281-V285 WeakPolarHBondContact O-CG2 3.29Å; I281-V285 PolarHBondContact O-N 3.24Å; I281-I296 HydrophobicContact CB-CD1 4.41Å; I281-I296 HydrophobicContact CD1-CD1 3.78Å; I281-I296 HydrophobicContact CG1-CD1 3.69Å; I281-I296 HydrophobicContact CG2-CD1 3.84Å; I281-F323 HydrophobicContact CG2-CE2 3.94Å; I281-F323 HydrophobicContact CG2-CZ 4.12Å |
| 282 | E | 91.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.6 | -40.4 | 177.1 | -74.2 | 176.9 | -170.6 | 0 | 0 | 111.9 | N278 S279 F280 S286 | N278-E282 PolarHBondContact ND2-OE1 3.26Å; N278-E282 WeakPolarHBondContact O-CG 3.44Å; N278-E282 PolarHBondContact O-N 3.13Å; S279-E282 PolarHBondContact O-N 3.43Å; F280-E282 VanDerWaalsContact C-N 3.35Å; F280-E282 PolarHBondContact O-N 3.13Å; E282-S286 WeakPolarHBondContact O-CB 3.41Å; E282-S286 PolarHBondContact O-N 3.13Å |
| 283 | L | 92.2 | Very high | 91.2 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 34% | 0.335 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 177.5 | -175.8 | 61.7 | 0 | 0 | 0 | 112.5 | L222 S279 F280 I281 S286 | L222-L283 HydrophobicContact CD1-CD2 3.82Å; L222-L283 HydrophobicContact CD2-CD1 4.11Å; L222-L283 HydrophobicContact CD2-CD2 3.31Å; L222-L283 HydrophobicContact CD2-CG 3.68Å; L222-L283 HydrophobicContact CG-CD2 3.92Å; S279-L283 WeakPolarHBondContact O-CB 3.25Å; S279-L283 PolarHBondContact O-N 3.12Å; F280-L283 WeakPolarHBondContact O-CB 3.42Å; F280-L283 PolarHBondContact O-N 3.23Å; I281-L283 PolarHBondContact O-N 3.39Å; L283-S286 PolarHBondContact O-N 2.56Å; L283-S286 PolarHBondContact O-OG 3.04Å |
| 284 | I | 94.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 174.9 | -62 | 165.8 | 0 | 0 | 0 | 109.8 | I79 L81 F221 L225 F280 I281 S286 K287 L288 L294 | I79-I284 HydrophobicContact CD1-CG2 4.36Å; L81-I284 HydrophobicContact CD2-CD1 4.02Å; F221-I284 HydrophobicContact CD1-CD1 3.78Å; F221-I284 HydrophobicContact CD1-CG1 4.19Å; F221-I284 HydrophobicContact CE1-CD1 4.13Å; L225-I284 HydrophobicContact CD1-CB 4.48Å; L225-I284 HydrophobicContact CD1-CG1 4.33Å; L225-I284 HydrophobicContact CD1-CG2 4.12Å; F280-I284 HydrophobicContact CD1-CD1 4.15Å; F280-I284 HydrophobicContact CD2-CD1 4.16Å; F280-I284 HydrophobicContact CD2-CG1 4.09Å; F280-I284 HydrophobicContact CE1-CD1 3.81Å; F280-I284 HydrophobicContact CE2-CD1 3.81Å; F280-I284 HydrophobicContact CE2-CG1 3.77Å; F280-I284 HydrophobicContact CG-CD1 4.32Å; F280-I284 HydrophobicContact CZ-CD1 3.64Å; F280-I284 HydrophobicContact CZ-CG1 4.09Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-I284 PolarHBondContact O-N 3.01Å; I281-I284 PolarHBondContact O-N 3.27Å; I284-S286 PolarHBondContact O-N 2.69Å; I284-K287 CarbonylContact O-C 3.48Å; I284-K287 WeakPolarHBondContact O-CA 3.38Å; I284-K287 PolarHBondContact O-N 3.28Å; I284-L288 HydrophobicContact CG2-CD2 4.16Å; I284-L288 PolarHBondContact O-N 3.3Å; I284-L294 HydrophobicContact CB-CD2 4.28Å; I284-L294 HydrophobicContact CG2-CD1 4.22Å; I284-L294 HydrophobicContact CG2-CD2 3.73Å; I284-L294 HydrophobicContact CG2-CG 4.49Å |
| 285 | V | 91.2 | Very high | 91.3 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 22% | 0.218 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -38.3 | -178.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I281 K287 L288 L294 F323 | I281-V285 HydrophobicContact CG2-CG2 4.14Å; I281-V285 WeakPolarHBondContact O-CB 3.38Å; I281-V285 VanDerWaalsContact O-CG2 3.24Å; I281-V285 WeakPolarHBondContact O-CG2 3.29Å; I281-V285 PolarHBondContact O-N 3.24Å; V285-K287 PolarHBondContact O-N 3.06Å; V285-L288 HydrophobicContact CG2-CD1 4.43Å; V285-L288 PolarHBondContact O-N 3.29Å; V285-L294 HydrophobicContact CG2-CD2 4.04Å; V285-F323 HydrophobicContact CG1-CD1 4.45Å; V285-F323 HydrophobicContact CG2-CB 4.12Å; V285-F323 HydrophobicContact CG2-CD1 3.73Å; V285-F323 HydrophobicContact CG2-CD2 4.2Å; V285-F323 HydrophobicContact CG2-CE1 4.13Å; V285-F323 HydrophobicContact CG2-CG 3.76Å |
| 286 | S | 91 | Very high | 91.6 | Very high | 90 Ų | 90 | 36.2 Ų | 36.2 | 63% | 0.629 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.2 | 176.5 | 78.1 | 0 | 0 | 0 | 0 | 114.7 | E282 L283 I284 | E282-S286 WeakPolarHBondContact O-CB 3.41Å; E282-S286 PolarHBondContact O-N 3.13Å; L283-S286 PolarHBondContact O-N 2.56Å; L283-S286 PolarHBondContact O-OG 3.04Å; I284-S286 PolarHBondContact O-N 2.69Å |
| 287 | K | 91.5 | Very high | 91.7 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 30% | 0.3 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -0.3 | -176.7 | -67.1 | -176.7 | 179.6 | -68 | 0 | 113.7 | L222 L225 N226 I284 V285 Q289 | L222-K287 HydrophobicContact CD2-CD 4.4Å; L225-K287 HydrophobicContact CB-CB 4.34Å; L225-K287 HydrophobicContact CB-CD 4.08Å; L225-K287 HydrophobicContact CD1-CB 4.39Å; N226-K287 WeakPolarHBondContact OD1-CE 3.4Å; N226-K287 PolarHBondContact OD1-NZ 3.24Å; I284-K287 CarbonylContact O-C 3.48Å; I284-K287 WeakPolarHBondContact O-CA 3.38Å; I284-K287 PolarHBondContact O-N 3.28Å; V285-K287 PolarHBondContact O-N 3.06Å; K287-Q289 PolarHBondContact O-N 2.81Å |
| 288 | L | 89.9 | Confident | 91.9 | Very high | 21 Ų | 21 | 33.6 Ų | 33.6 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | trans | -64 | 134 | 177.7 | -66 | 178.7 | 0 | 0 | 0 | 110.7 | I79 I284 V285 D292 L294 F323 A325 | I79-L288 HydrophobicContact CD1-CD2 3.49Å; I79-L288 VanDerWaalsContact CD1-CD2 3.49Å; I284-L288 HydrophobicContact CG2-CD2 4.16Å; I284-L288 PolarHBondContact O-N 3.3Å; V285-L288 HydrophobicContact CG2-CD1 4.43Å; V285-L288 PolarHBondContact O-N 3.29Å; L288-D292 HydrophobicContact CB-CB 4.36Å; L288-D292 HydrophobicContact CD2-CB 3.97Å; L288-L294 HydrophobicContact CD1-CB 4.13Å; L288-L294 HydrophobicContact CD2-CB 4.12Å; L288-F323 HydrophobicContact CD1-CB 4.14Å; L288-A325 HydrophobicContact CB-CB 4.48Å | ||
| 289 | Q | 88.4 | Confident | 92.1 | Very high | 97 Ų | 97 | 32.8 Ų | 32.8 | 45% | 0.453 | 19% | 0.19 | S | C | . | . | trans | -79.4 | 163.7 | 168.9 | -61.5 | 177 | -10 | 0 | 0 | 110.2 | K287 S291 D292 A325 | K287-Q289 PolarHBondContact O-N 2.81Å; Q289-S291 PolarHBondContact O-N 3.18Å; Q289-S291 VanDerWaalsContact O-N 3.11Å; Q289-D292 WeakPolarHBondContact CB-OD2 3.2Å; Q289-D292 PolarHBondContact N-OD2 2.9Å; Q289-D292 PolarHBondContact O-N 3.19Å; Q289-A325 WeakPolarHBondContact O-CB 3.43Å | ||
| 290 | S | 83.1 | Confident | 92.3 | Very high | 93 Ų | 93 | 29.4 Ų | 29.4 | 65% | 0.65 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -30.4 | -177.1 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | R74 | R74-S290 PolarHBondContact NH2-O 2.82Š|
| 291 | S | 82.9 | Confident | 92.2 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 28% | 0.28 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -10.2 | 178.6 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | G76 Q289 | G76-S291 WeakPolarHBondContact CA-O 3.47Å; Q289-S291 PolarHBondContact O-N 3.18Å; Q289-S291 VanDerWaalsContact O-N 3.11Å |
| 292 | D | 89.7 | Confident | 92.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -73.7 | 146.8 | -174.3 | -65.8 | -18.3 | 0 | 0 | 0 | 111.5 | R77 L288 Q289 T324 | R77-D292 WeakPolarHBondContact CB-OD1 3.3Å; R77-D292 IonicContact CZ-OD1 3.92Å; R77-D292 IonicContact CZ-OD2 3.57Å; R77-D292 IonicContact NE-OD1 3.72Å; R77-D292 PolarHBondContact NE-OD1 3.3Å; R77-D292 IonicContact NE-OD2 3.69Å; R77-D292 PolarHBondContact NE-OD2 3.13Å; R77-D292 IonicContact NH2-OD1 2.78Å; R77-D292 IonicContact NH2-OD2 2.59Å; R77-D292 PolarHBondContact NH2-OD2 3.36Å; R77-D292 WeakPolarHBondContact O-CA 3.38Å; L288-D292 HydrophobicContact CB-CB 4.36Å; L288-D292 HydrophobicContact CD2-CB 3.97Å; Q289-D292 WeakPolarHBondContact CB-OD2 3.2Å; Q289-D292 PolarHBondContact N-OD2 2.9Å; Q289-D292 PolarHBondContact O-N 3.19Å; D292-T324 PolarHBondContact O-OG1 3.34Å | ||
| 293 | I | 90.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.1 | 169.7 | -52 | 176.4 | 0 | 0 | 0 | 108.2 | R77 I79 F295 V322 | R77-I293 PolarHBondContact O-N 3.01Å; R77-I293 VanDerWaalsContact O-N 3.13Å; I79-I293 PolarHBondContact N-O 2.9Å; I293-F295 HydrophobicContact CB-CE2 4.03Å; I293-F295 HydrophobicContact CG2-CD2 3.98Å; I293-F295 HydrophobicContact CG2-CE1 4.27Å; I293-F295 HydrophobicContact CG2-CE2 3.41Å; I293-F295 VanDerWaalsContact CG2-CE2 3.41Å; I293-F295 HydrophobicContact CG2-CZ 3.57Å; I293-V322 HydrophobicContact CG2-CG1 3.73Å |
| 294 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122 | 172.8 | 167.1 | 67.5 | 0 | 0 | 0 | 109.1 | I79 L81 I284 V285 L288 I296 V322 F323 | I79-L294 HydrophobicContact CB-CB 4.46Å; I79-L294 HydrophobicContact CB-CD1 3.87Å; I79-L294 HydrophobicContact CG2-CD1 3.57Å; I79-L294 WeakPolarHBondContact O-CA 3.37Å; L81-L294 HydrophobicContact CB-CD1 4.32Å; I284-L294 HydrophobicContact CB-CD2 4.28Å; I284-L294 HydrophobicContact CG2-CD1 4.22Å; I284-L294 HydrophobicContact CG2-CD2 3.73Å; I284-L294 HydrophobicContact CG2-CG 4.49Å; V285-L294 HydrophobicContact CG2-CD2 4.04Å; L288-L294 HydrophobicContact CD1-CB 4.13Å; L288-L294 HydrophobicContact CD2-CB 4.12Å; L294-I296 HydrophobicContact CD1-CG1 4.18Å; L294-I296 HydrophobicContact CD2-CD1 4.06Å; L294-I296 HydrophobicContact CD2-CG1 4.3Å; L294-I296 HydrophobicContact CG-CD1 4.35Å; L294-I296 HydrophobicContact CG-CG1 4.11Å; L294-V322 WeakPolarHBondContact O-CA 3.34Å; L294-F323 HydrophobicContact CB-CB 4.14Å; L294-F323 HydrophobicContact CD2-CB 4.2Å; L294-F323 HydrophobicContact CD2-CD2 4.04Å; L294-F323 HydrophobicContact CD2-CG 4.41Å; L294-F323 HydrophobicContact CG-CB 4.48Å; L294-F323 PolarHBondContact N-O 2.92Å; L294-F323 PolarHBondContact O-N 3.37Å |
| 295 | F | 95.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.8 | 168.5 | -61.5 | -89.6 | 0 | 0 | 0 | 109.1 | I78 I79 L80 L81 I293 L297 F320 V322 L353 L356 L373 | I78-F295 HydrophobicContact CG2-CD2 3.9Å; I78-F295 HydrophobicContact CG2-CE2 3.98Å; I79-F295 PolarHBondContact O-N 2.96Å; L80-F295 HydrophobicContact CD2-CB 3.74Å; L80-F295 HydrophobicContact CD2-CD2 3.67Å; L80-F295 HydrophobicContact CD2-CG 3.98Å; L81-F295 PolarHBondContact N-O 3.05Å; I293-F295 HydrophobicContact CB-CE2 4.03Å; I293-F295 HydrophobicContact CG2-CD2 3.98Å; I293-F295 HydrophobicContact CG2-CE1 4.27Å; I293-F295 HydrophobicContact CG2-CE2 3.41Å; I293-F295 VanDerWaalsContact CG2-CE2 3.41Å; I293-F295 HydrophobicContact CG2-CZ 3.57Å; F295-L297 HydrophobicContact CB-CD2 4.07Å; F295-L297 HydrophobicContact CB-CG 4.3Å; F295-F320 HydrophobicContact CD1-CE1 4.49Å; F295-F320 HydrophobicContact CD1-CE2 4.23Å; F295-F320 AromaticContact CD1-CZ 3.7Å; F295-F320 HydrophobicContact CD1-CZ 3.7Å; F295-F320 HydrophobicContact CE1-CZ 4.07Å; F295-V322 HydrophobicContact CD1-CG1 4.24Å; F295-V322 HydrophobicContact CD1-CG2 3.69Å; F295-V322 HydrophobicContact CE1-CG1 4.08Å; F295-V322 HydrophobicContact CE1-CG2 3.89Å; F295-L353 HydrophobicContact CD2-CD2 4.42Å; F295-L353 HydrophobicContact CE2-CD2 3.88Å; F295-L353 HydrophobicContact CZ-CD2 4.06Å; F295-L356 HydrophobicContact CZ-CD1 4Å; F295-L373 HydrophobicContact CE1-CD1 4.36Å |
| 296 | I | 96.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.4 | 170 | -60.3 | 155.6 | 0 | 0 | 0 | 107.3 | L81 V83 L86 I281 L294 I321 F323 | L81-I296 HydrophobicContact CB-CG1 4.18Å; L81-I296 HydrophobicContact CD2-CG1 4.31Å; L81-I296 VanDerWaalsContact O-CA 3.31Å; L81-I296 WeakPolarHBondContact O-CA 3.32Å; V83-I296 HydrophobicContact CG2-CG2 4.18Å; L86-I296 HydrophobicContact CD2-CG2 4.02Å; I281-I296 HydrophobicContact CB-CD1 4.41Å; I281-I296 HydrophobicContact CD1-CD1 3.78Å; I281-I296 HydrophobicContact CG1-CD1 3.69Å; I281-I296 HydrophobicContact CG2-CD1 3.84Å; L294-I296 HydrophobicContact CD1-CG1 4.18Å; L294-I296 HydrophobicContact CD2-CD1 4.06Å; L294-I296 HydrophobicContact CD2-CG1 4.3Å; L294-I296 HydrophobicContact CG-CD1 4.35Å; L294-I296 HydrophobicContact CG-CG1 4.11Å; I296-I321 HydrophobicContact CB-CB 4.25Å; I296-I321 HydrophobicContact CG2-CD1 4.41Å; I296-I321 PolarHBondContact N-O 3.12Å; I296-I321 PolarHBondContact O-N 3.1Å; I296-F323 HydrophobicContact CD1-CD2 3.84Å; I296-F323 HydrophobicContact CD1-CE2 3.63Å |
| 297 | L | 96.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.8 | -167.7 | -49.7 | 176.8 | 0 | 0 | 0 | 108.6 | L81 L82 V83 F129 F295 F320 L349 | L81-L297 PolarHBondContact O-N 3.27Å; L82-L297 CarbonylContact C-O 3.57Å; L82-L297 WeakPolarHBondContact CA-O 3.41Å; L82-L297 HydrophobicContact CD1-CB 3.66Å; V83-L297 PolarHBondContact N-O 2.77Å; F129-L297 HydrophobicContact CD1-CB 4.41Å; F129-L297 HydrophobicContact CD1-CD2 4.43Å; F129-L297 HydrophobicContact CE1-CB 4.16Å; F129-L297 HydrophobicContact CE1-CD1 4.47Å; F129-L297 HydrophobicContact CE1-CD2 4.02Å; F129-L297 HydrophobicContact CE1-CG 4.46Å; F129-L297 HydrophobicContact CZ-CD2 4.42Å; F295-L297 HydrophobicContact CB-CD2 4.07Å; F295-L297 HydrophobicContact CB-CG 4.3Å; L297-F320 HydrophobicContact CD2-CD2 3.15Å; L297-F320 HydrophobicContact CD2-CE2 3.11Å; L297-F320 HydrophobicContact CD2-CG 4.31Å; L297-F320 HydrophobicContact CD2-CZ 4.26Å; L297-L349 HydrophobicContact CD1-CD2 3.82Å; L297-L349 HydrophobicContact CD2-CD2 4.31Å |
| 298 | G | 97.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F129 A318 A319 Q346 | F129-G298 VanDerWaalsContact CD1-O 3.26Å; F129-G298 WeakPolarHBondContact CD1-O 3.47Å; G298-A318 VanDerWaalsContact O-CB 3.24Å; G298-A318 WeakPolarHBondContact O-CB 3.48Å; G298-A319 PolarHBondContact N-O 3.19Å; G298-Q346 PolarHBondContact O-NE2 2.95Å |
| 299 | D | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -80.3 | -31.3 | 173.9 | 70.3 | -36.1 | 0 | 0 | 0 | 111.8 | L82 D84 A85 T137 R140 L144 Q346 | L82-D299 HydrophobicContact CD1-CB 3.95Å; L82-D299 HydrophobicContact CD2-CB 4.36Å; L82-D299 HydrophobicContact CG-CB 4.4Å; D84-D299 WeakPolarHBondContact CA-OD1 3.49Å; A85-D299 PolarHBondContact N-OD1 3.36Å; T137-D299 WeakPolarHBondContact CA-OD2 3.24Å; R140-D299 HydrophobicContact CB-CB 3.75Å; R140-D299 WeakPolarHBondContact CD-O 3.43Å; R140-D299 HydrophobicContact CG-CB 4.09Å; R140-D299 WeakPolarHBondContact CG-O 3.43Å; L144-D299 HydrophobicContact CD1-CB 4.45Å; D299-Q346 PolarHBondContact O-NE2 3.1Å |
| 300 | H | 95.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -151.5 | 177.9 | 166.6 | 53.6 | 81.5 | 0 | 0 | 0 | 111.1 | D84 A85 L86 T135 D257 H308 | D84-H300 IonicContact OD1-CE1 3.93Å; D84-H300 PolarHBondContact OD1-CE1 3.09Å; D84-H300 IonicContact OD1-NE2 3.65Å; D84-H300 PolarHBondContact OD1-NE2 2.95Å; A85-H300 CarbonylContact C-O 3.58Å; A85-H300 WeakPolarHBondContact CA-O 3.4Å; L86-H300 CarbonylContact C-O 3.27Å; L86-H300 PolarHBondContact N-O 3.04Å; T135-H300 HydrophobicContact CG2-CB 4.13Å; T135-H300 PolarHBondContact O-CD2 3.1Å; T135-H300 VanDerWaalsContact O-CD2 3.3Å; D257-H300 IonicContact OD1-CE1 3.72Å; H300-H308 AromaticContact CD2-ND1 3.84Å; H300-H308 AromaticContact CE1-CD2 3.58Å; H300-H308 AromaticContact CE1-CE1 3.23Å; H300-H308 PolarHBondContact CE1-CE1 2.88Å; H300-H308 AromaticContact CE1-CG 3.34Å; H300-H308 AromaticContact CE1-ND1 3.12Å; H300-H308 PolarHBondContact CE1-ND1 3.39Å; H300-H308 AromaticContact CE1-NE2 3.59Å; H300-H308 AromaticContact ND1-CG 3.67Å; H300-H308 AromaticContact ND1-ND1 3.66Å; H300-H308 AromaticContact NE2-CE1 3.14Å; H300-H308 PolarHBondContact NE2-CE1 3.24Å; H300-H308 AromaticContact NE2-CG 3.88Å; H300-H308 AromaticContact NE2-ND1 3.15Å; H300-H308 PolarHBondContact NE2-ND1 3.35Å; H300-H308 VanDerWaalsContact NE2-ND1 3.15Å; H300-H308 AromaticContact NE2-NE2 3.91Å | ||
| 301 | G | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -100.2 | -162.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A314 E315 | G301-A314 CarbonylContact C-O 3.6Å; G301-A314 VanDerWaalsContact CA-O 3.24Å; G301-A314 WeakPolarHBondContact CA-O 3.06Å; G301-E315 PolarHBondContact N-O 2.85Å | ||
| 302 | M | 90.5 | Very high | 88.1 | Confident | 15 Ų | 15 | 16 Ų | 16 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | trans | -146 | 157.4 | -179.7 | 62.4 | 176.9 | 68.3 | 0 | 0 | 110.9 | A85 I256 P265 M270 A314 | A85-M302 HydrophobicContact CB-CE 3.27Å; I256-M302 HydrophobicContact CG2-CE 3.98Å; P265-M302 HydrophobicContact CB-SD 3.84Å; P265-M302 HydrophobicContact CG-SD 4.04Å; M270-M302 HydrophobicContact CE-CE 4.12Å; M270-M302 HydrophobicContact CE-SD 4.13Å; M302-A314 PolarHBondContact N-O 3.08Å; M302-A314 WeakPolarHBondContact O-CB 3.15Å | ||
| 303 | T | 85.1 | Confident | 87.9 | Confident | 11 Ų | 11 | 21.6 Ų | 21.6 | 7% | 0.067 | 11% | 0.114 | C | C | . | . | trans | -70.1 | 175.4 | 170.3 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | S305 G306 D307 E315 | T303-S305 PolarHBondContact O-N 2.66Å; T303-S305 PolarHBondContact OG1-OG 2.82Å; T303-G306 PolarHBondContact O-N 3.43Å; T303-D307 WeakPolarHBondContact CG2-O 3.5Å; T303-D307 PolarHBondContact N-O 3.02Å; T303-D307 PolarHBondContact OG1-N 2.83Å; T303-D307 VanDerWaalsContact OG1-N 3.12Å; T303-D307 PolarHBondContact OG1-O 2.8Å; T303-E315 HydrophobicContact CG2-CG 4.06Å; T303-E315 WeakPolarHBondContact CG2-OE1 3.44Å | ||
| 304 | R | 80.8 | Confident | 87.7 | Confident | 131 Ų | 131 | 24 Ų | 24 | 49% | 0.494 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.9 | 178.8 | -60.7 | -174.7 | -175 | 166.9 | 8.8 | 114.2 | P265 G306 L660 | P265-R304 WeakPolarHBondContact CD-O 3.47Å; R304-G306 VanDerWaalsContact C-N 3.35Å; R304-L660 HydrophobicContact CB-CD1 3.92Å |
| 305 | S | 76.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.8 | 172.7 | 39.6 | 0 | 0 | 0 | 0 | 112.8 | T303 D307 | T303-S305 PolarHBondContact O-N 2.66Å; T303-S305 PolarHBondContact OG1-OG 2.82Å; S305-D307 VanDerWaalsContact CB-OD2 3.29Å; S305-D307 WeakPolarHBondContact CB-OD2 3.34Å; S305-D307 PolarHBondContact OG-OD2 3.41Å |
| 306 | G | 84.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 97.6 | 2.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G260 H261 T303 R304 | G260-G306 WeakPolarHBondContact O-CA 3.45Å; H261-G306 PolarHBondContact CE1-O 3.32Å; T303-G306 PolarHBondContact O-N 3.43Å; R304-G306 VanDerWaalsContact C-N 3.35Å |
| 307 | D | 84.2 | Confident | 87.3 | Confident | 20 Ų | 20 | 27.1 Ų | 27.1 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | trans | -86.7 | 162.2 | -176.5 | -49.4 | -59 | 0 | 0 | 0 | 112.3 | T303 S305 | T303-D307 WeakPolarHBondContact CG2-O 3.5Å; T303-D307 PolarHBondContact N-O 3.02Å; T303-D307 PolarHBondContact OG1-N 2.83Å; T303-D307 VanDerWaalsContact OG1-N 3.12Å; T303-D307 PolarHBondContact OG1-O 2.8Å; S305-D307 VanDerWaalsContact CB-OD2 3.29Å; S305-D307 WeakPolarHBondContact CB-OD2 3.34Å; S305-D307 PolarHBondContact OG-OD2 3.41Å | ||
| 308 | H | 87.2 | Confident | 87.3 | Confident | 32 Ų | 32 | 26.8 Ų | 26.8 | 15% | 0.148 | 15% | 0.148 | C | C | . | . | trans | -157.8 | 173.6 | 176.3 | 61 | 103.1 | 0 | 0 | 0 | 111.2 | T135 D257 H261 H300 E315 | T135-H308 PolarHBondContact O-ND1 2.77Å; D257-H308 IonicContact OD1-CD2 2.73Å; D257-H308 IonicContact OD1-NE2 2.8Å; D257-H308 PolarHBondContact OD1-NE2 3.34Å; H261-H308 AromaticContact CE1-CD2 3.41Å; H261-H308 PolarHBondContact CE1-CD2 3.25Å; H261-H308 VanDerWaalsContact CE1-CD2 3.41Å; H261-H308 AromaticContact CE1-NE2 3.33Å; H261-H308 PolarHBondContact CE1-NE2 2.92Å; H261-H308 VanDerWaalsContact CE1-NE2 3.33Å; H261-H308 AromaticContact NE2-CD2 3.48Å; H261-H308 PolarHBondContact NE2-CD2 3.25Å; H261-H308 AromaticContact NE2-NE2 3.06Å; H261-H308 PolarHBondContact NE2-NE2 3.31Å; H300-H308 AromaticContact CD2-ND1 3.84Å; H300-H308 AromaticContact CE1-CD2 3.58Å; H300-H308 AromaticContact CE1-CE1 3.23Å; H300-H308 PolarHBondContact CE1-CE1 2.88Å; H300-H308 AromaticContact CE1-CG 3.34Å; H300-H308 AromaticContact CE1-ND1 3.12Å; H300-H308 PolarHBondContact CE1-ND1 3.39Å; H300-H308 AromaticContact CE1-NE2 3.59Å; H300-H308 AromaticContact ND1-CG 3.67Å; H300-H308 AromaticContact ND1-ND1 3.66Å; H300-H308 AromaticContact NE2-CE1 3.14Å; H300-H308 PolarHBondContact NE2-CE1 3.24Å; H300-H308 AromaticContact NE2-CG 3.88Å; H300-H308 AromaticContact NE2-ND1 3.15Å; H300-H308 PolarHBondContact NE2-ND1 3.35Å; H300-H308 VanDerWaalsContact NE2-ND1 3.15Å; H300-H308 AromaticContact NE2-NE2 3.91Å; H308-E315 WeakPolarHBondContact CA-OE2 3.44Å; H308-E315 HydrophobicContact CB-CG 4.12Å | ||
| 309 | G | 75.1 | Confident | 87.1 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 125.1 | -6.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | P134 T135 E315 | P134-G309 WeakPolarHBondContact CB-O 3.22Å; T135-G309 VanDerWaalsContact OG1-CA 3.22Å; T135-G309 WeakPolarHBondContact OG1-CA 3.47Å; T135-G309 PolarHBondContact OG1-N 3.39Å; G309-E315 PolarHBondContact N-OE2 3.21Å |
| 310 | G | 75.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 27% | 0.268 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -99.9 | -146.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | P133 T135 E315 | P133-G310 WeakPolarHBondContact CB-O 3.45Å; T135-G310 PolarHBondContact OG1-N 3.27Å; T135-G310 PolarHBondContact OG1-O 2.92Å; G310-E315 VanDerWaalsContact CA-OE2 3.3Å; G310-E315 WeakPolarHBondContact CA-OE2 3.19Å; G310-E315 PolarHBondContact N-OE2 3.49Å |
| 311 | D | 79.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 26.8 Ų | 26.8 | 28% | 0.278 | 15% | 0.149 | S | C | . | . | trans | -132 | 18.9 | -172.3 | 67.7 | -12.1 | 0 | 0 | 0 | 113.4 | P133 L316 | P133-D311 HydrophobicContact CB-CB 3.93Å; P133-D311 HydrophobicContact CG-CB 4.07Å; D311-L316 WeakPolarHBondContact O-CD1 3.36Å | ||
| 312 | S | 82.9 | Confident | 86.8 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | trans | -70.6 | 147 | 177.7 | 76.3 | 0 | 0 | 0 | 0 | 111.3 | A314 E315 L316 | S312-A314 PolarHBondContact O-N 3.23Å; S312-A314 VanDerWaalsContact O-N 3.09Å; S312-E315 WeakPolarHBondContact CB-OE1 3.35Å; S312-E315 CarbonylContact O-C 3.58Å; S312-E315 WeakPolarHBondContact O-CA 3.44Å; S312-E315 WeakPolarHBondContact O-CB 3.38Å; S312-E315 PolarHBondContact O-N 2.95Å; S312-E315 VanDerWaalsContact OG-CD 3.3Å; S312-E315 VanDerWaalsContact OG-CG 3.29Å; S312-E315 WeakPolarHBondContact OG-CG 3.4Å; S312-E315 PolarHBondContact OG-OE1 2.99Å; S312-L316 WeakPolarHBondContact O-CG 3.44Å; S312-L316 PolarHBondContact O-N 3.33Å | ||
| 313 | D | 86.6 | Confident | 86.8 | Confident | 116 Ų | 116 | 26.3 Ų | 26.3 | 62% | 0.62 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -55 | -34.6 | 179.8 | -64.8 | -36.5 | 0 | 0 | 0 | 112.5 | E315 L316 E317 | D313-E315 PolarHBondContact O-N 3.22Å; D313-L316 PolarHBondContact O-N 3.07Å; D313-E317 VanDerWaalsContact O-CB 3.31Å; D313-E317 WeakPolarHBondContact O-CB 3.43Å; D313-E317 WeakPolarHBondContact O-CG 3.43Å; D313-E317 PolarHBondContact O-N 3.14Å |
| 314 | A | 87.1 | Confident | 86.9 | Confident | 56 Ų | 56 | 26.4 Ų | 26.4 | 46% | 0.463 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.3 | -28.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G301 M302 S312 | G301-A314 CarbonylContact C-O 3.6Å; G301-A314 VanDerWaalsContact CA-O 3.24Å; G301-A314 WeakPolarHBondContact CA-O 3.06Å; M302-A314 PolarHBondContact N-O 3.08Å; M302-A314 WeakPolarHBondContact O-CB 3.15Å; S312-A314 PolarHBondContact O-N 3.23Å; S312-A314 VanDerWaalsContact O-N 3.09Å |
| 315 | E | 89.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -89.6 | -35.4 | 175.4 | -65.5 | 166.7 | -116.7 | 0 | 0 | 112.5 | T135 G301 T303 H308 G309 G310 S312 D313 | T135-E315 HydrophobicContact CG2-CB 4.07Å; T135-E315 PolarHBondContact OG1-OE2 3.39Å; G301-E315 PolarHBondContact N-O 2.85Å; T303-E315 HydrophobicContact CG2-CG 4.06Å; T303-E315 WeakPolarHBondContact CG2-OE1 3.44Å; H308-E315 WeakPolarHBondContact CA-OE2 3.44Å; H308-E315 HydrophobicContact CB-CG 4.12Å; G309-E315 PolarHBondContact N-OE2 3.21Å; G310-E315 VanDerWaalsContact CA-OE2 3.3Å; G310-E315 WeakPolarHBondContact CA-OE2 3.19Å; G310-E315 PolarHBondContact N-OE2 3.49Å; S312-E315 WeakPolarHBondContact CB-OE1 3.35Å; S312-E315 CarbonylContact O-C 3.58Å; S312-E315 WeakPolarHBondContact O-CA 3.44Å; S312-E315 WeakPolarHBondContact O-CB 3.38Å; S312-E315 PolarHBondContact O-N 2.95Å; S312-E315 VanDerWaalsContact OG-CD 3.3Å; S312-E315 VanDerWaalsContact OG-CG 3.29Å; S312-E315 WeakPolarHBondContact OG-CG 3.4Å; S312-E315 PolarHBondContact OG-OE1 2.99Å; D313-E315 PolarHBondContact O-N 3.22Å |
| 316 | L | 93.2 | Very high | 86.9 | Confident | 27 Ų | 27 | 26 Ų | 26 | 14% | 0.141 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.5 | -31.6 | -177 | -61.4 | -172.7 | 0 | 0 | 0 | 113 | A131 P133 T135 D311 S312 D313 A318 | A131-L316 PolarHBondContact N-O 3.48Å; A131-L316 WeakPolarHBondContact O-CD2 3Å; P133-L316 HydrophobicContact CB-CD2 4.29Å; T135-L316 HydrophobicContact CG2-CD2 3.69Å; D311-L316 WeakPolarHBondContact O-CD1 3.36Å; S312-L316 WeakPolarHBondContact O-CG 3.44Å; S312-L316 PolarHBondContact O-N 3.33Å; D313-L316 PolarHBondContact O-N 3.07Å; L316-A318 PolarHBondContact O-N 3.39Å |
| 317 | E | 94.9 | Very high | 86 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 80.6 | -174.7 | -61.7 | -166.8 | 151.4 | 0 | 0 | 112.3 | Y88 K128 I130 D313 R343 | Y88-E317 PolarHBondContact N-O 3.39Å; K128-E317 HydrophobicContact CD-CG 4.36Å; K128-E317 WeakPolarHBondContact CD-OE1 3.48Å; K128-E317 WeakPolarHBondContact CE-OE2 3.31Å; K128-E317 IonicContact NZ-OE1 3.72Å; K128-E317 PolarHBondContact NZ-OE1 3.35Å; K128-E317 IonicContact NZ-OE2 3.5Å; K128-E317 PolarHBondContact NZ-OE2 3.41Å; I130-E317 HydrophobicContact CD1-CG 4.24Å; D313-E317 VanDerWaalsContact O-CB 3.31Å; D313-E317 WeakPolarHBondContact O-CB 3.43Å; D313-E317 WeakPolarHBondContact O-CG 3.43Å; D313-E317 PolarHBondContact O-N 3.14Å; E317-R343 IonicContact OE1-CZ 3.79Å; E317-R343 IonicContact OE1-NH1 2.69Å; E317-R343 PolarHBondContact OE1-NH1 2.86Å; E317-R343 IonicContact OE1-NH2 3.54Å |
| 318 | A | 96.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 167 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F129 G298 L316 | F129-A318 HydrophobicContact CB-CB 4.12Å; F129-A318 PolarHBondContact N-O 2.9Å; F129-A318 WeakPolarHBondContact O-CB 3.41Å; F129-A318 PolarHBondContact O-N 2.79Å; G298-A318 VanDerWaalsContact O-CB 3.24Å; G298-A318 WeakPolarHBondContact O-CB 3.48Å; L316-A318 PolarHBondContact O-N 3.39Å |
| 319 | A | 94.7 | Very high | 84 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 141.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L86 I91 G298 | L86-A319 HydrophobicContact CD2-CB 3.99Å; L86-A319 HydrophobicContact CG-CB 3.86Å; L86-A319 WeakPolarHBondContact O-CB 3.4Å; L86-A319 PolarHBondContact O-N 3Å; I91-A319 HydrophobicContact CD1-CB 3.68Å; I91-A319 HydrophobicContact CG1-CB 4.23Å; G298-A319 PolarHBondContact N-O 3.19Å |
| 320 | F | 94.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 118.2 | 168.6 | -169.6 | -99.2 | 0 | 0 | 0 | 109.6 | Y125 I126 G127 F129 F295 L297 V322 L344 L349 L373 | Y125-F320 AromaticContact CD1-CD1 3.55Å; Y125-F320 HydrophobicContact CD1-CD1 3.55Å; Y125-F320 AromaticContact CD1-CE1 3.96Å; Y125-F320 HydrophobicContact CD1-CE1 3.96Å; Y125-F320 AromaticContact CE1-CD1 3.49Å; Y125-F320 HydrophobicContact CE1-CD1 3.49Å; Y125-F320 VanDerWaalsContact CE1-CD1 3.49Å; Y125-F320 HydrophobicContact CE1-CE1 4.07Å; I126-F320 CarbonylContact C-O 3.6Å; I126-F320 WeakPolarHBondContact CA-O 3.15Å; G127-F320 PolarHBondContact N-O 2.92Å; G127-F320 PolarHBondContact O-N 2.94Å; F129-F320 HydrophobicContact CB-CB 3.85Å; F129-F320 HydrophobicContact CD1-CD2 4.1Å; F129-F320 HydrophobicContact CD2-CB 4.36Å; F129-F320 AromaticContact CD2-CD2 3.75Å; F129-F320 HydrophobicContact CD2-CD2 3.75Å; F129-F320 HydrophobicContact CD2-CE2 4.42Å; F129-F320 HydrophobicContact CD2-CG 4.31Å; F129-F320 HydrophobicContact CE1-CD2 4.26Å; F129-F320 AromaticContact CE2-CD2 3.89Å; F129-F320 HydrophobicContact CE2-CD2 3.89Å; F129-F320 HydrophobicContact CE2-CE2 4.14Å; F129-F320 HydrophobicContact CG-CB 4.1Å; F129-F320 AromaticContact CG-CD2 3.89Å; F129-F320 HydrophobicContact CG-CD2 3.89Å; F129-F320 HydrophobicContact CG-CG 4.4Å; F129-F320 HydrophobicContact CZ-CD2 4.18Å; F129-F320 HydrophobicContact CZ-CE2 4.34Å; F295-F320 HydrophobicContact CD1-CE1 4.49Å; F295-F320 HydrophobicContact CD1-CE2 4.23Å; F295-F320 AromaticContact CD1-CZ 3.7Å; F295-F320 HydrophobicContact CD1-CZ 3.7Å; F295-F320 HydrophobicContact CE1-CZ 4.07Å; L297-F320 HydrophobicContact CD2-CD2 3.15Å; L297-F320 HydrophobicContact CD2-CE2 3.11Å; L297-F320 HydrophobicContact CD2-CG 4.31Å; L297-F320 HydrophobicContact CD2-CZ 4.26Å; F320-V322 HydrophobicContact CD1-CG2 4.01Å; F320-V322 HydrophobicContact CE1-CG2 3.34Å; F320-V322 HydrophobicContact CZ-CG2 3.87Å; F320-L344 HydrophobicContact CD1-CD2 4.18Å; F320-L344 HydrophobicContact CD2-CD2 4.02Å; F320-L344 HydrophobicContact CE1-CD2 3.88Å; F320-L344 HydrophobicContact CE2-CD2 3.72Å; F320-L344 HydrophobicContact CG-CD2 4.24Å; F320-L344 HydrophobicContact CZ-CD2 3.66Å; F320-L349 HydrophobicContact CE2-CD1 4Å; F320-L349 HydrophobicContact CE2-CD2 4.47Å; F320-L349 HydrophobicContact CZ-CD1 4.13Å; F320-L373 HydrophobicContact CE1-CD1 3.71Å; F320-L373 HydrophobicContact CE1-CD2 3.99Å; F320-L373 HydrophobicContact CE1-CG 4.46Å; F320-L373 HydrophobicContact CZ-CD1 3.58Å |
| 321 | I | 93 | Very high | 82.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.5 | -179.4 | -50.1 | 156.2 | 0 | 0 | 0 | 109.4 | I91 L120 A123 Y125 I126 I296 F323 | I91-I321 HydrophobicContact CD1-CD1 3.97Å; I91-I321 HydrophobicContact CD1-CG1 4.01Å; L120-I321 HydrophobicContact CD2-CD1 3.58Å; L120-I321 HydrophobicContact CD2-CG1 4.01Å; L120-I321 HydrophobicContact CD2-CG2 4.05Å; A123-I321 HydrophobicContact CB-CG2 3.72Å; Y125-I321 CarbonylContact O-C 3.19Å; Y125-I321 WeakPolarHBondContact O-CA 3.37Å; I126-I321 HydrophobicContact CG1-CG2 4.16Å; I296-I321 HydrophobicContact CB-CB 4.25Å; I296-I321 HydrophobicContact CG2-CD1 4.41Å; I296-I321 PolarHBondContact N-O 3.12Å; I296-I321 PolarHBondContact O-N 3.1Å; I321-F323 HydrophobicContact CB-CE2 4.43Å; I321-F323 HydrophobicContact CG2-CD2 3.93Å; I321-F323 HydrophobicContact CG2-CE2 3.34Å; I321-F323 HydrophobicContact CG2-CZ 3.95Å |
| 322 | V | 91.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.4 | 178.1 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | A124 Y125 I293 L294 F295 F320 L330 L373 | A124-V322 PolarHBondContact N-O 3.17Å; Y125-V322 HydrophobicContact CD1-CG2 4.45Å; Y125-V322 PolarHBondContact N-O 3.41Å; Y125-V322 PolarHBondContact O-N 3.42Å; I293-V322 HydrophobicContact CG2-CG1 3.73Å; L294-V322 WeakPolarHBondContact O-CA 3.34Å; F295-V322 HydrophobicContact CD1-CG1 4.24Å; F295-V322 HydrophobicContact CD1-CG2 3.69Å; F295-V322 HydrophobicContact CE1-CG1 4.08Å; F295-V322 HydrophobicContact CE1-CG2 3.89Å; F320-V322 HydrophobicContact CD1-CG2 4.01Å; F320-V322 HydrophobicContact CE1-CG2 3.34Å; F320-V322 HydrophobicContact CZ-CG2 3.87Å; V322-L330 HydrophobicContact CG1-CD1 3.91Å; V322-L373 HydrophobicContact CG2-CD2 3.89Å |
| 323 | F | 90.8 | Very high | 80.5 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.5 | 172.9 | -68.6 | -89.1 | 0 | 0 | 0 | 110.5 | S119 K122 A123 I281 V285 L288 L294 I296 I321 | S119-F323 VanDerWaalsContact O-CE1 3.24Å; S119-F323 WeakPolarHBondContact O-CE1 3.49Å; K122-F323 HydrophobicContact CB-CE1 4.22Å; A123-F323 VanDerWaalsContact CA-CE1 3.47Å; A123-F323 HydrophobicContact CB-CD1 4.25Å; A123-F323 HydrophobicContact CB-CE1 3.77Å; A123-F323 HydrophobicContact CB-CE2 4.32Å; A123-F323 HydrophobicContact CB-CZ 3.81Å; I281-F323 HydrophobicContact CG2-CE2 3.94Å; I281-F323 HydrophobicContact CG2-CZ 4.12Å; V285-F323 HydrophobicContact CG1-CD1 4.45Å; V285-F323 HydrophobicContact CG2-CB 4.12Å; V285-F323 HydrophobicContact CG2-CD1 3.73Å; V285-F323 HydrophobicContact CG2-CD2 4.2Å; V285-F323 HydrophobicContact CG2-CE1 4.13Å; V285-F323 HydrophobicContact CG2-CG 3.76Å; L288-F323 HydrophobicContact CD1-CB 4.14Å; L294-F323 HydrophobicContact CB-CB 4.14Å; L294-F323 HydrophobicContact CD2-CB 4.2Å; L294-F323 HydrophobicContact CD2-CD2 4.04Å; L294-F323 HydrophobicContact CD2-CG 4.41Å; L294-F323 HydrophobicContact CG-CB 4.48Å; L294-F323 PolarHBondContact N-O 2.92Å; L294-F323 PolarHBondContact O-N 3.37Å; I296-F323 HydrophobicContact CD1-CD2 3.84Å; I296-F323 HydrophobicContact CD1-CE2 3.63Å; I321-F323 HydrophobicContact CB-CE2 4.43Å; I321-F323 HydrophobicContact CG2-CD2 3.93Å; I321-F323 HydrophobicContact CG2-CE2 3.34Å; I321-F323 HydrophobicContact CG2-CZ 3.95Å |
| 324 | T | 86.9 | Confident | 78.8 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 149.5 | 170 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | A124 D292 D326 S329 L330 | A124-T324 HydrophobicContact CB-CG2 4.06Å; D292-T324 PolarHBondContact O-OG1 3.34Å; T324-D326 VanDerWaalsContact C-N 3.26Å; T324-D326 WeakPolarHBondContact CG2-O 2.86Å; T324-D326 PolarHBondContact O-N 3.48Å; T324-S329 PolarHBondContact OG1-OG 3.07Å; T324-L330 HydrophobicContact CG2-CD1 3.82Å; T324-L330 HydrophobicContact CG2-CG 4.28Å |
| 325 | A | 80 | Confident | 77.1 | Confident | 62 Ų | 62 | 42.7 Ų | 42.7 | 51% | 0.512 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -68.4 | -29.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L288 Q289 | L288-A325 HydrophobicContact CB-CB 4.48Å; Q289-A325 WeakPolarHBondContact O-CB 3.43Å |
| 326 | D | 76.6 | Confident | 75.1 | Confident | 73 Ų | 73 | 48 Ų | 48 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | trans | -113.8 | 105.4 | 178.8 | 179.7 | 6.6 | 0 | 0 | 0 | 109.8 | T324 D328 S329 | T324-D326 VanDerWaalsContact C-N 3.26Å; T324-D326 WeakPolarHBondContact CG2-O 2.86Å; T324-D326 PolarHBondContact O-N 3.48Å; D326-D328 PolarHBondContact O-N 3.49Å; D326-D328 PolarHBondContact OD1-N 2.61Å; D326-S329 WeakPolarHBondContact O-CB 2.91Å; D326-S329 PolarHBondContact O-N 3.26Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 3.34Å | ||
| 327 | K | 66.4 | Low | 72.9 | Confident | 107 Ų | 107 | 54 Ų | 54 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -65.3 | -27.4 | -177 | -72.1 | -168.7 | 176 | -167.6 | 0 | 113.1 | K122 S329 | K122-K327 WeakPolarHBondContact O-CE 3.35Å; K327-S329 PolarHBondContact O-N 3.18Å; K327-S329 VanDerWaalsContact O-N 3.16Å |
| 328 | D | 64.6 | Low | 70.8 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 67% | 0.674 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -73.2 | -6 | 179.7 | -62.6 | -24.1 | 0 | 0 | 0 | 111.8 | D326 H376 | D326-D328 PolarHBondContact O-N 3.49Å; D326-D328 PolarHBondContact OD1-N 2.61Å; D328-H376 PolarHBondContact O-CD2 2.78Å; D328-H376 VanDerWaalsContact O-CD2 3.29Å |
| 329 | S | 64.6 | Low | 68.8 | Low | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -83.6 | -5.3 | -177.7 | 75.3 | 0 | 0 | 0 | 0 | 115.5 | R74 T324 D326 K327 G375 | R74-S329 PolarHBondContact NH1-OG 3.37Å; R74-S329 PolarHBondContact NH2-OG 2.74Å; T324-S329 PolarHBondContact OG1-OG 3.07Å; D326-S329 WeakPolarHBondContact O-CB 2.91Å; D326-S329 PolarHBondContact O-N 3.26Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 3.34Å; K327-S329 PolarHBondContact O-N 3.18Å; K327-S329 VanDerWaalsContact O-N 3.16Å; S329-G375 WeakPolarHBondContact O-CA 3.49Å |
| 330 | L | 65.5 | Low | 66.9 | Low | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -122.5 | 141 | 176.4 | -68 | 172.1 | 0 | 0 | 0 | 109.5 | A124 V322 T324 I332 L373 | A124-L330 HydrophobicContact CB-CD1 3.79Å; V322-L330 HydrophobicContact CG1-CD1 3.91Å; T324-L330 HydrophobicContact CG2-CD1 3.82Å; T324-L330 HydrophobicContact CG2-CG 4.28Å; L330-I332 HydrophobicContact CB-CG1 4.3Å; L330-I332 PolarHBondContact O-N 3.46Å; L330-L373 WeakPolarHBondContact CD2-O 3.47Å |
| 331 | I | 58.8 | Low | 65.4 | Low | 36 Ų | 36 | 69.5 Ų | 69.5 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | trans | -75.4 | 81.3 | 172.3 | -59.2 | 162.9 | 0 | 0 | 0 | 108.2 | K333 H372 L374 | I331-K333 VanDerWaalsContact C-N 3.35Å; I331-K333 HydrophobicContact CG2-CG 4.16Å; I331-K333 PolarHBondContact O-N 2.93Å; I331-K333 VanDerWaalsContact O-N 3.13Å; I331-H372 VanDerWaalsContact O-O 3.08Å; I331-L374 WeakPolarHBondContact CB-O 3.29Å; I331-L374 WeakPolarHBondContact CD1-O 3.36Å; I331-L374 WeakPolarHBondContact CG1-O 2.92Å; I331-L374 PolarHBondContact N-O 2.82Å | ||
| 332 | I | 58.5 | Low | 64.8 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | trans | -82.3 | 90.7 | 167.3 | -51.7 | 162.7 | 0 | 0 | 0 | 105.9 | A124 L330 D334 | A124-I332 HydrophobicContact CB-CD1 3.98Å; A124-I332 WeakPolarHBondContact O-CD1 3.36Å; L330-I332 HydrophobicContact CB-CG1 4.3Å; L330-I332 PolarHBondContact O-N 3.46Å; I332-D334 PolarHBondContact O-N 3.34Å | ||
| 333 | K | 55.4 | Low | 64.7 | Low | 102 Ų | 102 | 76.9 Ų | 76.9 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | trans | -57.6 | 127.9 | 163.6 | -75 | 177.6 | -175.8 | 153.6 | 0 | 107 | I331 D335 D371 | I331-K333 VanDerWaalsContact C-N 3.35Å; I331-K333 HydrophobicContact CG2-CG 4.16Å; I331-K333 PolarHBondContact O-N 2.93Å; I331-K333 VanDerWaalsContact O-N 3.13Å; K333-D335 PolarHBondContact O-N 2.85Å; K333-D371 IonicContact NZ-OD2 3.11Å; K333-D371 PolarHBondContact NZ-OD2 3Å; K333-D371 VanDerWaalsContact NZ-OD2 3.11Å | ||
| 334 | D | 51.6 | Low | 64.7 | Low | 147 Ų | 147 | 76.8 Ų | 76.8 | 79% | 0.786 | 40% | 0.4 | S | S | * | . | trans | -69.7 | 69.7 | 173.4 | -115.1 | -8.4 | 0 | 0 | 0 | 108.8 | I332 S336 | I332-D334 PolarHBondContact O-N 3.34Å; D334-S336 PolarHBondContact O-N 3.26Å | ||
| 335 | D | 51.7 | Low | 65.1 | Low | 74 Ų | 74 | 78.1 Ų | 78.1 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | trans | -72.1 | 82.5 | 162.2 | -68.9 | -20 | 0 | 0 | 0 | 105.4 | K333 E337 R342 H372 | K333-D335 PolarHBondContact O-N 2.85Å; D335-E337 PolarHBondContact O-N 3.01Å; D335-R342 PolarHBondContact O-NH2 3.39Å; D335-H372 IonicContact OD2-CE1 3.56Å | ||
| 336 | S | 47.4 | Very low | 65.8 | Low | 116 Ų | 116 | 75.1 Ų | 75.1 | 81% | 0.811 | 39% | 0.385 | S | S | * | . | trans | -64 | -8.6 | 166.1 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | D334 N338 | D334-S336 PolarHBondContact O-N 3.26Å; S336-N338 PolarHBondContact O-N 2.8Å | ||
| 337 | E | 47.5 | Very low | 66.7 | Low | 153 Ų | 153 | 71.7 Ų | 71.7 | 72% | 0.715 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -68.8 | 96 | 162.1 | -69.8 | -167.1 | 170.5 | 0 | 0 | 110 | D335 | D335-E337 PolarHBondContact O-N 3.01Š|
| 338 | N | 50.8 | Low | 68.1 | Low | 106 Ų | 106 | 67.7 Ų | 67.7 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | trans | 32.4 | 111.1 | 162.8 | -90.1 | -1.3 | 0 | 0 | 0 | 116 | S336 T340 N341 | S336-N338 PolarHBondContact O-N 2.8Å; N338-T340 WeakPolarHBondContact CB-OG1 3.45Å; N338-T340 PolarHBondContact O-N 3.5Å; N338-N341 PolarHBondContact O-N 3Å | ||
| 339 | Q | 53.4 | Low | 69.5 | Low | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -43.8 | -29.8 | 169.2 | -71 | -177.8 | -14.8 | 0 | 0 | 113.3 | N341 R342 | Q339-N341 PolarHBondContact O-N 2.93Å; Q339-R342 PolarHBondContact O-N 2.78Å |
| 340 | T | 55 | Low | 71 | Confident | 36 Ų | 36 | 61 Ų | 61 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -57.4 | -23.5 | 175.4 | 68.3 | 0 | 0 | 0 | 0 | 115.3 | E96 N338 | E96-T340 WeakPolarHBondContact OE1-CG2 3.3Å; E96-T340 VanDerWaalsContact OE2-CG2 3.27Å; E96-T340 WeakPolarHBondContact OE2-CG2 3.34Å; N338-T340 WeakPolarHBondContact CB-OG1 3.45Å; N338-T340 PolarHBondContact O-N 3.5Å |
| 341 | N | 62.9 | Low | 72.3 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -91.8 | -8.4 | -177.7 | -81.5 | -2.7 | 0 | 0 | 0 | 114.1 | N338 Q339 R343 | N338-N341 PolarHBondContact O-N 3Å; Q339-N341 PolarHBondContact O-N 2.93Å; N341-R343 PolarHBondContact O-N 3.2Å |
| 342 | R | 80.9 | Confident | 73.9 | Confident | 38 Ų | 38 | 59 Ų | 59 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | trans | -72.3 | 103.3 | 178.6 | -67.7 | -176.2 | -176.8 | -173.3 | 0.4 | 109.9 | I126 G127 K128 D335 Q339 | I126-R342 WeakPolarHBondContact O-CD 3.35Å; G127-R342 WeakPolarHBondContact CA-O 3.49Å; K128-R342 PolarHBondContact N-O 3.45Å; D335-R342 PolarHBondContact O-NH2 3.39Å; Q339-R342 PolarHBondContact O-N 2.78Å | ||
| 343 | R | 89.4 | Confident | 75.5 | Confident | 118 Ų | 118 | 56 Ų | 56 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.6 | 180 | -62.4 | 176.2 | 77.7 | 94.3 | -2.2 | 109.6 | K128 I130 E317 N341 | K128-R343 HydrophobicContact CB-CG 4.26Å; K128-R343 HydrophobicContact CD-CG 4.34Å; K128-R343 WeakPolarHBondContact O-CA 3.49Å; I130-R343 HydrophobicContact CD1-CB 4.49Å; I130-R343 HydrophobicContact CD1-CG 4.36Å; I130-R343 VanDerWaalsContact CD1-CZ 3.45Å; I130-R343 VanDerWaalsContact CD1-NH2 3.28Å; I130-R343 HydrophobicContact CG1-CB 4.1Å; I130-R343 HydrophobicContact CG1-CG 4.46Å; E317-R343 IonicContact OE1-CZ 3.79Å; E317-R343 IonicContact OE1-NH1 2.69Å; E317-R343 PolarHBondContact OE1-NH1 2.86Å; E317-R343 IonicContact OE1-NH2 3.54Å; N341-R343 PolarHBondContact O-N 3.2Å |
| 344 | L | 91.9 | Very high | 77.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.6 | 172.7 | 175.6 | 65.3 | 0 | 0 | 0 | 108.2 | K128 F129 I130 F320 D348 Y370 L373 | K128-L344 PolarHBondContact O-N 3.08Å; F129-L344 CarbonylContact C-O 3.54Å; F129-L344 WeakPolarHBondContact CA-O 3.31Å; F129-L344 HydrophobicContact CD2-CB 4.19Å; F129-L344 HydrophobicContact CD2-CD2 3.94Å; F129-L344 HydrophobicContact CD2-CG 4.01Å; F129-L344 HydrophobicContact CE2-CD2 3.73Å; F129-L344 HydrophobicContact CE2-CG 3.96Å; I130-L344 PolarHBondContact N-O 2.98Å; F320-L344 HydrophobicContact CD1-CD2 4.18Å; F320-L344 HydrophobicContact CD2-CD2 4.02Å; F320-L344 HydrophobicContact CE1-CD2 3.88Å; F320-L344 HydrophobicContact CE2-CD2 3.72Å; F320-L344 HydrophobicContact CG-CD2 4.24Å; F320-L344 HydrophobicContact CZ-CD2 3.66Å; L344-D348 HydrophobicContact CD1-CB 3.81Å; L344-Y370 HydrophobicContact CD1-CD1 3.71Å; L344-Y370 HydrophobicContact CD1-CD2 4.04Å; L344-Y370 HydrophobicContact CD1-CE1 4.26Å; L344-Y370 HydrophobicContact CD1-CG 3.59Å; L344-L373 HydrophobicContact CD2-CD1 4.18Å |
| 345 | C | 93.9 | Very high | 78.9 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.8 | 172 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | I347 D348 | C345-I347 HydrophobicContact CB-CG1 4.27Å; C345-I347 PolarHBondContact O-N 2.9Å; C345-D348 WeakPolarHBondContact CB-OD2 3.24Å; C345-D348 WeakPolarHBondContact O-CB 3.34Å; C345-D348 PolarHBondContact O-N 3.41Å |
| 346 | Q | 95.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -55.9 | -38.9 | -177.5 | -75.9 | -175.9 | -17.8 | 0 | 0 | 114.2 | F129 I130 L144 G298 D299 D348 L349 | F129-Q346 HydrophobicContact CD1-CG 3.76Å; F129-Q346 HydrophobicContact CD2-CG 3.93Å; F129-Q346 HydrophobicContact CE1-CB 4.45Å; F129-Q346 HydrophobicContact CE1-CG 3.64Å; F129-Q346 VanDerWaalsContact CE2-CA 3.45Å; F129-Q346 HydrophobicContact CE2-CB 4.19Å; F129-Q346 HydrophobicContact CE2-CG 3.83Å; F129-Q346 HydrophobicContact CG-CG 3.88Å; F129-Q346 HydrophobicContact CZ-CB 4.03Å; F129-Q346 HydrophobicContact CZ-CG 3.65Å; I130-Q346 WeakPolarHBondContact O-CG 3.38Å; I130-Q346 PolarHBondContact O-N 3.11Å; L144-Q346 HydrophobicContact CD2-CB 3.85Å; L144-Q346 HydrophobicContact CD2-CG 4.01Å; G298-Q346 PolarHBondContact O-NE2 2.95Å; D299-Q346 PolarHBondContact O-NE2 3.1Å; Q346-D348 PolarHBondContact O-N 3.24Å; Q346-L349 VanDerWaalsContact O-CB 3.32Å; Q346-L349 WeakPolarHBondContact O-CB 3.14Å; Q346-L349 PolarHBondContact O-N 3.32Å |
| 347 | I | 94.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -65.8 | -25.7 | 179.3 | 61 | 172.5 | 0 | 0 | 0 | 113.1 | A143 M149 C345 L349 V350 P351 G367 | A143-I347 HydrophobicContact CB-CG2 4.33Å; M149-I347 HydrophobicContact CG-CD1 4.04Å; C345-I347 HydrophobicContact CB-CG1 4.27Å; C345-I347 PolarHBondContact O-N 2.9Å; I347-L349 PolarHBondContact O-N 3.17Å; I347-V350 PolarHBondContact O-N 3.48Å; I347-P351 WeakPolarHBondContact O-CD 3.24Å; I347-G367 WeakPolarHBondContact O-CA 3.49Å |
| 348 | D | 95.3 | Very high | 84.3 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -73.4 | -15.1 | -179.9 | -64.7 | -16.2 | 0 | 0 | 0 | 112.1 | L344 C345 Q346 V350 P351 T352 G367 I368 | L344-D348 HydrophobicContact CD1-CB 3.81Å; C345-D348 WeakPolarHBondContact CB-OD2 3.24Å; C345-D348 WeakPolarHBondContact O-CB 3.34Å; C345-D348 PolarHBondContact O-N 3.41Å; Q346-D348 PolarHBondContact O-N 3.24Å; D348-V350 VanDerWaalsContact C-N 3.31Å; D348-V350 PolarHBondContact O-N 3.48Å; D348-P351 WeakPolarHBondContact O-CD 3.12Å; D348-P351 WeakPolarHBondContact O-CG 3.48Å; D348-T352 PolarHBondContact O-OG1 3.21Å; D348-G367 WeakPolarHBondContact OD1-CA 3.21Å; D348-I368 WeakPolarHBondContact CB-O 3.03Å; D348-I368 PolarHBondContact OD1-N 2.88Å |
| 349 | L | 95.3 | Very high | 86 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 175.3 | -174.3 | 62.2 | 0 | 0 | 0 | 111.9 | F129 L144 L297 F320 Q346 I347 T352 L353 | F129-L349 HydrophobicContact CE1-CD2 4.46Å; F129-L349 HydrophobicContact CE2-CB 4.28Å; F129-L349 HydrophobicContact CE2-CD2 4.48Å; F129-L349 HydrophobicContact CZ-CB 4.1Å; F129-L349 HydrophobicContact CZ-CD2 3.7Å; F129-L349 HydrophobicContact CZ-CG 4.46Å; L144-L349 HydrophobicContact CD2-CD2 4.33Å; L297-L349 HydrophobicContact CD1-CD2 3.82Å; L297-L349 HydrophobicContact CD2-CD2 4.31Å; F320-L349 HydrophobicContact CE2-CD1 4Å; F320-L349 HydrophobicContact CE2-CD2 4.47Å; F320-L349 HydrophobicContact CZ-CD1 4.13Å; Q346-L349 VanDerWaalsContact O-CB 3.32Å; Q346-L349 WeakPolarHBondContact O-CB 3.14Å; Q346-L349 PolarHBondContact O-N 3.32Å; I347-L349 PolarHBondContact O-N 3.17Å; L349-T352 WeakPolarHBondContact O-CB 3.44Å; L349-T352 PolarHBondContact O-N 2.71Å; L349-L353 HydrophobicContact CD1-CD1 4.09Å; L349-L353 HydrophobicContact CD1-CD2 4.33Å; L349-L353 HydrophobicContact CD1-CG 3.87Å; L349-L353 HydrophobicContact CD2-CD1 4.02Å; L349-L353 HydrophobicContact CG-CD1 3.71Å; L349-L353 HydrophobicContact CG-CG 3.92Å; L349-L353 WeakPolarHBondContact O-CB 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.39Å; L349-L353 PolarHBondContact O-N 2.84Å |
| 350 | V | 96 | Very high | 87.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -55.9 | -175.2 | 174 | 0 | 0 | 0 | 0 | 113.6 | L144 I347 D348 T352 L353 S354 P362 N365 | L144-V350 WeakPolarHBondContact O-CG2 3.44Å; I347-V350 PolarHBondContact O-N 3.48Å; D348-V350 VanDerWaalsContact C-N 3.31Å; D348-V350 PolarHBondContact O-N 3.48Å; V350-T352 PolarHBondContact O-N 2.84Å; V350-L353 PolarHBondContact O-N 2.79Å; V350-S354 WeakPolarHBondContact O-CB 3.43Å; V350-S354 PolarHBondContact O-N 3.06Å; V350-S354 PolarHBondContact O-OG 3.03Å; V350-P362 HydrophobicContact CG1-CG 3.7Å; V350-N365 HydrophobicContact CG1-CB 4.47Å |
| 351 | P | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -30.6 | 177.9 | 27.1 | -36.4 | 0 | 0 | 0 | 111.8 | I347 D348 L355 I361 N365 | I347-P351 WeakPolarHBondContact O-CD 3.24Å; D348-P351 WeakPolarHBondContact O-CD 3.12Å; D348-P351 WeakPolarHBondContact O-CG 3.48Å; P351-L355 PolarHBondContact O-N 3.33Å; P351-L355 VanDerWaalsContact O-N 3.1Å; P351-I361 HydrophobicContact CB-CD1 3.97Å; P351-I361 HydrophobicContact CB-CG1 4.26Å; P351-I361 HydrophobicContact CB-CG2 4.14Å; P351-N365 WeakPolarHBondContact CD-OD1 3.42Å |
| 352 | T | 91.9 | Very high | 91 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.9 | -47.8 | 177.8 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | D348 L349 V350 L355 L356 Y370 L373 L374 | D348-T352 PolarHBondContact O-OG1 3.21Å; L349-T352 WeakPolarHBondContact O-CB 3.44Å; L349-T352 PolarHBondContact O-N 2.71Å; V350-T352 PolarHBondContact O-N 2.84Å; T352-L355 PolarHBondContact O-N 2.72Å; T352-L356 HydrophobicContact CG2-CD1 4.38Å; T352-L356 WeakPolarHBondContact O-CG 3.25Å; T352-L356 PolarHBondContact O-N 3.31Å; T352-Y370 PolarHBondContact OG1-N 3.05Å; T352-L373 HydrophobicContact CG2-CB 3.97Å; T352-L373 HydrophobicContact CG2-CD1 4.31Å; T352-L374 HydrophobicContact CG2-CD2 4.29Å |
| 353 | L | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.9 | -36.8 | 175.9 | -71.6 | -179.6 | 0 | 0 | 0 | 112.5 | I78 L80 L169 W173 F295 L349 V350 L355 L356 T357 | I78-L353 HydrophobicContact CD1-CD2 4.07Å; L80-L353 HydrophobicContact CD1-CD1 4.39Å; L80-L353 HydrophobicContact CD2-CD1 4.41Å; L169-L353 HydrophobicContact CD2-CB 3.65Å; L169-L353 HydrophobicContact CD2-CD1 3.8Å; L169-L353 HydrophobicContact CD2-CG 4.4Å; W173-L353 HydrophobicContact CH2-CD1 4.38Å; W173-L353 HydrophobicContact CZ2-CB 4.33Å; F295-L353 HydrophobicContact CD2-CD2 4.42Å; F295-L353 HydrophobicContact CE2-CD2 3.88Å; F295-L353 HydrophobicContact CZ-CD2 4.06Å; L349-L353 HydrophobicContact CD1-CD1 4.09Å; L349-L353 HydrophobicContact CD1-CD2 4.33Å; L349-L353 HydrophobicContact CD1-CG 3.87Å; L349-L353 HydrophobicContact CD2-CD1 4.02Å; L349-L353 HydrophobicContact CG-CD1 3.71Å; L349-L353 HydrophobicContact CG-CG 3.92Å; L349-L353 WeakPolarHBondContact O-CB 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.39Å; L349-L353 PolarHBondContact O-N 2.84Å; V350-L353 PolarHBondContact O-N 2.79Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 PolarHBondContact O-N 3.44Å; L353-L356 HydrophobicContact CD2-CD1 4.22Å; L353-L356 PolarHBondContact O-N 3.04Å; L353-T357 WeakPolarHBondContact O-CB 3.12Å; L353-T357 WeakPolarHBondContact O-CG2 3.46Å; L353-T357 PolarHBondContact O-N 3.06Å; L353-T357 PolarHBondContact O-OG1 3.14Å |
| 354 | S | 91.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.8 | -46 | 172.5 | -75.7 | 0 | 0 | 0 | 0 | 111.3 | L169 V350 T357 N358 V359 P360 I361 P362 | L169-S354 WeakPolarHBondContact CD1-OG 3.33Å; V350-S354 WeakPolarHBondContact O-CB 3.43Å; V350-S354 PolarHBondContact O-N 3.06Å; V350-S354 PolarHBondContact O-OG 3.03Å; S354-T357 PolarHBondContact O-N 3.48Å; S354-T357 PolarHBondContact O-OG1 3.15Å; S354-N358 PolarHBondContact O-N 3.15Å; S354-V359 CarbonylContact C-O 3.37Å; S354-V359 WeakPolarHBondContact CB-O 3.43Å; S354-V359 PolarHBondContact O-N 3.25Å; S354-V359 VanDerWaalsContact O-O 3.12Å; S354-P360 PolarHBondContact OG-O 2.82Å; S354-I361 WeakPolarHBondContact OG-CA 3.4Å; S354-P362 WeakPolarHBondContact OG-CD 3.44Å |
| 355 | L | 86.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 11 Ų | 11 | 6% | 0.058 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 178.1 | -162.4 | 72.5 | 0 | 0 | 0 | 112 | V72 P351 T352 L353 T357 N358 L369 L374 | V72-L355 HydrophobicContact CG1-CD1 3.15Å; V72-L355 HydrophobicContact CG1-CD2 4.23Å; V72-L355 HydrophobicContact CG1-CG 3.41Å; V72-L355 VanDerWaalsContact CG1-CG 3.41Å; P351-L355 PolarHBondContact O-N 3.33Å; P351-L355 VanDerWaalsContact O-N 3.1Å; T352-L355 PolarHBondContact O-N 2.72Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 PolarHBondContact O-N 3.44Å; L355-T357 PolarHBondContact O-N 3.41Å; L355-N358 PolarHBondContact O-N 3.04Å; L355-L369 HydrophobicContact CB-CD1 4.11Å; L355-L369 HydrophobicContact CD2-CD1 3.77Å; L355-L369 HydrophobicContact CD2-CD2 3.94Å; L355-L369 HydrophobicContact CD2-CG 4.49Å; L355-L374 HydrophobicContact CD2-CD1 3.6Å; L355-L374 HydrophobicContact CD2-CD2 3.97Å; L355-L374 HydrophobicContact CD2-CG 4.46Å |
| 356 | L | 86.5 | Confident | 92 | Very high | 12 Ų | 12 | 9.1 Ų | 9.1 | 6% | 0.063 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.4 | -34.6 | 179.6 | -74.9 | 171 | 0 | 0 | 0 | 112.9 | I78 F295 T352 L353 L374 | I78-L356 HydrophobicContact CD1-CB 4.27Å; F295-L356 HydrophobicContact CZ-CD1 4Å; T352-L356 HydrophobicContact CG2-CD1 4.38Å; T352-L356 WeakPolarHBondContact O-CG 3.25Å; T352-L356 PolarHBondContact O-N 3.31Å; L353-L356 HydrophobicContact CD2-CD1 4.22Å; L353-L356 PolarHBondContact O-N 3.04Å; L356-L374 HydrophobicContact CD2-CD2 3.81Å; L356-L374 HydrophobicContact CG-CD2 3.92Å |
| 357 | T | 87.4 | Confident | 92 | Very high | 15 Ų | 15 | 9.1 Ų | 9.1 | 9% | 0.092 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 1.8 | -178 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | I78 W173 L353 S354 L355 V359 | I78-T357 HydrophobicContact CD1-CG2 3.28Å; I78-T357 HydrophobicContact CG1-CG2 4.19Å; W173-T357 HydrophobicContact CZ2-CG2 4.07Å; W173-T357 PolarHBondContact NE1-OG1 3.05Å; L353-T357 WeakPolarHBondContact O-CB 3.12Å; L353-T357 WeakPolarHBondContact O-CG2 3.46Å; L353-T357 PolarHBondContact O-N 3.06Å; L353-T357 PolarHBondContact O-OG1 3.14Å; S354-T357 PolarHBondContact O-N 3.48Å; S354-T357 PolarHBondContact O-OG1 3.15Å; L355-T357 PolarHBondContact O-N 3.41Å; T357-V359 VanDerWaalsContact C-N 3.33Å; T357-V359 PolarHBondContact O-N 2.85Å; T357-V359 WeakPolarHBondContact OG1-CG2 3.4Å |
| 358 | N | 84.6 | Confident | 92 | Very high | 64 Ų | 64 | 9.6 Ų | 9.6 | 34% | 0.342 | 5% | 0.052 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 43.5 | -177.7 | -158.1 | 25.8 | 0 | 0 | 0 | 114 | A73 S354 L355 | A73-N358 HydrophobicContact CB-CB 3.57Å; S354-N358 PolarHBondContact O-N 3.15Å; L355-N358 PolarHBondContact O-N 3.04Å |
| 359 | V | 88.1 | Confident | 91.8 | Very high | 9 Ų | 9 | 8.9 Ų | 8.9 | 6% | 0.055 | 5% | 0.048 | C | C | . | . | trans | -117.4 | 157.8 | 172.6 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | L169 Q172 A176 S354 T357 | L169-V359 HydrophobicContact CD1-CG2 3.94Å; Q172-V359 HydrophobicContact CB-CB 4.21Å; Q172-V359 HydrophobicContact CB-CG2 4.03Å; A176-V359 HydrophobicContact CB-CG1 3.64Å; S354-V359 CarbonylContact C-O 3.37Å; S354-V359 WeakPolarHBondContact CB-O 3.43Å; S354-V359 PolarHBondContact O-N 3.25Å; S354-V359 VanDerWaalsContact O-O 3.12Å; T357-V359 VanDerWaalsContact C-N 3.33Å; T357-V359 PolarHBondContact O-N 2.85Å; T357-V359 WeakPolarHBondContact OG1-CG2 3.4Å | ||
| 360 | P | 89.4 | Confident | 91.6 | Very high | 23 Ų | 23 | 10.6 Ų | 10.6 | 15% | 0.149 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -57 | 145.7 | 175.7 | -25.1 | 36.1 | 0 | 0 | 0 | 112.1 | T58 K63 S354 | T58-P360 HydrophobicContact CG2-CB 3.83Å; K63-P360 HydrophobicContact CD-CG 4.4Å; K63-P360 HydrophobicContact CG-CG 3.82Å; S354-P360 PolarHBondContact OG-O 2.82Å |
| 361 | I | 92.6 | Very high | 91 | Very high | 14 Ų | 14 | 12.5 Ų | 12.5 | 7% | 0.072 | 7% | 0.065 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 129 | 168.5 | -58.6 | 171.7 | 0 | 0 | 0 | 107.5 | T58 P351 S354 N365 L386 N387 Q390 | T58-I361 WeakPolarHBondContact CB-O 3.29Å; T58-I361 PolarHBondContact OG1-O 3.35Å; P351-I361 HydrophobicContact CB-CD1 3.97Å; P351-I361 HydrophobicContact CB-CG1 4.26Å; P351-I361 HydrophobicContact CB-CG2 4.14Å; S354-I361 WeakPolarHBondContact OG-CA 3.4Å; I361-N365 HydrophobicContact CG2-CB 3.74Å; I361-N365 WeakPolarHBondContact CG2-ND2 3.39Å; I361-L386 HydrophobicContact CD1-CB 4.4Å; I361-N387 HydrophobicContact CD1-CB 3.85Å; I361-Q390 HydrophobicContact CB-CB 4.39Å; I361-Q390 HydrophobicContact CB-CG 4.07Å; I361-Q390 HydrophobicContact CG2-CG 3.88Å |
| 362 | P | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 143.1 | 178.1 | -29.8 | 36.7 | 0 | 0 | 0 | 113 | L169 Q172 V350 S354 S364 N365 Q390 | L169-P362 HydrophobicContact CB-CG 4.34Å; Q172-P362 HydrophobicContact CG-CG 4.45Å; V350-P362 HydrophobicContact CG1-CG 3.7Å; S354-P362 WeakPolarHBondContact OG-CD 3.44Å; P362-S364 PolarHBondContact O-N 3.01Å; P362-N365 VanDerWaalsContact O-CB 3.22Å; P362-N365 WeakPolarHBondContact O-CB 3.39Å; P362-N365 PolarHBondContact O-N 2.79Å; P362-N365 VanDerWaalsContact O-N 3.13Å; P362-Q390 PolarHBondContact O-NE2 2.84Å |
| 363 | Y | 93.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 14.1 Ų | 14.1 | 7% | 0.071 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -42.7 | -169.3 | -174.9 | -102.7 | 0 | 0 | 0 | 114.4 | L54 N56 T58 D167 N365 Q390 T393 Y394 N397 | L54-Y363 HydrophobicContact CB-CE1 4.45Å; L54-Y363 HydrophobicContact CD1-CE1 4.23Å; N56-Y363 HydrophobicContact CB-CD1 3.51Å; N56-Y363 HydrophobicContact CB-CD2 4.41Å; N56-Y363 HydrophobicContact CB-CE1 3.42Å; N56-Y363 VanDerWaalsContact CB-CE1 3.42Å; N56-Y363 HydrophobicContact CB-CE2 4.35Å; N56-Y363 HydrophobicContact CB-CG 4.02Å; N56-Y363 WeakPolarHBondContact O-CB 3.31Å; N56-Y363 WeakPolarHBondContact O-CD1 3.38Å; T58-Y363 VanDerWaalsContact OG1-CA 3.25Å; T58-Y363 WeakPolarHBondContact OG1-CA 3.5Å; T58-Y363 PolarHBondContact OG1-N 3.26Å; T58-Y363 VanDerWaalsContact OG1-N 3.09Å; D167-Y363 PolarHBondContact OD2-N 3.21Å; Y363-N365 VanDerWaalsContact C-N 3.33Å; Y363-Q390 PolarHBondContact O-NE2 2.6Å; Y363-T393 HydrophobicContact CE2-CG2 3.91Å; Y363-T393 PolarHBondContact OH-O 2.99Å; Y363-Y394 AromaticContact CD1-CD2 3.86Å; Y363-Y394 HydrophobicContact CD1-CD2 3.86Å; Y363-Y394 AromaticContact CE1-CD2 3.64Å; Y363-Y394 HydrophobicContact CE1-CD2 3.64Å; Y363-Y394 HydrophobicContact CE1-CE2 4.47Å; Y363-Y394 WeakPolarHBondContact O-CB 3.43Å; Y363-N397 WeakPolarHBondContact OH-CB 3.22Å; Y363-N397 PolarHBondContact OH-ND2 3.04Å |
| 364 | S | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.8 | -177.8 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | E166 P362 L366 | E166-S364 PolarHBondContact OE1-OG 2.82Å; P362-S364 PolarHBondContact O-N 3.01Å; S364-L366 PolarHBondContact O-N 3.26Å |
| 365 | N | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -61.1 | 133.3 | 176.8 | 170.7 | 69.7 | 0 | 0 | 0 | 111.4 | T146 G147 V350 P351 I361 P362 Y363 G367 Q390 | T146-N365 WeakPolarHBondContact O-CA 3.25Å; G147-N365 WeakPolarHBondContact CA-OD1 3.18Å; V350-N365 HydrophobicContact CG1-CB 4.47Å; P351-N365 WeakPolarHBondContact CD-OD1 3.42Å; I361-N365 HydrophobicContact CG2-CB 3.74Å; I361-N365 WeakPolarHBondContact CG2-ND2 3.39Å; P362-N365 VanDerWaalsContact O-CB 3.22Å; P362-N365 WeakPolarHBondContact O-CB 3.39Å; P362-N365 PolarHBondContact O-N 2.79Å; P362-N365 VanDerWaalsContact O-N 3.13Å; Y363-N365 VanDerWaalsContact C-N 3.33Å; N365-G367 PolarHBondContact ND2-N 3.12Å; N365-G367 PolarHBondContact ND2-O 2.97Å; N365-G367 WeakPolarHBondContact OD1-CA 3.29Å; N365-G367 PolarHBondContact OD1-N 2.77Å; N365-Q390 PolarHBondContact ND2-OE1 2.89Å; N365-Q390 VanDerWaalsContact ND2-OE1 3.13Å; N365-Q390 PolarHBondContact O-NE2 3.27Å; N365-Q390 PolarHBondContact O-OE1 3.47Å | ||
| 366 | L | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -117.7 | 0.7 | 170.6 | -67.1 | 179.3 | 0 | 0 | 0 | 112.2 | G147 M149 S364 M391 Y394 Q443 F446 W450 | G147-L366 PolarHBondContact O-N 3.27Å; M149-L366 HydrophobicContact CE-CD1 3.68Å; S364-L366 PolarHBondContact O-N 3.26Å; L366-M391 HydrophobicContact CD2-CG 3.91Å; L366-M391 HydrophobicContact CD2-SD 4.23Å; L366-M391 WeakPolarHBondContact O-CE 2.87Å; L366-Y394 HydrophobicContact CD2-CD1 3.98Å; L366-Y394 HydrophobicContact CD2-CE1 3.99Å; L366-Y394 HydrophobicContact CG-CE1 4.43Å; L366-Q443 PolarHBondContact O-NE2 3.12Å; L366-F446 HydrophobicContact CD1-CB 3.8Å; L366-F446 HydrophobicContact CD1-CD1 4.33Å; L366-F446 HydrophobicContact CD1-CD2 4.21Å; L366-F446 HydrophobicContact CD1-CG 3.87Å; L366-F446 HydrophobicContact CD2-CD2 3.65Å; L366-F446 HydrophobicContact CD2-CE2 3.87Å; L366-F446 HydrophobicContact CD2-CG 4.16Å; L366-W450 HydrophobicContact CD1-CH2 3.44Å; L366-W450 VanDerWaalsContact CD1-CH2 3.44Å; L366-W450 HydrophobicContact CD1-CZ3 3.45Å; L366-W450 VanDerWaalsContact CD1-CZ3 3.45Å | ||
| 367 | G | 95.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -65.5 | 153.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G147 I347 D348 N365 N387 M391 | G147-G367 PolarHBondContact O-N 3.41Å; I347-G367 WeakPolarHBondContact O-CA 3.49Å; D348-G367 WeakPolarHBondContact OD1-CA 3.21Å; N365-G367 PolarHBondContact ND2-N 3.12Å; N365-G367 PolarHBondContact ND2-O 2.97Å; N365-G367 WeakPolarHBondContact OD1-CA 3.29Å; N365-G367 PolarHBondContact OD1-N 2.77Å; G367-N387 PolarHBondContact O-ND2 3.08Å; G367-N387 VanDerWaalsContact O-ND2 3.14Å; G367-N387 PolarHBondContact O-OD1 2.95Å; G367-M391 WeakPolarHBondContact O-CE 3.47Å | ||
| 368 | I | 95.3 | Very high | 85.2 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | trans | -109.7 | 134.2 | 178.1 | -56.1 | 179.4 | 0 | 0 | 0 | 108.7 | D348 Y370 N387 M391 V436 L439 K440 | D348-I368 WeakPolarHBondContact CB-O 3.03Å; D348-I368 PolarHBondContact OD1-N 2.88Å; I368-Y370 PolarHBondContact O-N 2.91Å; I368-N387 VanDerWaalsContact CA-OD1 3.31Å; I368-N387 WeakPolarHBondContact CA-OD1 3.39Å; I368-M391 HydrophobicContact CG1-CE 4.47Å; I368-V436 HydrophobicContact CG2-CG2 4.49Å; I368-L439 HydrophobicContact CD1-CB 3.85Å; I368-L439 HydrophobicContact CG1-CB 4.01Å; I368-L439 HydrophobicContact CG2-CD1 4.28Å; I368-K440 HydrophobicContact CD1-CB 4.26Å; I368-K440 HydrophobicContact CD1-CG 3.42Å; I368-K440 VanDerWaalsContact CD1-CG 3.42Å | ||
| 369 | L | 92.2 | Very high | 85.1 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | trans | -52.4 | 128.5 | 176.9 | -175.4 | 75.5 | 0 | 0 | 0 | 111.5 | L355 L374 V380 M384 N387 | L355-L369 HydrophobicContact CB-CD1 4.11Å; L355-L369 HydrophobicContact CD2-CD1 3.77Å; L355-L369 HydrophobicContact CD2-CD2 3.94Å; L355-L369 HydrophobicContact CD2-CG 4.49Å; L369-L374 HydrophobicContact CD1-CD1 4.32Å; L369-L374 HydrophobicContact CD2-CD1 4.01Å; L369-L374 HydrophobicContact CG-CD1 4.29Å; L369-V380 HydrophobicContact CD2-CG1 4.36Å; L369-M384 HydrophobicContact CD2-CG 3.9Å; L369-N387 PolarHBondContact N-OD1 3.15Å | ||
| 370 | Y | 90.1 | Very high | 84.9 | Confident | 38 Ų | 38 | 24.5 Ų | 24.5 | 15% | 0.149 | 14% | 0.143 | C | C | . | . | trans | -101 | 104 | 177 | -169.7 | -120.7 | 0 | 0 | 0 | 110.6 | Y125 L344 T352 I368 H372 L373 | Y125-Y370 HydrophobicContact CE2-CE1 4.18Å; Y125-Y370 PolarHBondContact OH-OH 3Å; Y125-Y370 VanDerWaalsContact OH-OH 3.08Å; L344-Y370 HydrophobicContact CD1-CD1 3.71Å; L344-Y370 HydrophobicContact CD1-CD2 4.04Å; L344-Y370 HydrophobicContact CD1-CE1 4.26Å; L344-Y370 HydrophobicContact CD1-CG 3.59Å; T352-Y370 PolarHBondContact OG1-N 3.05Å; I368-Y370 PolarHBondContact O-N 2.91Å; Y370-H372 VanDerWaalsContact C-N 3.32Å; Y370-H372 HydrophobicContact CD1-CB 4.22Å; Y370-H372 HydrophobicContact CE1-CB 3.68Å; Y370-H372 HydrophobicContact CE2-CB 4.44Å; Y370-H372 AromaticContact CE2-CD2 3.54Å; Y370-H372 AromaticContact CZ-CD2 3.63Å; Y370-H372 AromaticContact CZ-CG 3.95Å; Y370-H372 PolarHBondContact O-N 2.59Å; Y370-L373 HydrophobicContact CD1-CB 4.46Å; Y370-L373 HydrophobicContact CD1-CD1 3.76Å; Y370-L373 HydrophobicContact CD1-CG 3.67Å; Y370-L373 HydrophobicContact CE1-CD1 4.36Å; Y370-L373 HydrophobicContact CE1-CG 4.06Å; Y370-L373 PolarHBondContact O-N 2.68Å | ||
| 371 | D | 82.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 25.5 Ų | 25.5 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -64.5 | -30.3 | -171.6 | 65.3 | -35.7 | 0 | 0 | 0 | 113.9 | K333 L373 L374 V380 M384 | K333-D371 IonicContact NZ-OD2 3.11Å; K333-D371 PolarHBondContact NZ-OD2 3Å; K333-D371 VanDerWaalsContact NZ-OD2 3.11Å; D371-L373 PolarHBondContact O-N 2.71Å; D371-L373 VanDerWaalsContact O-N 3.12Å; D371-L374 WeakPolarHBondContact O-CB 3.3Å; D371-L374 PolarHBondContact O-N 3Å; D371-L374 VanDerWaalsContact O-N 3.08Å; D371-V380 HydrophobicContact CB-CG1 3.62Å; D371-V380 HydrophobicContact CB-CG2 4.45Å; D371-M384 HydrophobicContact CB-CE 4.45Å |
| 372 | H | 80.4 | Confident | 84.4 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -65.7 | -12 | -178.5 | -62.7 | -96.8 | 0 | 0 | 0 | 115 | I331 D335 Y370 | I331-H372 VanDerWaalsContact O-O 3.08Å; D335-H372 IonicContact OD2-CE1 3.56Å; Y370-H372 VanDerWaalsContact C-N 3.32Å; Y370-H372 HydrophobicContact CD1-CB 4.22Å; Y370-H372 HydrophobicContact CE1-CB 3.68Å; Y370-H372 HydrophobicContact CE2-CB 4.44Å; Y370-H372 AromaticContact CE2-CD2 3.54Å; Y370-H372 AromaticContact CZ-CD2 3.63Å; Y370-H372 AromaticContact CZ-CG 3.95Å; Y370-H372 PolarHBondContact O-N 2.59Å |
| 373 | L | 81.2 | Confident | 84 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -100.4 | 3 | 176.1 | -66.2 | 176.4 | 0 | 0 | 0 | 113.4 | Y125 F295 F320 V322 L330 L344 T352 Y370 D371 | Y125-L373 HydrophobicContact CG-CD2 4.41Å; F295-L373 HydrophobicContact CE1-CD1 4.36Å; F320-L373 HydrophobicContact CE1-CD1 3.71Å; F320-L373 HydrophobicContact CE1-CD2 3.99Å; F320-L373 HydrophobicContact CE1-CG 4.46Å; F320-L373 HydrophobicContact CZ-CD1 3.58Å; V322-L373 HydrophobicContact CG2-CD2 3.89Å; L330-L373 WeakPolarHBondContact CD2-O 3.47Å; L344-L373 HydrophobicContact CD2-CD1 4.18Å; T352-L373 HydrophobicContact CG2-CB 3.97Å; T352-L373 HydrophobicContact CG2-CD1 4.31Å; Y370-L373 HydrophobicContact CD1-CB 4.46Å; Y370-L373 HydrophobicContact CD1-CD1 3.76Å; Y370-L373 HydrophobicContact CD1-CG 3.67Å; Y370-L373 HydrophobicContact CE1-CD1 4.36Å; Y370-L373 HydrophobicContact CE1-CG 4.06Å; Y370-L373 PolarHBondContact O-N 2.68Å; D371-L373 PolarHBondContact O-N 2.71Å; D371-L373 VanDerWaalsContact O-N 3.12Å |
| 374 | L | 78 | Confident | 83.9 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -95.7 | 148.3 | 178.5 | -55.1 | 178.1 | 0 | 0 | 0 | 109.8 | I331 T352 L355 L356 L369 D371 A378 V380 | I331-L374 WeakPolarHBondContact CB-O 3.29Å; I331-L374 WeakPolarHBondContact CD1-O 3.36Å; I331-L374 WeakPolarHBondContact CG1-O 2.92Å; I331-L374 PolarHBondContact N-O 2.82Å; T352-L374 HydrophobicContact CG2-CD2 4.29Å; L355-L374 HydrophobicContact CD2-CD1 3.6Å; L355-L374 HydrophobicContact CD2-CD2 3.97Å; L355-L374 HydrophobicContact CD2-CG 4.46Å; L356-L374 HydrophobicContact CD2-CD2 3.81Å; L356-L374 HydrophobicContact CG-CD2 3.92Å; L369-L374 HydrophobicContact CD1-CD1 4.32Å; L369-L374 HydrophobicContact CD2-CD1 4.01Å; L369-L374 HydrophobicContact CG-CD1 4.29Å; D371-L374 WeakPolarHBondContact O-CB 3.3Å; D371-L374 PolarHBondContact O-N 3Å; D371-L374 VanDerWaalsContact O-N 3.08Å; L374-A378 HydrophobicContact CB-CB 3.76Å; L374-A378 HydrophobicContact CD1-CB 4.49Å; L374-V380 HydrophobicContact CB-CG2 4.33Å; L374-V380 HydrophobicContact CD1-CB 4.34Å; L374-V380 HydrophobicContact CD1-CG1 4.39Å; L374-V380 HydrophobicContact CD1-CG2 3.71Å |
| 375 | G | 67.8 | Low | 83.8 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | trans | -83.7 | 168 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S329 G377 A378 | S329-G375 WeakPolarHBondContact O-CA 3.49Å; G375-G377 PolarHBondContact O-N 3.3Å; G375-A378 WeakPolarHBondContact O-CB 3.27Å; G375-A378 PolarHBondContact O-N 3.18Å | ||
| 376 | H | 64.3 | Low | 83.5 | Confident | 150 Ų | 150 | 27.2 Ų | 27.2 | 69% | 0.694 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -6.9 | -175 | -88.3 | -53.2 | 0 | 0 | 0 | 116.8 | D328 | D328-H376 PolarHBondContact O-CD2 2.78Å; D328-H376 VanDerWaalsContact O-CD2 3.29Å |
| 377 | G | 64.5 | Low | 83.3 | Confident | 60 Ų | 60 | 27.2 Ų | 27.2 | 62% | 0.619 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -6.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G375 N379 | G375-G377 PolarHBondContact O-N 3.3Å; G377-N379 PolarHBondContact O-N 3.29Å |
| 378 | A | 73.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | trans | -69.5 | 130.5 | -175 | 0 | 0 | 0 | 0 | 0 | 110.8 | L374 G375 V380 | L374-A378 HydrophobicContact CB-CB 3.76Å; L374-A378 HydrophobicContact CD1-CB 4.49Å; G375-A378 WeakPolarHBondContact O-CB 3.27Å; G375-A378 PolarHBondContact O-N 3.18Å; A378-V380 PolarHBondContact O-N 3.09Å | ||
| 379 | N | 80.9 | Confident | 82.9 | Confident | 60 Ų | 60 | 26.7 Ų | 26.7 | 32% | 0.321 | 15% | 0.153 | S | C | . | . | trans | -76.3 | 79.4 | 172.1 | -168.5 | -16.1 | 0 | 0 | 0 | 110.2 | V72 G377 H381 Q382 G383 | V72-N379 HydrophobicContact CG2-CB 3.99Å; G377-N379 PolarHBondContact O-N 3.29Å; N379-H381 VanDerWaalsContact C-N 3.27Å; N379-H381 PolarHBondContact O-N 2.78Å; N379-Q382 HydrophobicContact CB-CB 4.05Å; N379-Q382 VanDerWaalsContact CG-CB 3.46Å; N379-Q382 PolarHBondContact O-N 2.78Å; N379-Q382 PolarHBondContact OD1-N 2.72Å; N379-G383 PolarHBondContact O-N 3.06Å | ||
| 380 | V | 83.9 | Confident | 82.9 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.6 | -45.1 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | L369 D371 L374 A378 Q382 G383 M384 | L369-V380 HydrophobicContact CD2-CG1 4.36Å; D371-V380 HydrophobicContact CB-CG1 3.62Å; D371-V380 HydrophobicContact CB-CG2 4.45Å; L374-V380 HydrophobicContact CB-CG2 4.33Å; L374-V380 HydrophobicContact CD1-CB 4.34Å; L374-V380 HydrophobicContact CD1-CG1 4.39Å; L374-V380 HydrophobicContact CD1-CG2 3.71Å; A378-V380 PolarHBondContact O-N 3.09Å; V380-Q382 PolarHBondContact O-N 3.3Å; V380-G383 WeakPolarHBondContact O-CA 3.35Å; V380-G383 PolarHBondContact O-N 3.18Å; V380-G383 VanDerWaalsContact O-N 3.07Å; V380-M384 HydrophobicContact CG1-CE 3.83Å; V380-M384 WeakPolarHBondContact O-CG 3.48Å; V380-M384 PolarHBondContact O-N 2.8Å |
| 381 | H | 87.9 | Confident | 83.1 | Confident | 44 Ų | 44 | 24.7 Ų | 24.7 | 20% | 0.204 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.6 | -49.5 | 178.9 | -179.1 | 62.8 | 0 | 0 | 0 | 111.5 | N379 G383 M384 V385 E428 L430 D432 | N379-H381 VanDerWaalsContact C-N 3.27Å; N379-H381 PolarHBondContact O-N 2.78Å; H381-G383 VanDerWaalsContact C-N 3.28Å; H381-G383 PolarHBondContact O-N 3.42Å; H381-M384 WeakPolarHBondContact O-CB 3.24Å; H381-M384 PolarHBondContact O-N 3.44Å; H381-M384 VanDerWaalsContact O-N 3.08Å; H381-V385 WeakPolarHBondContact O-CG2 3.43Å; H381-V385 PolarHBondContact O-N 2.92Å; H381-E428 PolarHBondContact NE2-O 3.09Å; H381-L430 PolarHBondContact CE1-O 3.36Å; H381-D432 IonicContact CE1-OD1 3.6Å; H381-D432 IonicContact CG-OD1 2.75Å; H381-D432 IonicContact ND1-OD1 3.05Å; H381-D432 PolarHBondContact ND1-OD1 3.5Å |
| 382 | Q | 84.9 | Confident | 83.6 | Confident | 36 Ų | 36 | 22.9 Ų | 22.9 | 17% | 0.168 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.5 | -164.9 | 67.1 | 9.2 | 0 | 0 | 112.2 | N379 V380 M384 V385 L386 E428 | N379-Q382 HydrophobicContact CB-CB 4.05Å; N379-Q382 VanDerWaalsContact CG-CB 3.46Å; N379-Q382 PolarHBondContact O-N 2.78Å; N379-Q382 PolarHBondContact OD1-N 2.72Å; V380-Q382 PolarHBondContact O-N 3.3Å; Q382-M384 VanDerWaalsContact C-N 3.33Å; Q382-M384 PolarHBondContact O-N 3.49Å; Q382-V385 PolarHBondContact O-N 3.29Å; Q382-L386 WeakPolarHBondContact O-CG 3.3Å; Q382-L386 PolarHBondContact O-N 2.71Å; Q382-E428 PolarHBondContact NE2-OE1 2.96Å |
| 383 | G | 86.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N379 V380 H381 L386 N387 | N379-G383 PolarHBondContact O-N 3.06Å; V380-G383 WeakPolarHBondContact O-CA 3.35Å; V380-G383 PolarHBondContact O-N 3.18Å; V380-G383 VanDerWaalsContact O-N 3.07Å; H381-G383 VanDerWaalsContact C-N 3.28Å; H381-G383 PolarHBondContact O-N 3.42Å; G383-L386 PolarHBondContact O-N 3.27Å; G383-N387 WeakPolarHBondContact O-CB 3.36Å; G383-N387 PolarHBondContact O-N 3.49Å |
| 384 | M | 89.9 | Confident | 84.6 | Confident | 8 Ų | 8 | 22.7 Ų | 22.7 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.5 | -67.4 | -170.8 | 178 | 0 | 0 | 112.1 | L369 D371 V380 H381 Q382 N387 F388 D432 L435 V436 | L369-M384 HydrophobicContact CD2-CG 3.9Å; D371-M384 HydrophobicContact CB-CE 4.45Å; V380-M384 HydrophobicContact CG1-CE 3.83Å; V380-M384 WeakPolarHBondContact O-CG 3.48Å; V380-M384 PolarHBondContact O-N 2.8Å; H381-M384 WeakPolarHBondContact O-CB 3.24Å; H381-M384 PolarHBondContact O-N 3.44Å; H381-M384 VanDerWaalsContact O-N 3.08Å; Q382-M384 VanDerWaalsContact C-N 3.33Å; Q382-M384 PolarHBondContact O-N 3.49Å; M384-N387 PolarHBondContact O-N 2.99Å; M384-F388 WeakPolarHBondContact O-CB 3.04Å; M384-F388 PolarHBondContact O-N 3.47Å; M384-D432 HydrophobicContact CE-CB 4.28Å; M384-D432 HydrophobicContact SD-CB 3.6Å; M384-L435 HydrophobicContact CB-CB 4.36Å; M384-L435 HydrophobicContact CB-CD1 3.82Å; M384-V436 HydrophobicContact CE-CG2 3.75Å; M384-V436 HydrophobicContact SD-CG2 3.8Å |
| 385 | V | 90.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | H381 Q382 F388 I389 I427 E428 L435 | H381-V385 WeakPolarHBondContact O-CG2 3.43Å; H381-V385 PolarHBondContact O-N 2.92Å; Q382-V385 PolarHBondContact O-N 3.29Å; V385-F388 WeakPolarHBondContact O-CB 3.46Å; V385-F388 PolarHBondContact O-N 3Å; V385-I389 HydrophobicContact CG1-CD1 3.92Å; V385-I389 VanDerWaalsContact O-CG1 3.31Å; V385-I389 WeakPolarHBondContact O-CG1 3.06Å; V385-I389 PolarHBondContact O-N 2.98Å; V385-I427 HydrophobicContact CB-CG2 4.35Å; V385-I427 HydrophobicContact CG1-CB 4.16Å; V385-I427 HydrophobicContact CG1-CG2 3.93Å; V385-I427 HydrophobicContact CG2-CG2 4.14Å; V385-E428 HydrophobicContact CG1-CG 4.2Å; V385-E428 HydrophobicContact CG2-CG 4.24Å; V385-L435 HydrophobicContact CG2-CD1 4.12Å |
| 386 | L | 87.8 | Confident | 86.4 | Confident | 21 Ų | 21 | 22 Ų | 22 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.7 | -69.6 | 172.3 | 0 | 0 | 0 | 112.1 | L66 I361 Q382 G383 F388 I389 Q390 | L66-L386 HydrophobicContact CD2-CD1 3.8Å; L66-L386 HydrophobicContact CD2-CD2 4.28Å; I361-L386 HydrophobicContact CD1-CB 4.4Å; Q382-L386 WeakPolarHBondContact O-CG 3.3Å; Q382-L386 PolarHBondContact O-N 2.71Å; G383-L386 PolarHBondContact O-N 3.27Å; L386-F388 VanDerWaalsContact C-N 3.27Å; L386-F388 PolarHBondContact O-N 3.35Å; L386-I389 PolarHBondContact O-N 2.84Å; L386-Q390 WeakPolarHBondContact O-CB 3.5Å; L386-Q390 PolarHBondContact O-N 3.23Å |
| 387 | N | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 175 | -168.3 | 179.3 | 0 | 0 | 0 | 111.2 | I361 G367 I368 L369 G383 M384 M391 L439 | I361-N387 HydrophobicContact CD1-CB 3.85Å; G367-N387 PolarHBondContact O-ND2 3.08Å; G367-N387 VanDerWaalsContact O-ND2 3.14Å; G367-N387 PolarHBondContact O-OD1 2.95Å; I368-N387 VanDerWaalsContact CA-OD1 3.31Å; I368-N387 WeakPolarHBondContact CA-OD1 3.39Å; L369-N387 PolarHBondContact N-OD1 3.15Å; G383-N387 WeakPolarHBondContact O-CB 3.36Å; G383-N387 PolarHBondContact O-N 3.49Å; M384-N387 PolarHBondContact O-N 2.99Å; N387-M391 WeakPolarHBondContact O-CB 3.42Å; N387-M391 PolarHBondContact O-N 3.44Å; N387-L439 HydrophobicContact CB-CD1 4.32Å |
| 388 | F | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.1 | -51 | 175.4 | -170.8 | -75.7 | 0 | 0 | 0 | 112.3 | M384 V385 L386 Q390 M391 F392 Y414 I418 W426 I427 L435 I438 L439 | M384-F388 WeakPolarHBondContact O-CB 3.04Å; M384-F388 PolarHBondContact O-N 3.47Å; V385-F388 WeakPolarHBondContact O-CB 3.46Å; V385-F388 PolarHBondContact O-N 3Å; L386-F388 VanDerWaalsContact C-N 3.27Å; L386-F388 PolarHBondContact O-N 3.35Å; F388-Q390 VanDerWaalsContact C-N 3.31Å; F388-Q390 PolarHBondContact O-N 3.26Å; F388-M391 PolarHBondContact O-N 3.09Å; F388-F392 AromaticContact CD1-CD2 3.63Å; F388-F392 HydrophobicContact CD1-CD2 3.63Å; F388-F392 HydrophobicContact CD1-CE2 4.03Å; F388-F392 HydrophobicContact CD1-CG 4.49Å; F388-F392 HydrophobicContact CD2-CD2 4.27Å; F388-F392 AromaticContact CD2-CE2 3.98Å; F388-F392 HydrophobicContact CD2-CE2 3.98Å; F388-F392 AromaticContact CE1-CD2 3.42Å; F388-F392 HydrophobicContact CE1-CD2 3.42Å; F388-F392 VanDerWaalsContact CE1-CD2 3.42Å; F388-F392 AromaticContact CE1-CE2 3.52Å; F388-F392 HydrophobicContact CE1-CE2 3.52Å; F388-F392 HydrophobicContact CE1-CG 4.15Å; F388-F392 HydrophobicContact CE1-CZ 4.31Å; F388-F392 HydrophobicContact CE2-CD2 4.11Å; F388-F392 AromaticContact CE2-CE2 3.49Å; F388-F392 HydrophobicContact CE2-CE2 3.49Å; F388-F392 VanDerWaalsContact CE2-CE2 3.49Å; F388-F392 HydrophobicContact CE2-CZ 4.3Å; F388-F392 HydrophobicContact CG-CD2 4.06Å; F388-F392 HydrophobicContact CG-CE2 4.24Å; F388-F392 AromaticContact CZ-CD2 3.69Å; F388-F392 HydrophobicContact CZ-CD2 3.69Å; F388-F392 AromaticContact CZ-CE2 3.23Å; F388-F392 HydrophobicContact CZ-CE2 3.23Å; F388-F392 AromaticContact CZ-CZ 3.84Å; F388-F392 HydrophobicContact CZ-CZ 3.84Å; F388-F392 WeakPolarHBondContact O-CD2 3.42Å; F388-F392 PolarHBondContact O-N 2.87Å; F388-Y414 HydrophobicContact CZ-CD2 4.22Å; F388-Y414 HydrophobicContact CZ-CG 4.23Å; F388-I418 HydrophobicContact CD1-CD1 3.9Å; F388-I418 HydrophobicContact CE1-CD1 3.72Å; F388-W426 AromaticContact CE1-CH2 3.91Å; F388-W426 HydrophobicContact CE1-CH2 3.91Å; F388-W426 HydrophobicContact CE1-CZ3 4.5Å; F388-W426 HydrophobicContact CZ-CH2 4.29Å; F388-I427 HydrophobicContact CB-CG2 4.32Å; F388-I427 HydrophobicContact CD1-CD1 3.91Å; F388-I427 HydrophobicContact CD1-CG2 3.95Å; F388-I427 HydrophobicContact CE1-CD1 4.17Å; F388-I427 HydrophobicContact CE1-CG2 4.41Å; F388-I427 HydrophobicContact CG-CG2 4.09Å; F388-L435 HydrophobicContact CB-CD2 4.22Å; F388-L435 HydrophobicContact CD2-CD2 3.58Å; F388-L435 HydrophobicContact CE2-CD2 4.14Å; F388-L435 HydrophobicContact CG-CD2 4.07Å; F388-I438 HydrophobicContact CD2-CG2 4.4Å; F388-I438 HydrophobicContact CE2-CB 3.99Å; F388-I438 HydrophobicContact CE2-CD1 3.95Å; F388-I438 HydrophobicContact CE2-CG2 3.54Å; F388-I438 HydrophobicContact CZ-CG2 4.17Å; F388-L439 HydrophobicContact CB-CD2 4.26Å; F388-L439 HydrophobicContact CD2-CD2 4.2Å; F388-L439 HydrophobicContact CD2-CG 4.45Å; F388-L439 HydrophobicContact CG-CD2 4.48Å |
| 389 | I | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 179.2 | -64 | 162.5 | 0 | 0 | 0 | 110.2 | L62 V385 L386 T393 Y424 I427 | L62-I389 HydrophobicContact CD1-CG2 3.82Å; L62-I389 HydrophobicContact CD2-CB 4.34Å; L62-I389 HydrophobicContact CD2-CG2 3.88Å; L62-I389 HydrophobicContact CG-CG2 3.88Å; V385-I389 HydrophobicContact CG1-CD1 3.92Å; V385-I389 VanDerWaalsContact O-CG1 3.31Å; V385-I389 WeakPolarHBondContact O-CG1 3.06Å; V385-I389 PolarHBondContact O-N 2.98Å; L386-I389 PolarHBondContact O-N 2.84Å; I389-T393 VanDerWaalsContact O-CB 3.3Å; I389-T393 WeakPolarHBondContact O-CB 3.15Å; I389-T393 PolarHBondContact O-N 2.7Å; I389-T393 PolarHBondContact O-OG1 3.05Å; I389-Y424 HydrophobicContact CD1-CD1 4.02Å; I389-Y424 HydrophobicContact CD1-CD2 3.7Å; I389-Y424 HydrophobicContact CD1-CE2 4.25Å; I389-Y424 HydrophobicContact CD1-CG 3.57Å; I389-Y424 HydrophobicContact CG1-CD1 4.06Å; I389-Y424 HydrophobicContact CG1-CE1 4.44Å; I389-Y424 HydrophobicContact CG1-CG 4.13Å; I389-Y424 HydrophobicContact CG2-CE1 4.18Å; I389-Y424 HydrophobicContact CG2-CE2 4.46Å; I389-I427 HydrophobicContact CD1-CD1 4.28Å; I389-I427 HydrophobicContact CG1-CD1 3.61Å |
| 390 | Q | 92.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.9 | -52.9 | 178.1 | 174.3 | -87.1 | -49.4 | 0 | 0 | 111.3 | L62 I361 P362 Y363 N365 L386 F388 F392 T393 Y394 | L62-Q390 HydrophobicContact CD2-CB 4.34Å; I361-Q390 HydrophobicContact CB-CB 4.39Å; I361-Q390 HydrophobicContact CB-CG 4.07Å; I361-Q390 HydrophobicContact CG2-CG 3.88Å; P362-Q390 PolarHBondContact O-NE2 2.84Å; Y363-Q390 PolarHBondContact O-NE2 2.6Å; N365-Q390 PolarHBondContact ND2-OE1 2.89Å; N365-Q390 VanDerWaalsContact ND2-OE1 3.13Å; N365-Q390 PolarHBondContact O-NE2 3.27Å; N365-Q390 PolarHBondContact O-OE1 3.47Å; L386-Q390 WeakPolarHBondContact O-CB 3.5Å; L386-Q390 PolarHBondContact O-N 3.23Å; F388-Q390 VanDerWaalsContact C-N 3.31Å; F388-Q390 PolarHBondContact O-N 3.26Å; Q390-F392 PolarHBondContact O-N 3.4Å; Q390-T393 PolarHBondContact O-N 3.4Å; Q390-Y394 PolarHBondContact O-N 3.07Å |
| 391 | M | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | -174.1 | -158.5 | 179.1 | -64.7 | 0 | 0 | 112.3 | L366 G367 I368 N387 F388 T395 L439 L442 | L366-M391 HydrophobicContact CD2-CG 3.91Å; L366-M391 HydrophobicContact CD2-SD 4.23Å; L366-M391 WeakPolarHBondContact O-CE 2.87Å; G367-M391 WeakPolarHBondContact O-CE 3.47Å; I368-M391 HydrophobicContact CG1-CE 4.47Å; N387-M391 WeakPolarHBondContact O-CB 3.42Å; N387-M391 PolarHBondContact O-N 3.44Å; F388-M391 PolarHBondContact O-N 3.09Å; M391-T395 WeakPolarHBondContact O-CB 3.48Å; M391-T395 PolarHBondContact O-N 2.98Å; M391-T395 PolarHBondContact O-OG1 3.13Å; M391-L439 HydrophobicContact CB-CD2 4.04Å; M391-L439 HydrophobicContact CE-CB 4.46Å; M391-L439 HydrophobicContact CE-CD2 3.97Å; M391-L439 HydrophobicContact SD-CD2 3.84Å; M391-L442 HydrophobicContact CB-CD2 4.1Å; M391-L442 HydrophobicContact CG-CD2 3.58Å; M391-L442 HydrophobicContact CG-CG 4.29Å; M391-L442 HydrophobicContact SD-CB 4.2Å; M391-L442 HydrophobicContact SD-CD2 3.79Å; M391-L442 HydrophobicContact SD-CG 4.11Å |
| 392 | F | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -74.9 | -31.3 | 175.2 | -88.2 | -88.1 | 0 | 0 | 0 | 113.5 | F388 Q390 Y394 T395 A396 L411 Y414 M415 I418 I438 L442 | F388-F392 AromaticContact CD1-CD2 3.63Å; F388-F392 HydrophobicContact CD1-CD2 3.63Å; F388-F392 HydrophobicContact CD1-CE2 4.03Å; F388-F392 HydrophobicContact CD1-CG 4.49Å; F388-F392 HydrophobicContact CD2-CD2 4.27Å; F388-F392 AromaticContact CD2-CE2 3.98Å; F388-F392 HydrophobicContact CD2-CE2 3.98Å; F388-F392 AromaticContact CE1-CD2 3.42Å; F388-F392 HydrophobicContact CE1-CD2 3.42Å; F388-F392 VanDerWaalsContact CE1-CD2 3.42Å; F388-F392 AromaticContact CE1-CE2 3.52Å; F388-F392 HydrophobicContact CE1-CE2 3.52Å; F388-F392 HydrophobicContact CE1-CG 4.15Å; F388-F392 HydrophobicContact CE1-CZ 4.31Å; F388-F392 HydrophobicContact CE2-CD2 4.11Å; F388-F392 AromaticContact CE2-CE2 3.49Å; F388-F392 HydrophobicContact CE2-CE2 3.49Å; F388-F392 VanDerWaalsContact CE2-CE2 3.49Å; F388-F392 HydrophobicContact CE2-CZ 4.3Å; F388-F392 HydrophobicContact CG-CD2 4.06Å; F388-F392 HydrophobicContact CG-CE2 4.24Å; F388-F392 AromaticContact CZ-CD2 3.69Å; F388-F392 HydrophobicContact CZ-CD2 3.69Å; F388-F392 AromaticContact CZ-CE2 3.23Å; F388-F392 HydrophobicContact CZ-CE2 3.23Å; F388-F392 AromaticContact CZ-CZ 3.84Å; F388-F392 HydrophobicContact CZ-CZ 3.84Å; F388-F392 WeakPolarHBondContact O-CD2 3.42Å; F388-F392 PolarHBondContact O-N 2.87Å; Q390-F392 PolarHBondContact O-N 3.4Å; F392-Y394 VanDerWaalsContact C-N 3.34Å; F392-T395 PolarHBondContact O-N 2.94Å; F392-A396 WeakPolarHBondContact O-CB 3.4Å; F392-A396 PolarHBondContact O-N 3.14Å; F392-L411 HydrophobicContact CE1-CB 4.48Å; F392-L411 HydrophobicContact CE1-CD2 4.25Å; F392-L411 HydrophobicContact CZ-CD2 3.72Å; F392-Y414 HydrophobicContact CZ-CD2 4.24Å; F392-M415 HydrophobicContact CD1-CB 4.01Å; F392-M415 HydrophobicContact CE1-CB 4.45Å; F392-I418 HydrophobicContact CB-CD1 3.28Å; F392-I418 HydrophobicContact CD1-CD1 4.48Å; F392-I418 HydrophobicContact CD2-CD1 4.27Å; F392-I418 HydrophobicContact CG-CD1 3.8Å; F392-I438 HydrophobicContact CE2-CG2 3.72Å; F392-I438 HydrophobicContact CZ-CG2 3.74Å; F392-L442 HydrophobicContact CD2-CD2 4.01Å; F392-L442 HydrophobicContact CE2-CD2 3.97Å; F392-L442 HydrophobicContact CG-CD2 4.33Å; F392-L442 HydrophobicContact CZ-CD2 4.26Å |
| 393 | T | 90 | Very high | 90.4 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 20% | 0.202 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 172.7 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | Y363 I389 Q390 N397 | Y363-T393 HydrophobicContact CE2-CG2 3.91Å; Y363-T393 PolarHBondContact OH-O 2.99Å; I389-T393 VanDerWaalsContact O-CB 3.3Å; I389-T393 WeakPolarHBondContact O-CB 3.15Å; I389-T393 PolarHBondContact O-N 2.7Å; I389-T393 PolarHBondContact O-OG1 3.05Å; Q390-T393 PolarHBondContact O-N 3.4Å; T393-N397 PolarHBondContact O-N 3.4Å |
| 394 | Y | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 171.3 | 176 | -111 | 0 | 0 | 0 | 111.4 | L54 Y363 L366 Q390 F392 A396 N397 Y398 F446 W450 | L54-Y394 HydrophobicContact CB-CE2 4.26Å; L54-Y394 HydrophobicContact CD1-CD2 4.02Å; L54-Y394 HydrophobicContact CD1-CE2 3.68Å; L54-Y394 HydrophobicContact CG-CE2 4.23Å; Y363-Y394 AromaticContact CD1-CD2 3.86Å; Y363-Y394 HydrophobicContact CD1-CD2 3.86Å; Y363-Y394 AromaticContact CE1-CD2 3.64Å; Y363-Y394 HydrophobicContact CE1-CD2 3.64Å; Y363-Y394 HydrophobicContact CE1-CE2 4.47Å; Y363-Y394 WeakPolarHBondContact O-CB 3.43Å; L366-Y394 HydrophobicContact CD2-CD1 3.98Å; L366-Y394 HydrophobicContact CD2-CE1 3.99Å; L366-Y394 HydrophobicContact CG-CE1 4.43Å; Q390-Y394 PolarHBondContact O-N 3.07Å; F392-Y394 VanDerWaalsContact C-N 3.34Å; Y394-A396 PolarHBondContact O-N 3.05Å; Y394-N397 PolarHBondContact O-N 2.75Å; Y394-Y398 WeakPolarHBondContact O-CB 3.01Å; Y394-Y398 PolarHBondContact O-N 2.62Å; Y394-F446 HydrophobicContact CD1-CE1 4.26Å; Y394-F446 HydrophobicContact CD1-CE2 4.15Å; Y394-F446 AromaticContact CD1-CZ 3.67Å; Y394-F446 HydrophobicContact CD1-CZ 3.67Å; Y394-F446 HydrophobicContact CE1-CD1 4.33Å; Y394-F446 AromaticContact CE1-CE1 3.55Å; Y394-F446 HydrophobicContact CE1-CE1 3.55Å; Y394-F446 HydrophobicContact CE1-CE2 4.15Å; Y394-F446 AromaticContact CE1-CZ 3.44Å; Y394-F446 HydrophobicContact CE1-CZ 3.44Å; Y394-F446 VanDerWaalsContact CE1-CZ 3.44Å; Y394-W450 WeakPolarHBondContact OH-CZ2 3.31Å |
| 395 | T | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | M391 F392 Y398 Y399 L405 L407 M415 L442 F446 | M391-T395 WeakPolarHBondContact O-CB 3.48Å; M391-T395 PolarHBondContact O-N 2.98Å; M391-T395 PolarHBondContact O-OG1 3.13Å; F392-T395 PolarHBondContact O-N 2.94Å; T395-Y398 PolarHBondContact O-N 3.36Å; T395-Y399 WeakPolarHBondContact O-CB 3.26Å; T395-Y399 PolarHBondContact O-N 2.75Å; T395-L405 HydrophobicContact CG2-CD1 3.88Å; T395-L407 HydrophobicContact CG2-CD1 3.98Å; T395-L407 HydrophobicContact CG2-CD2 4.18Å; T395-M415 HydrophobicContact CG2-SD 4.25Å; T395-L442 HydrophobicContact CG2-CD1 3.83Å; T395-L442 WeakPolarHBondContact OG1-CD2 3.46Å; T395-F446 HydrophobicContact CG2-CE2 4.49Å; T395-F446 WeakPolarHBondContact OG1-CE2 3.44Å |
| 396 | A | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -50.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F392 Y394 Y398 Y399 Y400 M415 M419 | F392-A396 WeakPolarHBondContact O-CB 3.4Å; F392-A396 PolarHBondContact O-N 3.14Å; Y394-A396 PolarHBondContact O-N 3.05Å; A396-Y398 VanDerWaalsContact C-N 3.34Å; A396-Y398 PolarHBondContact O-N 3.29Å; A396-Y399 PolarHBondContact O-N 2.8Å; A396-Y400 HydrophobicContact CB-CD2 4.48Å; A396-Y400 HydrophobicContact CB-CE2 4.44Å; A396-Y400 WeakPolarHBondContact O-CD2 3.5Å; A396-Y400 PolarHBondContact O-N 3.12Å; A396-M415 HydrophobicContact CB-CG 3.63Å; A396-M415 HydrophobicContact CB-SD 4.09Å; A396-M419 HydrophobicContact CB-CG 3.73Å; A396-M419 HydrophobicContact CB-SD 3.6Å |
| 397 | N | 90.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 178.7 | -175.2 | 11.1 | 0 | 0 | 0 | 111.3 | L54 N56 Y363 T393 Y394 Y399 Y400 N401 | L54-N397 HydrophobicContact CD1-CB 4.42Å; N56-N397 PolarHBondContact OD1-ND2 2.83Å; Y363-N397 WeakPolarHBondContact OH-CB 3.22Å; Y363-N397 PolarHBondContact OH-ND2 3.04Å; T393-N397 PolarHBondContact O-N 3.4Å; Y394-N397 PolarHBondContact O-N 2.75Å; N397-Y399 PolarHBondContact O-N 2.97Å; N397-Y400 PolarHBondContact O-N 2.92Å; N397-N401 VanDerWaalsContact O-CB 3.31Å; N397-N401 WeakPolarHBondContact O-CB 3.42Å; N397-N401 PolarHBondContact O-N 3.21Å; N397-N401 PolarHBondContact OD1-ND2 3Å |
| 398 | Y | 91.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 177.4 | -164.3 | -82.7 | 0 | 0 | 0 | 111.7 | L54 Y394 T395 A396 Y400 I402 S403 L405 F446 H449 W450 | L54-Y398 HydrophobicContact CD1-CD2 4.14Å; Y394-Y398 WeakPolarHBondContact O-CB 3.01Å; Y394-Y398 PolarHBondContact O-N 2.62Å; T395-Y398 PolarHBondContact O-N 3.36Å; A396-Y398 VanDerWaalsContact C-N 3.34Å; A396-Y398 PolarHBondContact O-N 3.29Å; Y398-Y400 PolarHBondContact O-N 2.7Å; Y398-I402 HydrophobicContact CD1-CB 4.41Å; Y398-I402 HydrophobicContact CD2-CB 4.26Å; Y398-I402 HydrophobicContact CD2-CG1 4.24Å; Y398-I402 HydrophobicContact CD2-CG2 4.45Å; Y398-I402 HydrophobicContact CE1-CB 4.43Å; Y398-I402 HydrophobicContact CE1-CG2 4.25Å; Y398-I402 HydrophobicContact CE2-CB 4.25Å; Y398-I402 HydrophobicContact CE2-CG1 4.47Å; Y398-I402 HydrophobicContact CE2-CG2 3.94Å; Y398-I402 HydrophobicContact CG-CB 4.32Å; Y398-I402 WeakPolarHBondContact O-CA 3.36Å; Y398-I402 WeakPolarHBondContact O-CB 3.25Å; Y398-I402 PolarHBondContact O-N 3.35Å; Y398-S403 WeakPolarHBondContact CE1-OG 3.5Å; Y398-S403 PolarHBondContact O-N 2.94Å; Y398-L405 HydrophobicContact CD1-CD1 3.99Å; Y398-L405 HydrophobicContact CD1-CD2 4.14Å; Y398-L405 HydrophobicContact CD1-CG 4.1Å; Y398-L405 HydrophobicContact CE1-CD2 4.04Å; Y398-L405 HydrophobicContact CE1-CG 4.45Å; Y398-F446 AromaticContact CD1-CE1 3.96Å; Y398-F446 HydrophobicContact CD1-CE1 3.96Å; Y398-F446 HydrophobicContact CD2-CE1 4.28Å; Y398-F446 HydrophobicContact CE1-CE1 4.28Å; Y398-F446 AromaticContact CG-CE1 3.96Å; Y398-F446 HydrophobicContact CG-CE1 3.96Å; Y398-F446 HydrophobicContact CG-CZ 4.44Å; Y398-H449 AromaticContact CE1-CD2 3.72Å; Y398-H449 AromaticContact CE1-NE2 3.63Å; Y398-H449 PolarHBondContact OH-NE2 3.01Å; Y398-W450 HydrophobicContact CE2-CZ2 4.24Å; Y398-W450 AromaticContact CZ-NE1 3.53Å; Y398-W450 PolarHBondContact OH-NE1 3.05Å |
| 399 | Y | 92.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 41 Ų | 41 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | -179.5 | -178.7 | -91.4 | 0 | 0 | 0 | 112.9 | T395 A396 N397 S403 K404 L405 L407 M415 | T395-Y399 WeakPolarHBondContact O-CB 3.26Å; T395-Y399 PolarHBondContact O-N 2.75Å; A396-Y399 PolarHBondContact O-N 2.8Å; N397-Y399 PolarHBondContact O-N 2.97Å; Y399-S403 WeakPolarHBondContact CA-O 3.2Å; Y399-K404 HydrophobicContact CD2-CB 4.45Å; Y399-K404 HydrophobicContact CE2-CB 3.95Å; Y399-K404 HydrophobicContact CE2-CG 4.2Å; Y399-L405 HydrophobicContact CD2-CB 4.1Å; Y399-L405 VanDerWaalsContact CD2-N 3.29Å; Y399-L405 WeakPolarHBondContact CE2-O 3.11Å; Y399-L407 HydrophobicContact CD2-CD1 3.88Å; Y399-L407 HydrophobicContact CD2-CG 4.46Å; Y399-L407 HydrophobicContact CE2-CD1 4.32Å; Y399-L407 HydrophobicContact CG-CD1 4.43Å; Y399-M415 HydrophobicContact CD1-CE 3.88Å; Y399-M415 HydrophobicContact CD1-SD 4.38Å; Y399-M415 HydrophobicContact CE1-CE 4.24Å; Y399-M415 HydrophobicContact CG-CE 4.23Å; Y399-M415 HydrophobicContact CG-SD 4.21Å |
| 400 | Y | 89.4 | Confident | 90.8 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 48% | 0.482 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -83.5 | -35.1 | -176.3 | -69.3 | -62.8 | 0 | 0 | 0 | 113.7 | A396 N397 Y398 M415 D416 | A396-Y400 HydrophobicContact CB-CD2 4.48Å; A396-Y400 HydrophobicContact CB-CE2 4.44Å; A396-Y400 WeakPolarHBondContact O-CD2 3.5Å; A396-Y400 PolarHBondContact O-N 3.12Å; N397-Y400 PolarHBondContact O-N 2.92Å; Y398-Y400 PolarHBondContact O-N 2.7Å; Y400-M415 HydrophobicContact CE2-CE 4.05Å; Y400-D416 PolarHBondContact OH-OD1 3.08Å |
| 401 | N | 87.8 | Confident | 91 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -104.7 | -24.6 | -170.3 | -65 | -33.2 | 0 | 0 | 0 | 114.4 | N397 | N397-N401 VanDerWaalsContact O-CB 3.31Å; N397-N401 WeakPolarHBondContact O-CB 3.42Å; N397-N401 PolarHBondContact O-N 3.21Å; N397-N401 PolarHBondContact OD1-ND2 3Å |
| 402 | I | 86.7 | Confident | 91 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -66.7 | -175 | -55.2 | -57.3 | 0 | 0 | 0 | 111 | T52 L54 Y398 | T52-I402 HydrophobicContact CG2-CD1 4.04Å; T52-I402 HydrophobicContact CG2-CG2 4.17Å; L54-I402 HydrophobicContact CD2-CD1 3.83Å; L54-I402 HydrophobicContact CD2-CG1 3.77Å; Y398-I402 HydrophobicContact CD1-CB 4.41Å; Y398-I402 HydrophobicContact CD2-CB 4.26Å; Y398-I402 HydrophobicContact CD2-CG1 4.24Å; Y398-I402 HydrophobicContact CD2-CG2 4.45Å; Y398-I402 HydrophobicContact CE1-CB 4.43Å; Y398-I402 HydrophobicContact CE1-CG2 4.25Å; Y398-I402 HydrophobicContact CE2-CB 4.25Å; Y398-I402 HydrophobicContact CE2-CG1 4.47Å; Y398-I402 HydrophobicContact CE2-CG2 3.94Å; Y398-I402 HydrophobicContact CG-CB 4.32Å; Y398-I402 WeakPolarHBondContact O-CA 3.36Å; Y398-I402 WeakPolarHBondContact O-CB 3.25Å; Y398-I402 PolarHBondContact O-N 3.35Å |
| 403 | S | 84.7 | Confident | 90.9 | Very high | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | trans | -158.4 | 141.2 | -176.3 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | Y398 Y399 L405 H449 | Y398-S403 WeakPolarHBondContact CE1-OG 3.5Å; Y398-S403 PolarHBondContact O-N 2.94Å; Y399-S403 WeakPolarHBondContact CA-O 3.2Å; S403-L405 PolarHBondContact O-N 3.2Å; S403-H449 PolarHBondContact OG-CE1 2.58Å; S403-H449 VanDerWaalsContact OG-CE1 3.28Å; S403-H449 PolarHBondContact OG-NE2 3.3Å | ||
| 404 | K | 86 | Confident | 91 | Very high | 163 Ų | 163 | 51.8 Ų | 51.8 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | trans | -67.8 | 120.9 | 176.7 | -67.4 | -172.3 | 177.6 | -175.5 | 0 | 110.4 | Y399 | Y399-K404 HydrophobicContact CD2-CB 4.45Å; Y399-K404 HydrophobicContact CE2-CB 3.95Å; Y399-K404 HydrophobicContact CE2-CG 4.2Å | ||
| 405 | L | 88.8 | Confident | 91 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | trans | -85.7 | 147.7 | 173.8 | -62.5 | 166.1 | 0 | 0 | 0 | 110.3 | T395 Y398 Y399 S403 L407 I445 F446 H449 | T395-L405 HydrophobicContact CG2-CD1 3.88Å; Y398-L405 HydrophobicContact CD1-CD1 3.99Å; Y398-L405 HydrophobicContact CD1-CD2 4.14Å; Y398-L405 HydrophobicContact CD1-CG 4.1Å; Y398-L405 HydrophobicContact CE1-CD2 4.04Å; Y398-L405 HydrophobicContact CE1-CG 4.45Å; Y399-L405 HydrophobicContact CD2-CB 4.1Å; Y399-L405 VanDerWaalsContact CD2-N 3.29Å; Y399-L405 WeakPolarHBondContact CE2-O 3.11Å; S403-L405 PolarHBondContact O-N 3.2Å; L405-L407 HydrophobicContact CB-CD1 4.49Å; L405-L407 HydrophobicContact CB-CD2 4.07Å; L405-L407 HydrophobicContact CB-CG 3.9Å; L405-L407 PolarHBondContact O-N 2.74Å; L405-I445 HydrophobicContact CB-CG2 4.18Å; L405-I445 HydrophobicContact CD2-CG2 4.45Å; L405-F446 HydrophobicContact CD1-CE1 3.91Å; L405-F446 HydrophobicContact CD1-CE2 4.17Å; L405-F446 HydrophobicContact CD1-CZ 3.66Å; L405-F446 HydrophobicContact CD2-CD1 4.45Å; L405-F446 HydrophobicContact CD2-CE1 4.36Å; L405-H449 HydrophobicContact CD2-CB 3.69Å; L405-H449 VanDerWaalsContact CD2-CG 3.44Å | ||
| 406 | P | 89.4 | Confident | 90.8 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | trans | -77.3 | 61.1 | 177.7 | 34 | -36.9 | 0 | 0 | 0 | 111.3 | I445 | P406-I445 HydrophobicContact CG-CG2 4.12Š| ||
| 407 | L | 92.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -74.1 | 139.3 | -179.1 | -59.1 | 176.3 | 0 | 0 | 0 | 110.7 | T395 Y399 L405 L411 I412 M415 L442 I445 | T395-L407 HydrophobicContact CG2-CD1 3.98Å; T395-L407 HydrophobicContact CG2-CD2 4.18Å; Y399-L407 HydrophobicContact CD2-CD1 3.88Å; Y399-L407 HydrophobicContact CD2-CG 4.46Å; Y399-L407 HydrophobicContact CE2-CD1 4.32Å; Y399-L407 HydrophobicContact CG-CD1 4.43Å; L405-L407 HydrophobicContact CB-CD1 4.49Å; L405-L407 HydrophobicContact CB-CD2 4.07Å; L405-L407 HydrophobicContact CB-CG 3.9Å; L405-L407 PolarHBondContact O-N 2.74Å; L407-L411 HydrophobicContact CB-CB 4.22Å; L407-L411 HydrophobicContact CD2-CB 4.46Å; L407-L411 HydrophobicContact CD2-CD1 4.23Å; L407-I412 HydrophobicContact CB-CD1 4.23Å; L407-I412 HydrophobicContact CB-CG1 3.61Å; L407-I412 HydrophobicContact CD1-CG1 4.31Å; L407-M415 HydrophobicContact CD1-CE 4.29Å; L407-M415 HydrophobicContact CD1-SD 3.76Å; L407-L442 HydrophobicContact CD2-CD1 4Å; L407-I445 HydrophobicContact CD2-CD1 3.99Å; L407-I445 HydrophobicContact CD2-CG2 4.2Å | ||
| 408 | S | 94 | Very high | 90.4 | Very high | 34 Ų | 34 | 59 Ų | 59 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | trans | -67 | 156.3 | 170.6 | 73.3 | 0 | 0 | 0 | 0 | 110.6 | I410 L411 I412 | S408-I410 PolarHBondContact O-N 3.42Å; S408-I410 VanDerWaalsContact O-N 3.09Å; S408-L411 PolarHBondContact O-N 3.48Å; S408-L411 WeakPolarHBondContact OG-CG 3.15Å; S408-L411 PolarHBondContact OG-N 2.97Å; S408-I412 WeakPolarHBondContact O-CG1 3.47Å; S408-I412 PolarHBondContact O-N 3.03Å | ||
| 409 | P | 94.6 | Very high | 90 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 72% | 0.721 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -55.1 | -30.8 | 178 | -27.1 | 35.3 | 0 | 0 | 0 | 113.7 | S413 | P409-S413 PolarHBondContact O-N 3.08Å |
| 410 | I | 93 | Very high | 89.7 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 56% | 0.559 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.7 | -48.4 | 176.8 | -62.3 | 168.8 | 0 | 0 | 0 | 110.4 | S408 I412 S413 Y414 | S408-I410 PolarHBondContact O-N 3.42Å; S408-I410 VanDerWaalsContact O-N 3.09Å; I410-I412 VanDerWaalsContact C-N 3.32Å; I410-I412 PolarHBondContact O-N 3.31Å; I410-S413 WeakPolarHBondContact O-CB 3.16Å; I410-S413 PolarHBondContact O-N 3.04Å; I410-S413 VanDerWaalsContact O-N 3.11Å; I410-Y414 HydrophobicContact CG2-CD2 4.1Å; I410-Y414 HydrophobicContact CG2-CE2 3.49Å; I410-Y414 VanDerWaalsContact CG2-CE2 3.49Å; I410-Y414 PolarHBondContact O-N 3.39Å |
| 411 | L | 95.3 | Very high | 89 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 177 | -66.3 | 177.5 | 0 | 0 | 0 | 111.9 | F392 L407 S408 S413 Y414 M415 I438 E441 I445 | F392-L411 HydrophobicContact CE1-CB 4.48Å; F392-L411 HydrophobicContact CE1-CD2 4.25Å; F392-L411 HydrophobicContact CZ-CD2 3.72Å; L407-L411 HydrophobicContact CB-CB 4.22Å; L407-L411 HydrophobicContact CD2-CB 4.46Å; L407-L411 HydrophobicContact CD2-CD1 4.23Å; S408-L411 PolarHBondContact O-N 3.48Å; S408-L411 WeakPolarHBondContact OG-CG 3.15Å; S408-L411 PolarHBondContact OG-N 2.97Å; L411-S413 VanDerWaalsContact C-N 3.31Å; L411-S413 PolarHBondContact O-N 3.18Å; L411-Y414 HydrophobicContact CD2-CD2 4.44Å; L411-Y414 PolarHBondContact O-N 2.83Å; L411-M415 WeakPolarHBondContact O-CB 3.42Å; L411-M415 PolarHBondContact O-N 2.81Å; L411-I438 HydrophobicContact CD2-CG2 3.73Å; L411-E441 HydrophobicContact CD1-CG 4.17Å; L411-E441 WeakPolarHBondContact CD1-OE1 3.5Å; L411-I445 HydrophobicContact CD1-CD1 3.37Å |
| 412 | I | 94 | Very high | 88.1 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 173.2 | -64.6 | 171.4 | 0 | 0 | 0 | 109.9 | L407 S408 I410 Y414 M415 D416 | L407-I412 HydrophobicContact CB-CD1 4.23Å; L407-I412 HydrophobicContact CB-CG1 3.61Å; L407-I412 HydrophobicContact CD1-CG1 4.31Å; S408-I412 WeakPolarHBondContact O-CG1 3.47Å; S408-I412 PolarHBondContact O-N 3.03Å; I410-I412 VanDerWaalsContact C-N 3.32Å; I410-I412 PolarHBondContact O-N 3.31Å; I412-Y414 VanDerWaalsContact C-N 3.33Å; I412-Y414 PolarHBondContact O-N 2.86Å; I412-M415 HydrophobicContact CG2-CE 4.49Å; I412-M415 PolarHBondContact O-N 2.66Å; I412-D416 WeakPolarHBondContact O-CB 3.02Å; I412-D416 VanDerWaalsContact O-CG 3.29Å; I412-D416 PolarHBondContact O-N 3.45Å |
| 413 | S | 92 | Very high | 87.5 | Confident | 54 Ų | 54 | 65 Ų | 65 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.1 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | P409 I410 L411 R417 | P409-S413 PolarHBondContact O-N 3.08Å; I410-S413 WeakPolarHBondContact O-CB 3.16Å; I410-S413 PolarHBondContact O-N 3.04Å; I410-S413 VanDerWaalsContact O-N 3.11Å; L411-S413 VanDerWaalsContact C-N 3.31Å; L411-S413 PolarHBondContact O-N 3.18Å; S413-R417 WeakPolarHBondContact O-CB 3.17Å; S413-R417 PolarHBondContact O-N 3.43Å |
| 414 | Y | 92.1 | Very high | 87.2 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 19% | 0.192 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 174.8 | -65.9 | -38.2 | 0 | 0 | 0 | 112.3 | F388 F392 I410 L411 I412 R417 I418 W426 I438 | F388-Y414 HydrophobicContact CZ-CD2 4.22Å; F388-Y414 HydrophobicContact CZ-CG 4.23Å; F392-Y414 HydrophobicContact CZ-CD2 4.24Å; I410-Y414 HydrophobicContact CG2-CD2 4.1Å; I410-Y414 HydrophobicContact CG2-CE2 3.49Å; I410-Y414 VanDerWaalsContact CG2-CE2 3.49Å; I410-Y414 PolarHBondContact O-N 3.39Å; L411-Y414 HydrophobicContact CD2-CD2 4.44Å; L411-Y414 PolarHBondContact O-N 2.83Å; I412-Y414 VanDerWaalsContact C-N 3.33Å; I412-Y414 PolarHBondContact O-N 2.86Å; Y414-R417 PolarHBondContact O-N 2.82Å; Y414-I418 WeakPolarHBondContact O-CG1 3.46Å; Y414-I418 PolarHBondContact O-N 3.38Å; Y414-W426 HydrophobicContact CD1-CE3 4.41Å; Y414-W426 AromaticContact CD1-CH2 3.49Å; Y414-W426 HydrophobicContact CD1-CH2 3.49Å; Y414-W426 VanDerWaalsContact CD1-CH2 3.49Å; Y414-W426 AromaticContact CD1-CZ3 3.34Å; Y414-W426 HydrophobicContact CD1-CZ3 3.34Å; Y414-W426 HydrophobicContact CE1-CE3 4.44Å; Y414-W426 HydrophobicContact CE1-CH2 4.24Å; Y414-W426 AromaticContact CE1-CZ3 3.61Å; Y414-W426 HydrophobicContact CE1-CZ3 3.61Å; Y414-W426 HydrophobicContact CG-CH2 4.07Å; Y414-W426 HydrophobicContact CG-CZ3 4.24Å; Y414-I438 HydrophobicContact CE2-CD1 3.78Å; Y414-I438 HydrophobicContact CE2-CG1 4.5Å |
| 415 | M | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -50.4 | 176.7 | -174.4 | -173.6 | 70.3 | 0 | 0 | 111.5 | F392 T395 A396 Y399 Y400 L407 L411 I412 R417 I418 M419 | F392-M415 HydrophobicContact CD1-CB 4.01Å; F392-M415 HydrophobicContact CE1-CB 4.45Å; T395-M415 HydrophobicContact CG2-SD 4.25Å; A396-M415 HydrophobicContact CB-CG 3.63Å; A396-M415 HydrophobicContact CB-SD 4.09Å; Y399-M415 HydrophobicContact CD1-CE 3.88Å; Y399-M415 HydrophobicContact CD1-SD 4.38Å; Y399-M415 HydrophobicContact CE1-CE 4.24Å; Y399-M415 HydrophobicContact CG-CE 4.23Å; Y399-M415 HydrophobicContact CG-SD 4.21Å; Y400-M415 HydrophobicContact CE2-CE 4.05Å; L407-M415 HydrophobicContact CD1-CE 4.29Å; L407-M415 HydrophobicContact CD1-SD 3.76Å; L411-M415 WeakPolarHBondContact O-CB 3.42Å; L411-M415 PolarHBondContact O-N 2.81Å; I412-M415 HydrophobicContact CG2-CE 4.49Å; I412-M415 PolarHBondContact O-N 2.66Å; M415-R417 VanDerWaalsContact C-N 3.31Å; M415-R417 PolarHBondContact O-N 3.17Å; M415-I418 PolarHBondContact O-N 2.77Å; M415-M419 WeakPolarHBondContact O-CG 3.42Å; M415-M419 PolarHBondContact O-N 3.15Å |
| 416 | D | 89.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 177.7 | -71.6 | -16.9 | 0 | 0 | 0 | 110.9 | Y400 I412 I418 M419 L420 | Y400-D416 PolarHBondContact OH-OD1 3.08Å; I412-D416 WeakPolarHBondContact O-CB 3.02Å; I412-D416 VanDerWaalsContact O-CG 3.29Å; I412-D416 PolarHBondContact O-N 3.45Å; D416-I418 PolarHBondContact O-N 2.94Å; D416-M419 PolarHBondContact O-N 3.38Å; D416-L420 VanDerWaalsContact O-CB 3.31Å; D416-L420 WeakPolarHBondContact O-CB 3.3Å; D416-L420 WeakPolarHBondContact O-CD1 3.35Å; D416-L420 VanDerWaalsContact O-CG 3.25Å; D416-L420 WeakPolarHBondContact O-CG 3.47Å; D416-L420 PolarHBondContact O-N 2.86Å |
| 417 | R | 88.9 | Confident | 86.8 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 177.5 | -170.7 | -178 | -63.9 | -116.8 | 4.9 | 112.1 | S413 Y414 M415 M419 S421 W426 | S413-R417 WeakPolarHBondContact O-CB 3.17Å; S413-R417 PolarHBondContact O-N 3.43Å; Y414-R417 PolarHBondContact O-N 2.82Å; M415-R417 VanDerWaalsContact C-N 3.31Å; M415-R417 PolarHBondContact O-N 3.17Å; R417-M419 VanDerWaalsContact C-N 3.33Å; R417-S421 WeakPolarHBondContact O-CA 3.35Å; R417-S421 WeakPolarHBondContact O-CB 3.05Å; R417-S421 PolarHBondContact O-N 3.2Å; R417-W426 HydrophobicContact CB-CZ2 4.16Å; R417-W426 VanDerWaalsContact CD-CD2 3.46Å; R417-W426 VanDerWaalsContact CD-NE1 3.35Å; R417-W426 HydrophobicContact CG-CD2 4.49Å; R417-W426 HydrophobicContact CG-CZ2 3.89Å |
| 418 | I | 84.7 | Confident | 86.5 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 174.4 | -76.2 | 175.1 | 0 | 0 | 0 | 111.3 | F388 F392 Y414 M415 D416 Y424 W426 I427 | F388-I418 HydrophobicContact CD1-CD1 3.9Å; F388-I418 HydrophobicContact CE1-CD1 3.72Å; F392-I418 HydrophobicContact CB-CD1 3.28Å; F392-I418 HydrophobicContact CD1-CD1 4.48Å; F392-I418 HydrophobicContact CD2-CD1 4.27Å; F392-I418 HydrophobicContact CG-CD1 3.8Å; Y414-I418 WeakPolarHBondContact O-CG1 3.46Å; Y414-I418 PolarHBondContact O-N 3.38Å; M415-I418 PolarHBondContact O-N 2.77Å; D416-I418 PolarHBondContact O-N 2.94Å; I418-Y424 HydrophobicContact CG2-CE1 4.49Å; I418-W426 HydrophobicContact CG1-CZ2 3.95Å; I418-I427 HydrophobicContact CD1-CD1 4.23Å; I418-I427 HydrophobicContact CG1-CD1 4.32Å |
| 419 | M | 83.1 | Confident | 86.3 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 53% | 0.527 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.6 | -34.3 | 178.7 | -70.6 | -65 | -68.5 | 0 | 0 | 113 | A396 M415 D416 R417 | A396-M419 HydrophobicContact CB-CG 3.73Å; A396-M419 HydrophobicContact CB-SD 3.6Å; M415-M419 WeakPolarHBondContact O-CG 3.42Å; M415-M419 PolarHBondContact O-N 3.15Å; D416-M419 PolarHBondContact O-N 3.38Å; R417-M419 VanDerWaalsContact C-N 3.33Å |
| 420 | L | 83.9 | Confident | 86.1 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 80% | 0.796 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -88.8 | -32.9 | -177.5 | -70.6 | 166.4 | 0 | 0 | 0 | 113.4 | D416 | D416-L420 VanDerWaalsContact O-CB 3.31Å; D416-L420 WeakPolarHBondContact O-CB 3.3Å; D416-L420 WeakPolarHBondContact O-CD1 3.35Å; D416-L420 VanDerWaalsContact O-CG 3.25Å; D416-L420 WeakPolarHBondContact O-CG 3.47Å; D416-L420 PolarHBondContact O-N 2.86Å |
| 421 | S | 74.7 | Confident | 86.1 | Confident | 35 Ų | 35 | 64 Ų | 64 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | trans | -81.9 | 140.3 | -173.3 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | R417 T423 | R417-S421 WeakPolarHBondContact O-CA 3.35Å; R417-S421 WeakPolarHBondContact O-CB 3.05Å; R417-S421 PolarHBondContact O-N 3.2Å; S421-T423 WeakPolarHBondContact CB-O 3.5Å; S421-T423 PolarHBondContact OG-N 3.39Å; S421-T423 PolarHBondContact OG-O 2.75Å | ||
| 422 | S | 69.9 | Low | 85.9 | Confident | 114 Ų | 114 | 66.7 Ų | 66.7 | 80% | 0.797 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -87.6 | -16.4 | 167 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||
| 423 | T | 73.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | trans | -122.1 | 155 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | S421 | S421-T423 WeakPolarHBondContact CB-O 3.5Å; S421-T423 PolarHBondContact OG-N 3.39Å; S421-T423 PolarHBondContact OG-O 2.75Å | ||
| 424 | Y | 78.6 | Confident | 86 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | -118.8 | 13.6 | -173 | -56.7 | -64.6 | 0 | 0 | 0 | 113.4 | I389 I418 W426 I427 | I389-Y424 HydrophobicContact CD1-CD1 4.02Å; I389-Y424 HydrophobicContact CD1-CD2 3.7Å; I389-Y424 HydrophobicContact CD1-CE2 4.25Å; I389-Y424 HydrophobicContact CD1-CG 3.57Å; I389-Y424 HydrophobicContact CG1-CD1 4.06Å; I389-Y424 HydrophobicContact CG1-CE1 4.44Å; I389-Y424 HydrophobicContact CG1-CG 4.13Å; I389-Y424 HydrophobicContact CG2-CE1 4.18Å; I389-Y424 HydrophobicContact CG2-CE2 4.46Å; I418-Y424 HydrophobicContact CG2-CE1 4.49Å; Y424-W426 PolarHBondContact O-N 3.29Å; Y424-I427 HydrophobicContact CD1-CD1 3.99Å; Y424-I427 HydrophobicContact CG-CD1 4.41Å; Y424-I427 WeakPolarHBondContact O-CB 3.38Å; Y424-I427 PolarHBondContact O-N 3.31Å | ||
| 425 | D | 81.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 70 Ų | 70 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.4 | -174.3 | -47 | -13 | 0 | 0 | 0 | 113.6 | I427 E428 Q429 | D425-I427 VanDerWaalsContact C-N 3.27Å; D425-I427 PolarHBondContact O-N 3.5Å; D425-E428 PolarHBondContact O-N 3.49Å; D425-Q429 PolarHBondContact O-N 2.74Å |
| 426 | W | 86.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 15% | 0.148 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.6 | 177.9 | 66.9 | -89.9 | 0 | 0 | 0 | 112.9 | F388 Y414 R417 I418 Y424 L430 | F388-W426 AromaticContact CE1-CH2 3.91Å; F388-W426 HydrophobicContact CE1-CH2 3.91Å; F388-W426 HydrophobicContact CE1-CZ3 4.5Å; F388-W426 HydrophobicContact CZ-CH2 4.29Å; Y414-W426 HydrophobicContact CD1-CE3 4.41Å; Y414-W426 AromaticContact CD1-CH2 3.49Å; Y414-W426 HydrophobicContact CD1-CH2 3.49Å; Y414-W426 VanDerWaalsContact CD1-CH2 3.49Å; Y414-W426 AromaticContact CD1-CZ3 3.34Å; Y414-W426 HydrophobicContact CD1-CZ3 3.34Å; Y414-W426 HydrophobicContact CE1-CE3 4.44Å; Y414-W426 HydrophobicContact CE1-CH2 4.24Å; Y414-W426 AromaticContact CE1-CZ3 3.61Å; Y414-W426 HydrophobicContact CE1-CZ3 3.61Å; Y414-W426 HydrophobicContact CG-CH2 4.07Å; Y414-W426 HydrophobicContact CG-CZ3 4.24Å; R417-W426 HydrophobicContact CB-CZ2 4.16Å; R417-W426 VanDerWaalsContact CD-CD2 3.46Å; R417-W426 VanDerWaalsContact CD-NE1 3.35Å; R417-W426 HydrophobicContact CG-CD2 4.49Å; R417-W426 HydrophobicContact CG-CZ2 3.89Å; I418-W426 HydrophobicContact CG1-CZ2 3.95Å; Y424-W426 PolarHBondContact O-N 3.29Å; W426-L430 HydrophobicContact CZ3-CD1 4.37Å |
| 427 | I | 88.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -39.4 | 176.3 | -50 | 179.6 | 0 | 0 | 0 | 109.3 | V385 F388 I389 I418 Y424 D425 Q429 L430 L435 | V385-I427 HydrophobicContact CB-CG2 4.35Å; V385-I427 HydrophobicContact CG1-CB 4.16Å; V385-I427 HydrophobicContact CG1-CG2 3.93Å; V385-I427 HydrophobicContact CG2-CG2 4.14Å; F388-I427 HydrophobicContact CB-CG2 4.32Å; F388-I427 HydrophobicContact CD1-CD1 3.91Å; F388-I427 HydrophobicContact CD1-CG2 3.95Å; F388-I427 HydrophobicContact CE1-CD1 4.17Å; F388-I427 HydrophobicContact CE1-CG2 4.41Å; F388-I427 HydrophobicContact CG-CG2 4.09Å; I389-I427 HydrophobicContact CD1-CD1 4.28Å; I389-I427 HydrophobicContact CG1-CD1 3.61Å; I418-I427 HydrophobicContact CD1-CD1 4.23Å; I418-I427 HydrophobicContact CG1-CD1 4.32Å; Y424-I427 HydrophobicContact CD1-CD1 3.99Å; Y424-I427 HydrophobicContact CG-CD1 4.41Å; Y424-I427 WeakPolarHBondContact O-CB 3.38Å; Y424-I427 PolarHBondContact O-N 3.31Å; D425-I427 VanDerWaalsContact C-N 3.27Å; D425-I427 PolarHBondContact O-N 3.5Å; I427-Q429 PolarHBondContact O-N 3.36Å; I427-Q429 VanDerWaalsContact O-N 3.14Å; I427-L430 WeakPolarHBondContact O-CB 3.42Å; I427-L430 PolarHBondContact O-N 2.71Å; I427-L435 HydrophobicContact CG2-CD2 3.8Å |
| 428 | E | 85.3 | Confident | 86.8 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.5 | 175.6 | -60.6 | -176.8 | 175.6 | 0 | 0 | 112.8 | H381 Q382 V385 D425 | H381-E428 PolarHBondContact NE2-O 3.09Å; Q382-E428 PolarHBondContact NE2-OE1 2.96Å; V385-E428 HydrophobicContact CG1-CG 4.2Å; V385-E428 HydrophobicContact CG2-CG 4.24Å; D425-E428 PolarHBondContact O-N 3.49Å |
| 429 | Q | 89.7 | Confident | 87.4 | Confident | 158 Ų | 158 | 67.6 Ų | 67.6 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16.4 | 173.7 | -66.9 | 172 | 12.2 | 0 | 0 | 113.5 | D425 I427 | D425-Q429 PolarHBondContact O-N 2.74Å; I427-Q429 PolarHBondContact O-N 3.36Å; I427-Q429 VanDerWaalsContact O-N 3.14Å |
| 430 | L | 91.9 | Very high | 88 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -76.2 | 142.3 | 176.6 | -61.9 | 176.6 | 0 | 0 | 0 | 109.3 | H381 W426 I427 Q434 L435 I438 | H381-L430 PolarHBondContact CE1-O 3.36Å; W426-L430 HydrophobicContact CZ3-CD1 4.37Å; I427-L430 WeakPolarHBondContact O-CB 3.42Å; I427-L430 PolarHBondContact O-N 2.71Å; L430-Q434 HydrophobicContact CB-CB 4.49Å; L430-L435 HydrophobicContact CB-CD2 4.05Å; L430-L435 HydrophobicContact CB-CG 4.04Å; L430-L435 HydrophobicContact CD1-CD2 3.95Å; L430-I438 HydrophobicContact CD1-CD1 4.28Å |
| 431 | N | 93.2 | Very high | 88.6 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | trans | -78.6 | 162 | 174.2 | 66.7 | 39.8 | 0 | 0 | 0 | 111.8 | I433 Q434 L435 | N431-I433 PolarHBondContact O-N 2.8Å; N431-I433 PolarHBondContact OD1-N 2.8Å; N431-Q434 VanDerWaalsContact N-OE1 3.14Å; N431-Q434 WeakPolarHBondContact O-CB 3Å; N431-Q434 PolarHBondContact O-N 2.93Å; N431-Q434 VanDerWaalsContact O-N 3.07Å; N431-Q434 WeakPolarHBondContact OD1-CB 3.09Å; N431-Q434 WeakPolarHBondContact OD1-CG 3.44Å; N431-Q434 PolarHBondContact OD1-N 2.96Å; N431-L435 PolarHBondContact O-N 2.02Å | ||
| 432 | D | 90.3 | Very high | 89.5 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.2 | -37 | -177.8 | -66.4 | -13.9 | 0 | 0 | 0 | 112.9 | H381 M384 L435 V436 | H381-D432 IonicContact CE1-OD1 3.6Å; H381-D432 IonicContact CG-OD1 2.75Å; H381-D432 IonicContact ND1-OD1 3.05Å; H381-D432 PolarHBondContact ND1-OD1 3.5Å; M384-D432 HydrophobicContact CE-CB 4.28Å; M384-D432 HydrophobicContact SD-CB 3.6Å; D432-L435 PolarHBondContact O-N 3.2Å; D432-V436 WeakPolarHBondContact O-CB 3.48Å; D432-V436 VanDerWaalsContact O-CG2 3.3Å; D432-V436 WeakPolarHBondContact O-CG2 3.31Å; D432-V436 PolarHBondContact O-N 3.46Å |
| 433 | I | 92.2 | Very high | 90.6 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 67% | 0.667 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 178.1 | -61.5 | 171.9 | 0 | 0 | 0 | 110.7 | N431 T437 | N431-I433 PolarHBondContact O-N 2.8Å; N431-I433 PolarHBondContact OD1-N 2.8Å; I433-T437 WeakPolarHBondContact O-CB 3.19Å; I433-T437 PolarHBondContact O-N 3.44Å; I433-T437 PolarHBondContact O-OG1 3.39Å |
| 434 | Q | 94.8 | Very high | 91.4 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 176.3 | -76.3 | 170.3 | -26.4 | 0 | 0 | 111 | L430 N431 T437 I438 | L430-Q434 HydrophobicContact CB-CB 4.49Å; N431-Q434 VanDerWaalsContact N-OE1 3.14Å; N431-Q434 WeakPolarHBondContact O-CB 3Å; N431-Q434 PolarHBondContact O-N 2.93Å; N431-Q434 VanDerWaalsContact O-N 3.07Å; N431-Q434 WeakPolarHBondContact OD1-CB 3.09Å; N431-Q434 WeakPolarHBondContact OD1-CG 3.44Å; N431-Q434 PolarHBondContact OD1-N 2.96Å; Q434-T437 PolarHBondContact O-N 3.46Å; Q434-I438 VanDerWaalsContact O-CG1 3.3Å; Q434-I438 WeakPolarHBondContact O-CG1 3.22Å; Q434-I438 PolarHBondContact O-N 3Å |
| 435 | L | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.3 | -52.2 | 177.3 | -70.8 | 169.9 | 0 | 0 | 0 | 110.9 | M384 V385 F388 I427 L430 N431 D432 T437 I438 L439 | M384-L435 HydrophobicContact CB-CB 4.36Å; M384-L435 HydrophobicContact CB-CD1 3.82Å; V385-L435 HydrophobicContact CG2-CD1 4.12Å; F388-L435 HydrophobicContact CB-CD2 4.22Å; F388-L435 HydrophobicContact CD2-CD2 3.58Å; F388-L435 HydrophobicContact CE2-CD2 4.14Å; F388-L435 HydrophobicContact CG-CD2 4.07Å; I427-L435 HydrophobicContact CG2-CD2 3.8Å; L430-L435 HydrophobicContact CB-CD2 4.05Å; L430-L435 HydrophobicContact CB-CG 4.04Å; L430-L435 HydrophobicContact CD1-CD2 3.95Å; N431-L435 PolarHBondContact O-N 2.02Å; D432-L435 PolarHBondContact O-N 3.2Å; L435-T437 VanDerWaalsContact C-N 3.3Å; L435-T437 PolarHBondContact O-N 2.9Å; L435-I438 PolarHBondContact O-N 3.38Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.24Å; L435-L439 PolarHBondContact O-N 2.77Å |
| 436 | V | 94.2 | Very high | 92.5 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | I368 M384 D432 L439 K440 | I368-V436 HydrophobicContact CG2-CG2 4.49Å; M384-V436 HydrophobicContact CE-CG2 3.75Å; M384-V436 HydrophobicContact SD-CG2 3.8Å; D432-V436 WeakPolarHBondContact O-CB 3.48Å; D432-V436 VanDerWaalsContact O-CG2 3.3Å; D432-V436 WeakPolarHBondContact O-CG2 3.31Å; D432-V436 PolarHBondContact O-N 3.46Å; V436-L439 PolarHBondContact O-N 3.44Å; V436-K440 HydrophobicContact CG1-CD 3.99Å; V436-K440 HydrophobicContact CG1-CG 4.35Å; V436-K440 WeakPolarHBondContact O-CB 3.37Å; V436-K440 VanDerWaalsContact O-CG 3.29Å; V436-K440 WeakPolarHBondContact O-CG 3.31Å; V436-K440 PolarHBondContact O-N 2.93Å |
| 437 | T | 95.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111.4 | I433 Q434 L435 K440 E441 | I433-T437 WeakPolarHBondContact O-CB 3.19Å; I433-T437 PolarHBondContact O-N 3.44Å; I433-T437 PolarHBondContact O-OG1 3.39Å; Q434-T437 PolarHBondContact O-N 3.46Å; L435-T437 VanDerWaalsContact C-N 3.3Å; L435-T437 PolarHBondContact O-N 2.9Å; T437-K440 PolarHBondContact O-N 2.89Å; T437-E441 PolarHBondContact O-N 3.35Å |
| 438 | I | 96.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.7 | -65.1 | 163 | 0 | 0 | 0 | 110.9 | F388 F392 L411 Y414 L430 Q434 L435 K440 E441 L442 | F388-I438 HydrophobicContact CD2-CG2 4.4Å; F388-I438 HydrophobicContact CE2-CB 3.99Å; F388-I438 HydrophobicContact CE2-CD1 3.95Å; F388-I438 HydrophobicContact CE2-CG2 3.54Å; F388-I438 HydrophobicContact CZ-CG2 4.17Å; F392-I438 HydrophobicContact CE2-CG2 3.72Å; F392-I438 HydrophobicContact CZ-CG2 3.74Å; L411-I438 HydrophobicContact CD2-CG2 3.73Å; Y414-I438 HydrophobicContact CE2-CD1 3.78Å; Y414-I438 HydrophobicContact CE2-CG1 4.5Å; L430-I438 HydrophobicContact CD1-CD1 4.28Å; Q434-I438 VanDerWaalsContact O-CG1 3.3Å; Q434-I438 WeakPolarHBondContact O-CG1 3.22Å; Q434-I438 PolarHBondContact O-N 3Å; L435-I438 PolarHBondContact O-N 3.38Å; I438-K440 VanDerWaalsContact C-N 3.34Å; I438-K440 PolarHBondContact O-N 3.01Å; I438-E441 WeakPolarHBondContact O-CB 3.32Å; I438-E441 PolarHBondContact O-N 3.13Å; I438-L442 PolarHBondContact O-N 2.86Å |
| 439 | L | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 177.7 | -65.6 | 171.9 | 0 | 0 | 0 | 111.9 | I368 N387 F388 M391 L435 V436 L442 Q443 | I368-L439 HydrophobicContact CD1-CB 3.85Å; I368-L439 HydrophobicContact CG1-CB 4.01Å; I368-L439 HydrophobicContact CG2-CD1 4.28Å; N387-L439 HydrophobicContact CB-CD1 4.32Å; F388-L439 HydrophobicContact CB-CD2 4.26Å; F388-L439 HydrophobicContact CD2-CD2 4.2Å; F388-L439 HydrophobicContact CD2-CG 4.45Å; F388-L439 HydrophobicContact CG-CD2 4.48Å; M391-L439 HydrophobicContact CB-CD2 4.04Å; M391-L439 HydrophobicContact CE-CB 4.46Å; M391-L439 HydrophobicContact CE-CD2 3.97Å; M391-L439 HydrophobicContact SD-CD2 3.84Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.24Å; L435-L439 PolarHBondContact O-N 2.77Å; V436-L439 PolarHBondContact O-N 3.44Å; L439-L442 PolarHBondContact O-N 3.28Å; L439-Q443 WeakPolarHBondContact O-CB 3.27Å; L439-Q443 PolarHBondContact O-N 3.24Å |
| 440 | K | 95.5 | Very high | 91.9 | Very high | 127 Ų | 127 | 48.9 Ų | 48.9 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.8 | -40.3 | 173.5 | -75.9 | 179.6 | 178.2 | 177.3 | 0 | 112.1 | I368 V436 T437 I438 S444 | I368-K440 HydrophobicContact CD1-CB 4.26Å; I368-K440 HydrophobicContact CD1-CG 3.42Å; I368-K440 VanDerWaalsContact CD1-CG 3.42Å; V436-K440 HydrophobicContact CG1-CD 3.99Å; V436-K440 HydrophobicContact CG1-CG 4.35Å; V436-K440 WeakPolarHBondContact O-CB 3.37Å; V436-K440 VanDerWaalsContact O-CG 3.29Å; V436-K440 WeakPolarHBondContact O-CG 3.31Å; V436-K440 PolarHBondContact O-N 2.93Å; T437-K440 PolarHBondContact O-N 2.89Å; I438-K440 VanDerWaalsContact C-N 3.34Å; I438-K440 PolarHBondContact O-N 3.01Å; K440-S444 VanDerWaalsContact O-CB 3.31Å; K440-S444 WeakPolarHBondContact O-CB 3.47Å; K440-S444 PolarHBondContact O-N 3.38Å |
| 441 | E | 96 | Very high | 91.3 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.2 | -172.4 | -177.4 | 168.1 | 0 | 0 | 110.7 | L411 T437 I438 S444 I445 | L411-E441 HydrophobicContact CD1-CG 4.17Å; L411-E441 WeakPolarHBondContact CD1-OE1 3.5Å; T437-E441 PolarHBondContact O-N 3.35Å; I438-E441 WeakPolarHBondContact O-CB 3.32Å; I438-E441 PolarHBondContact O-N 3.13Å; E441-S444 WeakPolarHBondContact O-CB 3.45Å; E441-S444 PolarHBondContact O-N 3.48Å; E441-I445 HydrophobicContact CG-CD1 4.28Å; E441-I445 WeakPolarHBondContact O-CG1 3.05Å; E441-I445 PolarHBondContact O-N 3.49Å |
| 442 | L | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | -179.7 | -170.7 | 59.2 | 0 | 0 | 0 | 112.5 | M391 F392 T395 L407 I438 L439 S444 I445 F446 | M391-L442 HydrophobicContact CB-CD2 4.1Å; M391-L442 HydrophobicContact CG-CD2 3.58Å; M391-L442 HydrophobicContact CG-CG 4.29Å; M391-L442 HydrophobicContact SD-CB 4.2Å; M391-L442 HydrophobicContact SD-CD2 3.79Å; M391-L442 HydrophobicContact SD-CG 4.11Å; F392-L442 HydrophobicContact CD2-CD2 4.01Å; F392-L442 HydrophobicContact CE2-CD2 3.97Å; F392-L442 HydrophobicContact CG-CD2 4.33Å; F392-L442 HydrophobicContact CZ-CD2 4.26Å; T395-L442 HydrophobicContact CG2-CD1 3.83Å; T395-L442 WeakPolarHBondContact OG1-CD2 3.46Å; L407-L442 HydrophobicContact CD2-CD1 4Å; I438-L442 PolarHBondContact O-N 2.86Å; L439-L442 PolarHBondContact O-N 3.28Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 2.62Å; L442-I445 WeakPolarHBondContact O-CB 3.32Å; L442-I445 PolarHBondContact O-N 3Å; L442-I445 VanDerWaalsContact O-N 3.14Å; L442-F446 HydrophobicContact CD1-CD2 4.48Å; L442-F446 HydrophobicContact CD1-CE2 4.2Å; L442-F446 HydrophobicContact CG-CD2 4.38Å; L442-F446 HydrophobicContact CG-CE2 4.25Å; L442-F446 WeakPolarHBondContact O-CD2 3.29Å; L442-F446 PolarHBondContact O-N 3.04Å |
| 443 | Q | 93.2 | Very high | 90.4 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 173.2 | -170.4 | -169.9 | 85.7 | 0 | 0 | 110.8 | L366 L439 I445 F446 R447 | L366-Q443 PolarHBondContact O-NE2 3.12Å; L439-Q443 WeakPolarHBondContact O-CB 3.27Å; L439-Q443 PolarHBondContact O-N 3.24Å; Q443-I445 PolarHBondContact O-N 3.48Å; Q443-F446 PolarHBondContact O-N 3.38Å; Q443-R447 WeakPolarHBondContact O-CG 3.42Å; Q443-R447 PolarHBondContact O-N 3.32Å |
| 444 | S | 91.4 | Very high | 90.2 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | K440 E441 L442 F446 R447 I448 | K440-S444 VanDerWaalsContact O-CB 3.31Å; K440-S444 WeakPolarHBondContact O-CB 3.47Å; K440-S444 PolarHBondContact O-N 3.38Å; E441-S444 WeakPolarHBondContact O-CB 3.45Å; E441-S444 PolarHBondContact O-N 3.48Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 2.62Å; S444-F446 PolarHBondContact O-N 3.21Å; S444-R447 WeakPolarHBondContact O-CB 3.2Å; S444-R447 PolarHBondContact O-N 3.3Å; S444-I448 WeakPolarHBondContact O-CG1 3.42Å; S444-I448 PolarHBondContact O-N 3.49Å |
| 445 | I | 92.7 | Very high | 89.8 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.2 | -70.5 | 167.8 | 0 | 0 | 0 | 111.3 | L405 P406 L407 L411 E441 L442 Q443 I448 H449 | L405-I445 HydrophobicContact CB-CG2 4.18Å; L405-I445 HydrophobicContact CD2-CG2 4.45Å; P406-I445 HydrophobicContact CG-CG2 4.12Å; L407-I445 HydrophobicContact CD2-CD1 3.99Å; L407-I445 HydrophobicContact CD2-CG2 4.2Å; L411-I445 HydrophobicContact CD1-CD1 3.37Å; E441-I445 HydrophobicContact CG-CD1 4.28Å; E441-I445 WeakPolarHBondContact O-CG1 3.05Å; E441-I445 PolarHBondContact O-N 3.49Å; L442-I445 WeakPolarHBondContact O-CB 3.32Å; L442-I445 PolarHBondContact O-N 3Å; L442-I445 VanDerWaalsContact O-N 3.14Å; Q443-I445 PolarHBondContact O-N 3.48Å; I445-I448 PolarHBondContact O-N 2.92Å; I445-H449 WeakPolarHBondContact O-CB 3.49Å; I445-H449 PolarHBondContact O-N 3.29Å |
| 446 | F | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 174.1 | -84.7 | -77.3 | 0 | 0 | 0 | 112.2 | M149 L366 Y394 T395 Y398 L405 L442 Q443 S444 I448 H449 W450 | M149-F446 HydrophobicContact CE-CB 3.89Å; L366-F446 HydrophobicContact CD1-CB 3.8Å; L366-F446 HydrophobicContact CD1-CD1 4.33Å; L366-F446 HydrophobicContact CD1-CD2 4.21Å; L366-F446 HydrophobicContact CD1-CG 3.87Å; L366-F446 HydrophobicContact CD2-CD2 3.65Å; L366-F446 HydrophobicContact CD2-CE2 3.87Å; L366-F446 HydrophobicContact CD2-CG 4.16Å; Y394-F446 HydrophobicContact CD1-CE1 4.26Å; Y394-F446 HydrophobicContact CD1-CE2 4.15Å; Y394-F446 AromaticContact CD1-CZ 3.67Å; Y394-F446 HydrophobicContact CD1-CZ 3.67Å; Y394-F446 HydrophobicContact CE1-CD1 4.33Å; Y394-F446 AromaticContact CE1-CE1 3.55Å; Y394-F446 HydrophobicContact CE1-CE1 3.55Å; Y394-F446 HydrophobicContact CE1-CE2 4.15Å; Y394-F446 AromaticContact CE1-CZ 3.44Å; Y394-F446 HydrophobicContact CE1-CZ 3.44Å; Y394-F446 VanDerWaalsContact CE1-CZ 3.44Å; T395-F446 HydrophobicContact CG2-CE2 4.49Å; T395-F446 WeakPolarHBondContact OG1-CE2 3.44Å; Y398-F446 AromaticContact CD1-CE1 3.96Å; Y398-F446 HydrophobicContact CD1-CE1 3.96Å; Y398-F446 HydrophobicContact CD2-CE1 4.28Å; Y398-F446 HydrophobicContact CE1-CE1 4.28Å; Y398-F446 AromaticContact CG-CE1 3.96Å; Y398-F446 HydrophobicContact CG-CE1 3.96Å; Y398-F446 HydrophobicContact CG-CZ 4.44Å; L405-F446 HydrophobicContact CD1-CE1 3.91Å; L405-F446 HydrophobicContact CD1-CE2 4.17Å; L405-F446 HydrophobicContact CD1-CZ 3.66Å; L405-F446 HydrophobicContact CD2-CD1 4.45Å; L405-F446 HydrophobicContact CD2-CE1 4.36Å; L442-F446 HydrophobicContact CD1-CD2 4.48Å; L442-F446 HydrophobicContact CD1-CE2 4.2Å; L442-F446 HydrophobicContact CG-CD2 4.38Å; L442-F446 HydrophobicContact CG-CE2 4.25Å; L442-F446 WeakPolarHBondContact O-CD2 3.29Å; L442-F446 PolarHBondContact O-N 3.04Å; Q443-F446 PolarHBondContact O-N 3.38Å; S444-F446 PolarHBondContact O-N 3.21Å; F446-I448 VanDerWaalsContact C-N 3.32Å; F446-I448 PolarHBondContact O-N 3.43Å; F446-H449 PolarHBondContact O-N 3Å; F446-W450 HydrophobicContact CB-CE3 4.46Å; F446-W450 HydrophobicContact CB-CZ3 4.36Å; F446-W450 AromaticContact CD1-CE2 3.87Å; F446-W450 AromaticContact CD1-CH2 3.84Å; F446-W450 HydrophobicContact CD1-CH2 3.84Å; F446-W450 AromaticContact CD1-CZ2 3.51Å; F446-W450 HydrophobicContact CD1-CZ2 3.51Å; F446-W450 HydrophobicContact CD1-CZ3 4.45Å; F446-W450 HydrophobicContact CE1-CH2 4.47Å; F446-W450 AromaticContact CE1-CZ2 3.98Å; F446-W450 HydrophobicContact CE1-CZ2 3.98Å; F446-W450 HydrophobicContact CG-CH2 4.45Å; F446-W450 HydrophobicContact CG-CZ2 4.49Å; F446-W450 PolarHBondContact O-N 3.45Å |
| 447 | R | 85.4 | Confident | 89.1 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 174.3 | -74.5 | -179.1 | -175.2 | -89 | -0.8 | 111.1 | D132 M149 Q443 S444 T451 | D132-R447 IonicContact OD1-CZ 3.81Å; D132-R447 IonicContact OD1-NH1 3.02Å; D132-R447 PolarHBondContact OD1-NH1 3.01Å; D132-R447 IonicContact OD1-NH2 2.74Å; D132-R447 PolarHBondContact OD1-NH2 2.87Å; D132-R447 IonicContact OD2-NH2 3.92Å; M149-R447 HydrophobicContact CE-CB 4.29Å; M149-R447 HydrophobicContact CE-CG 3.45Å; M149-R447 VanDerWaalsContact CE-CG 3.45Å; M149-R447 HydrophobicContact SD-CG 3.19Å; M149-R447 WeakPolarHBondContact SD-CG 3.43Å; M149-R447 PolarHBondContact SD-NE 2.96Å; Q443-R447 WeakPolarHBondContact O-CG 3.42Å; Q443-R447 PolarHBondContact O-N 3.32Å; S444-R447 WeakPolarHBondContact O-CB 3.2Å; S444-R447 PolarHBondContact O-N 3.3Å; R447-T451 WeakPolarHBondContact O-CB 3.4Å; R447-T451 VanDerWaalsContact O-CG2 3.24Å; R447-T451 WeakPolarHBondContact O-CG2 3.34Å; R447-T451 PolarHBondContact O-N 3.01Å; R447-T451 PolarHBondContact O-OG1 3.38Å |
| 448 | I | 84.9 | Confident | 88.9 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 46% | 0.456 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 178 | -67.8 | 166.2 | 0 | 0 | 0 | 111 | S444 I445 F446 T451 Q452 | S444-I448 WeakPolarHBondContact O-CG1 3.42Å; S444-I448 PolarHBondContact O-N 3.49Å; I445-I448 PolarHBondContact O-N 2.92Å; F446-I448 VanDerWaalsContact C-N 3.32Å; F446-I448 PolarHBondContact O-N 3.43Å; I448-T451 WeakPolarHBondContact CA-OG1 3.34Å; I448-T451 PolarHBondContact O-N 2.99Å; I448-T451 PolarHBondContact O-OG1 3.41Å; I448-Q452 VanDerWaalsContact O-CG 3.3Å; I448-Q452 WeakPolarHBondContact O-CG 3.34Å |
| 449 | H | 85.3 | Confident | 88.6 | Confident | 29 Ų | 29 | 52 Ų | 52 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -45.9 | -178 | -177.1 | 66.2 | 0 | 0 | 0 | 112.7 | Y398 S403 L405 I445 F446 T451 Q452 | Y398-H449 AromaticContact CE1-CD2 3.72Å; Y398-H449 AromaticContact CE1-NE2 3.63Å; Y398-H449 PolarHBondContact OH-NE2 3.01Å; S403-H449 PolarHBondContact OG-CE1 2.58Å; S403-H449 VanDerWaalsContact OG-CE1 3.28Å; S403-H449 PolarHBondContact OG-NE2 3.3Å; L405-H449 HydrophobicContact CD2-CB 3.69Å; L405-H449 VanDerWaalsContact CD2-CG 3.44Å; I445-H449 WeakPolarHBondContact O-CB 3.49Å; I445-H449 PolarHBondContact O-N 3.29Å; F446-H449 PolarHBondContact O-N 3Å; H449-T451 PolarHBondContact O-N 3.24Å; H449-Q452 WeakPolarHBondContact O-CG 3.48Å; H449-Q452 PolarHBondContact O-N 3.05Å |
| 450 | W | 81.3 | Confident | 88.2 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78 | -6.3 | -179.6 | -64.5 | -31.7 | 0 | 0 | 0 | 114.2 | L49 R51 M149 L366 Y394 Y398 F446 | L49-W450 WeakPolarHBondContact CB-O 3.33Å; R51-W450 HydrophobicContact CB-CD2 4.43Å; R51-W450 HydrophobicContact CB-CG 4.43Å; R51-W450 HydrophobicContact CG-CD2 3.93Å; R51-W450 HydrophobicContact CG-CE3 4.41Å; R51-W450 HydrophobicContact CG-CG 4.36Å; R51-W450 HydrophobicContact CG-CH2 4.23Å; R51-W450 HydrophobicContact CG-CZ2 3.73Å; M149-W450 HydrophobicContact CB-CE3 4.38Å; M149-W450 HydrophobicContact CB-CZ3 4.15Å; M149-W450 HydrophobicContact CE-CE3 3.67Å; M149-W450 HydrophobicContact CE-CZ3 3.57Å; L366-W450 HydrophobicContact CD1-CH2 3.44Å; L366-W450 VanDerWaalsContact CD1-CH2 3.44Å; L366-W450 HydrophobicContact CD1-CZ3 3.45Å; L366-W450 VanDerWaalsContact CD1-CZ3 3.45Å; Y394-W450 WeakPolarHBondContact OH-CZ2 3.31Å; Y398-W450 HydrophobicContact CE2-CZ2 4.24Å; Y398-W450 AromaticContact CZ-NE1 3.53Å; Y398-W450 PolarHBondContact OH-NE1 3.05Å; F446-W450 HydrophobicContact CB-CE3 4.46Å; F446-W450 HydrophobicContact CB-CZ3 4.36Å; F446-W450 AromaticContact CD1-CE2 3.87Å; F446-W450 AromaticContact CD1-CH2 3.84Å; F446-W450 HydrophobicContact CD1-CH2 3.84Å; F446-W450 AromaticContact CD1-CZ2 3.51Å; F446-W450 HydrophobicContact CD1-CZ2 3.51Å; F446-W450 HydrophobicContact CD1-CZ3 4.45Å; F446-W450 HydrophobicContact CE1-CH2 4.47Å; F446-W450 AromaticContact CE1-CZ2 3.98Å; F446-W450 HydrophobicContact CE1-CZ2 3.98Å; F446-W450 HydrophobicContact CG-CH2 4.45Å; F446-W450 HydrophobicContact CG-CZ2 4.49Å; F446-W450 PolarHBondContact O-N 3.45Å |
| 451 | T | 78.3 | Confident | 88 | Confident | 77 Ų | 77 | 46.4 Ų | 46.4 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 14.2 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | L49 R447 I448 H449 | L49-T451 HydrophobicContact CD1-CG2 3.98Å; R447-T451 WeakPolarHBondContact O-CB 3.4Å; R447-T451 VanDerWaalsContact O-CG2 3.24Å; R447-T451 WeakPolarHBondContact O-CG2 3.34Å; R447-T451 PolarHBondContact O-N 3.01Å; R447-T451 PolarHBondContact O-OG1 3.38Å; I448-T451 WeakPolarHBondContact CA-OG1 3.34Å; I448-T451 PolarHBondContact O-N 2.99Å; I448-T451 PolarHBondContact O-OG1 3.41Å; H449-T451 PolarHBondContact O-N 3.24Å |
| 452 | Q | 80.1 | Confident | 88 | Confident | 116 Ų | 116 | 43.7 Ų | 43.7 | 54% | 0.542 | 22% | 0.217 | S | C | . | . | trans | -84.4 | 133.5 | 176.3 | -61.9 | -170.6 | -3.8 | 0 | 0 | 112.7 | I448 H449 | I448-Q452 VanDerWaalsContact O-CG 3.3Å; I448-Q452 WeakPolarHBondContact O-CG 3.34Å; H449-Q452 WeakPolarHBondContact O-CG 3.48Å; H449-Q452 PolarHBondContact O-N 3.05Å | ||
| 453 | F | 85.7 | Confident | 87.8 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | trans | -91.8 | 150.1 | 175.5 | -59 | -79.4 | 0 | 0 | 0 | 111.7 | F47 L49 D455 I458 R1008 R1009 W1014 | F47-F453 HydrophobicContact CD2-CD1 4.05Å; F47-F453 AromaticContact CD2-CE1 3.86Å; F47-F453 HydrophobicContact CD2-CE1 3.86Å; F47-F453 HydrophobicContact CE2-CD1 4.48Å; F47-F453 AromaticContact CE2-CE1 3.86Å; F47-F453 HydrophobicContact CE2-CE1 3.86Å; F47-F453 HydrophobicContact CE2-CZ 4.5Å; F47-F453 WeakPolarHBondContact O-CD1 3.2Å; F47-F453 WeakPolarHBondContact O-CE1 3.41Å; L49-F453 HydrophobicContact CD2-CD1 4.07Å; L49-F453 HydrophobicContact CD2-CE1 3.94Å; L49-F453 HydrophobicContact CD2-CZ 4.32Å; L49-F453 HydrophobicContact CG-CE1 4.46Å; F453-D455 PolarHBondContact O-N 2.76Å; F453-I458 HydrophobicContact CB-CD1 3.99Å; F453-R1008 HydrophobicContact CD1-CB 4.33Å; F453-R1008 HydrophobicContact CD2-CB 4.15Å; F453-R1008 HydrophobicContact CD2-CG 3.82Å; F453-R1008 HydrophobicContact CE1-CB 4.15Å; F453-R1008 HydrophobicContact CE2-CB 3.97Å; F453-R1008 HydrophobicContact CE2-CG 4.01Å; F453-R1008 WeakPolarHBondContact CE2-O 3.27Å; F453-R1008 HydrophobicContact CG-CB 4.32Å; F453-R1008 HydrophobicContact CG-CG 4.18Å; F453-R1008 HydrophobicContact CZ-CB 3.97Å; F453-R1008 WeakPolarHBondContact CZ-O 3.16Å; F453-R1009 HydrophobicContact CE2-CG 4.32Å; F453-W1014 HydrophobicContact CE1-CH2 4.1Å; F453-W1014 AromaticContact CE1-CZ2 3.88Å; F453-W1014 HydrophobicContact CE1-CZ2 3.88Å; F453-W1014 AromaticContact CZ-CZ2 3.91Å; F453-W1014 HydrophobicContact CZ-CZ2 3.91Å | ||
| 454 | N | 86.2 | Confident | 87.6 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | trans | -92.2 | 90.8 | 168.8 | -171.1 | -43.2 | 0 | 0 | 0 | 110.3 | G46 L456 R457 I458 | G46-N454 PolarHBondContact O-N 3.46Å; N454-L456 PolarHBondContact O-N 3.14Å; N454-L456 PolarHBondContact OD1-N 2.84Å; N454-R457 HydrophobicContact CB-CB 4.27Å; N454-R457 HydrophobicContact CB-CG 4.38Å; N454-R457 PolarHBondContact O-N 3.13Å; N454-R457 PolarHBondContact OD1-N 2.73Å; N454-I458 WeakPolarHBondContact O-CG1 3.13Å; N454-I458 PolarHBondContact O-N 2.9Å; N454-I458 VanDerWaalsContact O-N 3.1Å | ||
| 455 | D | 87.2 | Confident | 87.7 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.1 | -33.3 | -176.5 | -71.2 | -11.6 | 0 | 0 | 0 | 113.2 | F453 F459 R1008 | F453-D455 PolarHBondContact O-N 2.76Å; D455-F459 WeakPolarHBondContact O-CB 3.42Å; D455-F459 PolarHBondContact O-N 3.38Å; D455-R1008 IonicContact OD1-CZ 3.39Å; D455-R1008 IonicContact OD1-NE 3.43Å; D455-R1008 PolarHBondContact OD1-NE 3.26Å; D455-R1008 IonicContact OD1-NH2 2.56Å; D455-R1008 PolarHBondContact OD1-NH2 3.48Å; D455-R1008 IonicContact OD2-CZ 3.66Å; D455-R1008 IonicContact OD2-NH2 3.24Å; D455-R1008 PolarHBondContact OD2-NH2 3.14Å |
| 456 | L | 86.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 43 Ų | 43 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65 | -54.7 | 176 | -71.8 | 173.7 | 0 | 0 | 0 | 110.3 | N454 I458 F459 F460 N509 L512 | N454-L456 PolarHBondContact O-N 3.14Å; N454-L456 PolarHBondContact OD1-N 2.84Å; L456-I458 VanDerWaalsContact C-N 3.26Å; L456-I458 PolarHBondContact O-N 2.74Å; L456-F459 WeakPolarHBondContact O-CA 3.18Å; L456-F459 WeakPolarHBondContact O-CB 3.13Å; L456-F459 PolarHBondContact O-N 3.12Å; L456-F460 HydrophobicContact CB-CD2 4.5Å; L456-F460 WeakPolarHBondContact O-CD2 3.43Å; L456-F460 PolarHBondContact O-N 3.06Å; L456-N509 HydrophobicContact CD1-CB 3.74Å; L456-L512 HydrophobicContact CB-CD2 4.13Å |
| 457 | R | 87.4 | Confident | 87.6 | Confident | 46 Ų | 46 | 43 Ų | 43 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -39.2 | -179.7 | -71 | 178.8 | -179.1 | -169.9 | -5.7 | 112.5 | L42 H45 N454 F460 G461 | L42-R457 HydrophobicContact CD1-CB 4.36Å; L42-R457 HydrophobicContact CD1-CG 4.16Å; L42-R457 HydrophobicContact CG-CB 4.44Å; H45-R457 PolarHBondContact CD2-NH1 3.06Å; H45-R457 PolarHBondContact CE1-NH1 3.17Å; H45-R457 VanDerWaalsContact CG-NH1 3.34Å; H45-R457 PolarHBondContact ND1-NH1 3.32Å; H45-R457 PolarHBondContact NE2-NH1 3.5Å; N454-R457 HydrophobicContact CB-CB 4.27Å; N454-R457 HydrophobicContact CB-CG 4.38Å; N454-R457 PolarHBondContact O-N 3.13Å; N454-R457 PolarHBondContact OD1-N 2.73Å; R457-F460 PolarHBondContact O-N 3.03Å; R457-G461 PolarHBondContact O-N 3.29Å |
| 458 | I | 91.7 | Very high | 87.8 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -53.4 | 171.8 | -68.8 | 173.9 | 0 | 0 | 0 | 110.5 | F43 F47 F453 N454 L456 F460 G461 L462 | F43-I458 HydrophobicContact CD2-CB 4.44Å; F43-I458 HydrophobicContact CD2-CG2 3.93Å; F43-I458 HydrophobicContact CE2-CB 4.48Å; F43-I458 HydrophobicContact CE2-CG2 3.57Å; F43-I458 HydrophobicContact CZ-CG2 4.29Å; F47-I458 HydrophobicContact CB-CD1 4.19Å; F47-I458 HydrophobicContact CB-CG1 4.16Å; F47-I458 HydrophobicContact CD2-CD1 4.49Å; F453-I458 HydrophobicContact CB-CD1 3.99Å; N454-I458 WeakPolarHBondContact O-CG1 3.13Å; N454-I458 PolarHBondContact O-N 2.9Å; N454-I458 VanDerWaalsContact O-N 3.1Å; L456-I458 VanDerWaalsContact C-N 3.26Å; L456-I458 PolarHBondContact O-N 2.74Å; I458-F460 PolarHBondContact O-N 3.32Å; I458-G461 PolarHBondContact O-N 3.42Å; I458-L462 HydrophobicContact CG2-CD1 4.34Å; I458-L462 WeakPolarHBondContact O-CG 3.03Å; I458-L462 PolarHBondContact O-N 3.38Å |
| 459 | F | 90.9 | Very high | 88.1 | Confident | 104 Ų | 104 | 36.6 Ų | 36.6 | 46% | 0.456 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 178.8 | 174.6 | -98.5 | 0 | 0 | 0 | 112.6 | D455 L456 L462 F463 F516 | D455-F459 WeakPolarHBondContact O-CB 3.42Å; D455-F459 PolarHBondContact O-N 3.38Å; L456-F459 WeakPolarHBondContact O-CA 3.18Å; L456-F459 WeakPolarHBondContact O-CB 3.13Å; L456-F459 PolarHBondContact O-N 3.12Å; F459-L462 WeakPolarHBondContact O-CB 3.36Å; F459-L462 PolarHBondContact O-N 3.05Å; F459-F463 WeakPolarHBondContact O-CB 3.28Å; F459-F463 PolarHBondContact O-N 2.95Å; F459-F516 AromaticContact CE1-CD2 3.98Å; F459-F516 HydrophobicContact CE1-CD2 3.98Å; F459-F516 AromaticContact CE1-CE2 3.52Å; F459-F516 HydrophobicContact CE1-CE2 3.52Å; F459-F516 HydrophobicContact CE1-CZ 4.04Å; F459-F516 AromaticContact CZ-CE2 3.84Å; F459-F516 HydrophobicContact CZ-CE2 3.84Å; F459-F516 HydrophobicContact CZ-CZ 4.06Å |
| 460 | F | 87.5 | Confident | 88.1 | Confident | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 178.2 | -87.6 | -85.5 | 0 | 0 | 0 | 113 | L42 L456 R457 I458 L462 F463 L464 L512 F516 | L42-F460 HydrophobicContact CD2-CB 3.55Å; L42-F460 HydrophobicContact CG-CB 4.5Å; L456-F460 HydrophobicContact CB-CD2 4.5Å; L456-F460 WeakPolarHBondContact O-CD2 3.43Å; L456-F460 PolarHBondContact O-N 3.06Å; R457-F460 PolarHBondContact O-N 3.03Å; I458-F460 PolarHBondContact O-N 3.32Å; F460-L462 VanDerWaalsContact C-N 3.34Å; F460-F463 PolarHBondContact O-N 3.04Å; F460-L464 WeakPolarHBondContact O-CB 3.49Å; F460-L464 WeakPolarHBondContact O-CG 3.39Å; F460-L464 PolarHBondContact O-N 2.84Å; F460-L512 HydrophobicContact CB-CD2 4.42Å; F460-L512 HydrophobicContact CD1-CD2 4.44Å; F460-L512 HydrophobicContact CD1-CG 3.94Å; F460-L512 HydrophobicContact CD2-CB 4.47Å; F460-L512 HydrophobicContact CD2-CD2 3.11Å; F460-L512 HydrophobicContact CD2-CG 3.47Å; F460-L512 VanDerWaalsContact CD2-CG 3.47Å; F460-L512 HydrophobicContact CE1-CB 4.4Å; F460-L512 HydrophobicContact CE1-CG 3.81Å; F460-L512 WeakPolarHBondContact CE1-O 3.13Å; F460-L512 HydrophobicContact CE2-CB 3.93Å; F460-L512 HydrophobicContact CE2-CD2 3.31Å; F460-L512 HydrophobicContact CE2-CG 3.4Å; F460-L512 VanDerWaalsContact CE2-CG 3.4Å; F460-L512 HydrophobicContact CG-CD1 4.46Å; F460-L512 HydrophobicContact CG-CD2 3.76Å; F460-L512 HydrophobicContact CG-CG 3.76Å; F460-L512 HydrophobicContact CZ-CB 3.89Å; F460-L512 HydrophobicContact CZ-CD2 4.03Å; F460-L512 HydrophobicContact CZ-CG 3.57Å; F460-L512 WeakPolarHBondContact CZ-O 3.48Å; F460-F516 HydrophobicContact CD1-CB 4.48Å; F460-F516 HydrophobicContact CE1-CB 3.38Å; F460-F516 HydrophobicContact CE1-CD2 4.07Å; F460-F516 HydrophobicContact CE1-CG 4.16Å; F460-F516 HydrophobicContact CZ-CB 3.59Å; F460-F516 HydrophobicContact CZ-CD2 4.44Å; F460-F516 HydrophobicContact CZ-CG 4.31Å |
| 461 | G | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G39 R457 I458 L464 T465 | G39-G461 WeakPolarHBondContact O-CA 3.44Å; R457-G461 PolarHBondContact O-N 3.29Å; I458-G461 PolarHBondContact O-N 3.42Å; G461-L464 PolarHBondContact O-N 3.26Å; G461-T465 WeakPolarHBondContact O-CG2 3.31Å; G461-T465 PolarHBondContact O-N 3.31Å; G461-T465 VanDerWaalsContact O-N 3.09Å; G461-T465 PolarHBondContact O-OG1 2.86Å |
| 462 | L | 94.6 | Very high | 88.5 | Confident | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 171.9 | -72.3 | 171 | 0 | 0 | 0 | 111.9 | F43 I458 F459 F460 T465 T466 L998 M1001 L1002 | F43-L462 HydrophobicContact CD2-CD2 4.19Å; F43-L462 HydrophobicContact CD2-CG 3.93Å; F43-L462 HydrophobicContact CE2-CD1 4.31Å; F43-L462 HydrophobicContact CE2-CD2 4.01Å; F43-L462 HydrophobicContact CE2-CG 3.94Å; I458-L462 HydrophobicContact CG2-CD1 4.34Å; I458-L462 WeakPolarHBondContact O-CG 3.03Å; I458-L462 PolarHBondContact O-N 3.38Å; F459-L462 WeakPolarHBondContact O-CB 3.36Å; F459-L462 PolarHBondContact O-N 3.05Å; F460-L462 VanDerWaalsContact C-N 3.34Å; L462-T465 WeakPolarHBondContact CA-OG1 3.46Å; L462-T465 PolarHBondContact O-N 3.28Å; L462-T465 PolarHBondContact O-OG1 3.04Å; L462-T466 VanDerWaalsContact O-CG2 3.26Å; L462-T466 WeakPolarHBondContact O-CG2 3.23Å; L462-T466 PolarHBondContact O-N 2.93Å; L462-T466 PolarHBondContact O-OG1 2.76Å; L462-L998 HydrophobicContact CD2-CD1 4.25Å; L462-M1001 HydrophobicContact CD2-CB 3.6Å; L462-M1001 HydrophobicContact CD2-CE 4.4Å; L462-L1002 HydrophobicContact CD1-CD2 3.99Å; L462-L1002 HydrophobicContact CD2-CD2 3.72Å; L462-L1002 HydrophobicContact CD2-CG 3.88Å; L462-L1002 HydrophobicContact CG-CD2 4.38Å |
| 463 | F | 90.7 | Very high | 88.6 | Confident | 23 Ų | 23 | 31.1 Ų | 31.1 | 10% | 0.101 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 179.3 | -179.7 | -97.4 | 0 | 0 | 0 | 112.9 | F459 F460 T465 T466 F467 F516 L519 F520 | F459-F463 WeakPolarHBondContact O-CB 3.28Å; F459-F463 PolarHBondContact O-N 2.95Å; F460-F463 PolarHBondContact O-N 3.04Å; F463-T465 PolarHBondContact O-N 3.43Å; F463-T466 WeakPolarHBondContact CA-OG1 3.48Å; F463-T466 PolarHBondContact O-N 2.95Å; F463-T466 PolarHBondContact O-OG1 3.41Å; F463-F467 VanDerWaalsContact O-CB 3.22Å; F463-F467 WeakPolarHBondContact O-CB 3.25Å; F463-F467 PolarHBondContact O-N 3.3Å; F463-F516 HydrophobicContact CB-CE2 4.27Å; F463-F516 AromaticContact CD1-CD2 3.87Å; F463-F516 HydrophobicContact CD1-CD2 3.87Å; F463-F516 AromaticContact CD1-CE2 3.89Å; F463-F516 HydrophobicContact CD1-CE2 3.89Å; F463-F516 HydrophobicContact CD2-CD2 4.32Å; F463-F516 AromaticContact CD2-CE2 3.51Å; F463-F516 HydrophobicContact CD2-CE2 3.51Å; F463-F516 HydrophobicContact CD2-CZ 4.27Å; F463-F516 HydrophobicContact CE1-CD2 4.06Å; F463-F516 HydrophobicContact CE1-CE2 4.08Å; F463-F516 HydrophobicContact CE2-CD2 4.49Å; F463-F516 AromaticContact CE2-CE2 3.72Å; F463-F516 HydrophobicContact CE2-CE2 3.72Å; F463-F516 HydrophobicContact CE2-CZ 4.19Å; F463-F516 HydrophobicContact CG-CD2 4Å; F463-F516 AromaticContact CG-CE2 3.6Å; F463-F516 HydrophobicContact CG-CE2 3.6Å; F463-F516 HydrophobicContact CZ-CD2 4.37Å; F463-F516 HydrophobicContact CZ-CE2 4Å; F463-L519 HydrophobicContact CD1-CD1 4.36Å; F463-L519 HydrophobicContact CE1-CB 3.6Å; F463-L519 HydrophobicContact CE1-CD1 4.19Å; F463-L519 HydrophobicContact CZ-CB 4.38Å; F463-F520 HydrophobicContact CE2-CD2 4.28Å; F463-F520 HydrophobicContact CZ-CB 4.15Å; F463-F520 HydrophobicContact CZ-CD2 4.33Å |
| 464 | L | 89.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 177.1 | -78.8 | 169.6 | 0 | 0 | 0 | 112.3 | I35 L42 F460 G461 S468 L519 | I35-L464 HydrophobicContact CG2-CB 4.49Å; I35-L464 HydrophobicContact CG2-CD2 4.12Å; L42-L464 HydrophobicContact CD2-CD1 3.93Å; F460-L464 WeakPolarHBondContact O-CB 3.49Å; F460-L464 WeakPolarHBondContact O-CG 3.39Å; F460-L464 PolarHBondContact O-N 2.84Å; G461-L464 PolarHBondContact O-N 3.26Å; L464-S468 WeakPolarHBondContact O-CB 3.33Å; L464-S468 PolarHBondContact O-N 3.25Å; L464-L519 HydrophobicContact CD2-CD1 3.52Å; L464-L519 HydrophobicContact CD2-CD2 4.34Å; L464-L519 HydrophobicContact CG-CD1 4.32Å |
| 465 | T | 93.8 | Very high | 87.7 | Confident | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.2 | -39 | 178.1 | 48 | 0 | 0 | 0 | 0 | 112.5 | A36 I40 G461 L462 F463 S468 L469 M1001 | A36-T465 WeakPolarHBondContact O-CG2 3.35Å; I40-T465 HydrophobicContact CG1-CG2 3.96Å; G461-T465 WeakPolarHBondContact O-CG2 3.31Å; G461-T465 PolarHBondContact O-N 3.31Å; G461-T465 VanDerWaalsContact O-N 3.09Å; G461-T465 PolarHBondContact O-OG1 2.86Å; L462-T465 WeakPolarHBondContact CA-OG1 3.46Å; L462-T465 PolarHBondContact O-N 3.28Å; L462-T465 PolarHBondContact O-OG1 3.04Å; F463-T465 PolarHBondContact O-N 3.43Å; T465-S468 PolarHBondContact O-N 3.1Å; T465-L469 WeakPolarHBondContact O-CB 3.26Å; T465-L469 PolarHBondContact O-N 3.4Å; T465-M1001 HydrophobicContact CG2-CE 3.68Å; T465-M1001 HydrophobicContact CG2-SD 3.74Å |
| 466 | T | 92.5 | Very high | 87.1 | Confident | 41 Ų | 41 | 25.5 Ų | 25.5 | 25% | 0.252 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65 | -43.2 | 172 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | L462 F463 S468 L469 I470 L998 | L462-T466 VanDerWaalsContact O-CG2 3.26Å; L462-T466 WeakPolarHBondContact O-CG2 3.23Å; L462-T466 PolarHBondContact O-N 2.93Å; L462-T466 PolarHBondContact O-OG1 2.76Å; F463-T466 WeakPolarHBondContact CA-OG1 3.48Å; F463-T466 PolarHBondContact O-N 2.95Å; F463-T466 PolarHBondContact O-OG1 3.41Å; T466-S468 PolarHBondContact O-N 3.37Å; T466-L469 PolarHBondContact O-N 3.48Å; T466-I470 WeakPolarHBondContact O-CG1 3.23Å; T466-I470 PolarHBondContact O-N 3.37Å; T466-L998 HydrophobicContact CG2-CD1 3.7Å; T466-L998 HydrophobicContact CG2-CD2 3.65Å; T466-L998 HydrophobicContact CG2-CG 4.3Å |
| 467 | F | 88 | Confident | 86.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.5 | -51.6 | 174.3 | 173.5 | -96.4 | 0 | 0 | 0 | 111.2 | I35 F463 L469 I470 T471 L492 T495 L523 | I35-F467 HydrophobicContact CD1-CE1 4.28Å; I35-F467 HydrophobicContact CG2-CD1 4.2Å; F463-F467 VanDerWaalsContact O-CB 3.22Å; F463-F467 WeakPolarHBondContact O-CB 3.25Å; F463-F467 PolarHBondContact O-N 3.3Å; F467-L469 VanDerWaalsContact C-N 3.34Å; F467-L469 PolarHBondContact O-N 3.14Å; F467-I470 PolarHBondContact O-N 2.83Å; F467-T471 PolarHBondContact O-N 2.87Å; F467-T471 PolarHBondContact O-OG1 2.89Å; F467-L492 HydrophobicContact CE1-CD2 3.87Å; F467-L492 HydrophobicContact CZ-CD2 4.28Å; F467-T495 HydrophobicContact CE1-CG2 4.01Å; F467-T495 HydrophobicContact CZ-CG2 4.09Å; F467-L523 HydrophobicContact CD2-CB 3.74Å; F467-L523 HydrophobicContact CD2-CD1 3.72Å; F467-L523 HydrophobicContact CD2-CD2 4.37Å; F467-L523 HydrophobicContact CD2-CG 4.12Å; F467-L523 HydrophobicContact CE2-CB 3.79Å; F467-L523 HydrophobicContact CE2-CD1 4.03Å; F467-L523 HydrophobicContact CE2-CG 4.46Å |
| 468 | S | 90.2 | Very high | 84.8 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 177 | 167.3 | 0 | 0 | 0 | 0 | 112.3 | S32 A36 L464 T465 T466 I470 T471 L472 | S32-S468 WeakPolarHBondContact O-CB 3.43Å; S32-S468 PolarHBondContact O-OG 2.84Å; A36-S468 WeakPolarHBondContact CB-OG 3.26Å; L464-S468 WeakPolarHBondContact O-CB 3.33Å; L464-S468 PolarHBondContact O-N 3.25Å; T465-S468 PolarHBondContact O-N 3.1Å; T466-S468 PolarHBondContact O-N 3.37Å; S468-I470 PolarHBondContact O-N 3.39Å; S468-T471 PolarHBondContact O-N 3.05Å; S468-L472 WeakPolarHBondContact O-CB 3.27Å; S468-L472 PolarHBondContact O-N 3.17Å |
| 469 | L | 91.2 | Very high | 83 | Confident | 27 Ų | 27 | 28.8 Ų | 28.8 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 179 | 178 | 65.5 | 0 | 0 | 0 | 111.8 | T465 T466 F467 L472 L473 I991 V995 L998 | T465-L469 WeakPolarHBondContact O-CB 3.26Å; T465-L469 PolarHBondContact O-N 3.4Å; T466-L469 PolarHBondContact O-N 3.48Å; F467-L469 VanDerWaalsContact C-N 3.34Å; F467-L469 PolarHBondContact O-N 3.14Å; L469-L472 PolarHBondContact O-N 3.46Å; L469-L473 WeakPolarHBondContact O-CB 3.37Å; L469-L473 PolarHBondContact O-N 3.39Å; L469-I991 HydrophobicContact CD1-CG2 3.88Å; L469-V995 HydrophobicContact CD1-CG2 4Å; L469-V995 HydrophobicContact CD2-CG2 3.86Å; L469-L998 HydrophobicContact CD2-CD2 3.86Å |
| 470 | I | 84.9 | Confident | 81.2 | Confident | 59 Ų | 59 | 26 Ų | 26 | 30% | 0.303 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.3 | -48 | 178 | -66.1 | 165.1 | 0 | 0 | 0 | 110.1 | T466 F467 S468 L472 L473 L474 L523 | T466-I470 WeakPolarHBondContact O-CG1 3.23Å; T466-I470 PolarHBondContact O-N 3.37Å; F467-I470 PolarHBondContact O-N 2.83Å; S468-I470 PolarHBondContact O-N 3.39Å; I470-L472 VanDerWaalsContact C-N 3.3Å; I470-L472 PolarHBondContact O-N 3.27Å; I470-L473 PolarHBondContact O-N 3.07Å; I470-L474 HydrophobicContact CG2-CD1 3.88Å; I470-L474 HydrophobicContact CG2-CG 4.28Å; I470-L474 VanDerWaalsContact O-CG 3.28Å; I470-L474 WeakPolarHBondContact O-CG 3.43Å; I470-L474 PolarHBondContact O-N 3.36Å; I470-L523 HydrophobicContact CB-CD1 4.25Å; I470-L523 HydrophobicContact CD1-CD1 4.27Å; I470-L523 HydrophobicContact CD1-CD2 4.3Å; I470-L523 HydrophobicContact CG2-CD1 3.9Å |
| 471 | T | 81.1 | Confident | 79.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 176.3 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | S32 F467 S468 L473 L474 S475 L492 L526 | S32-T471 WeakPolarHBondContact OG-CG2 3.25Å; F467-T471 PolarHBondContact O-N 2.87Å; F467-T471 PolarHBondContact O-OG1 2.89Å; S468-T471 PolarHBondContact O-N 3.05Å; T471-L473 VanDerWaalsContact C-N 3.34Å; T471-L473 PolarHBondContact O-N 3.4Å; T471-L474 PolarHBondContact O-N 3.36Å; T471-S475 WeakPolarHBondContact O-CB 3.28Å; T471-S475 PolarHBondContact O-N 3.23Å; T471-L492 HydrophobicContact CG2-CD1 3.84Å; T471-L492 HydrophobicContact CG2-CD2 3.71Å; T471-L492 HydrophobicContact CG2-CG 4.28Å; T471-L526 HydrophobicContact CG2-CD2 4.05Å |
| 472 | L | 86.3 | Confident | 78.2 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | -180 | -171.6 | 60.7 | 0 | 0 | 0 | 110.9 | K29 S468 L469 I470 S475 I476 W987 I990 I991 | K29-L472 HydrophobicContact CB-CD1 4Å; K29-L472 HydrophobicContact CG-CD1 3.99Å; S468-L472 WeakPolarHBondContact O-CB 3.27Å; S468-L472 PolarHBondContact O-N 3.17Å; L469-L472 PolarHBondContact O-N 3.46Å; I470-L472 VanDerWaalsContact C-N 3.3Å; I470-L472 PolarHBondContact O-N 3.27Å; L472-S475 PolarHBondContact O-N 3.39Å; L472-S475 PolarHBondContact O-OG 3.29Å; L472-I476 WeakPolarHBondContact O-CG1 3.28Å; L472-I476 PolarHBondContact O-N 2.8Å; L472-W987 HydrophobicContact CD1-CE3 3.82Å; L472-W987 HydrophobicContact CD1-CZ3 3.98Å; L472-I990 HydrophobicContact CD2-CG2 4.06Å; L472-I991 HydrophobicContact CB-CD1 4.38Å; L472-I991 HydrophobicContact CB-CG1 4.23Å; L472-I991 HydrophobicContact CD2-CD1 4.35Å; L472-I991 HydrophobicContact CD2-CG1 3.49Å; L472-I991 VanDerWaalsContact CD2-CG1 3.49Å; L472-I991 HydrophobicContact CG-CD1 3.92Å; L472-I991 HydrophobicContact CG-CG1 3.61Å |
| 473 | L | 82.6 | Confident | 76.7 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.5 | -177.3 | 64.7 | 0 | 0 | 0 | 112.1 | L469 I470 T471 S475 I476 W881 I991 | L469-L473 WeakPolarHBondContact O-CB 3.37Å; L469-L473 PolarHBondContact O-N 3.39Å; I470-L473 PolarHBondContact O-N 3.07Å; T471-L473 VanDerWaalsContact C-N 3.34Å; T471-L473 PolarHBondContact O-N 3.4Å; L473-S475 VanDerWaalsContact C-N 3.27Å; L473-S475 PolarHBondContact O-N 2.9Å; L473-I476 PolarHBondContact O-N 3.48Å; L473-W881 HydrophobicContact CD1-CH2 3.52Å; L473-W881 HydrophobicContact CD1-CZ2 3.48Å; L473-W881 VanDerWaalsContact CD1-CZ2 3.48Å; L473-I991 HydrophobicContact CB-CD1 4.16Å; L473-I991 HydrophobicContact CD1-CD1 4.15Å |
| 474 | L | 76.7 | Confident | 75.7 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -29.6 | 178.1 | -62.7 | 175.2 | 0 | 0 | 0 | 112.3 | I470 T471 L526 Y530 | I470-L474 HydrophobicContact CG2-CD1 3.88Å; I470-L474 HydrophobicContact CG2-CG 4.28Å; I470-L474 VanDerWaalsContact O-CG 3.28Å; I470-L474 WeakPolarHBondContact O-CG 3.43Å; I470-L474 PolarHBondContact O-N 3.36Å; T471-L474 PolarHBondContact O-N 3.36Å; L474-L526 HydrophobicContact CD1-CD2 3.84Å; L474-L526 HydrophobicContact CD1-CG 3.95Å; L474-Y530 HydrophobicContact CB-CD2 4.39Å; L474-Y530 HydrophobicContact CD2-CD1 4.16Å; L474-Y530 HydrophobicContact CD2-CD2 3.65Å; L474-Y530 HydrophobicContact CD2-CE1 4.2Å; L474-Y530 HydrophobicContact CD2-CE2 3.64Å; L474-Y530 HydrophobicContact CD2-CG 3.91Å; L474-Y530 HydrophobicContact CG-CD2 4.45Å |
| 475 | S | 75.9 | Confident | 74.8 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.1 | -21.3 | 179.8 | 80.7 | 0 | 0 | 0 | 0 | 115.2 | K29 T471 L472 L473 | K29-S475 WeakPolarHBondContact CE-O 3.5Å; K29-S475 VanDerWaalsContact CG-OG 3.31Å; K29-S475 WeakPolarHBondContact CG-OG 3.48Å; T471-S475 WeakPolarHBondContact O-CB 3.28Å; T471-S475 PolarHBondContact O-N 3.23Å; L472-S475 PolarHBondContact O-N 3.39Å; L472-S475 PolarHBondContact O-OG 3.29Å; L473-S475 VanDerWaalsContact C-N 3.27Å; L473-S475 PolarHBondContact O-N 2.9Å |
| 476 | I | 74.6 | Confident | 73.8 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -83.8 | -41.1 | -179.6 | -69.2 | 175.9 | 0 | 0 | 0 | 111 | L472 L473 K478 L984 W987 R988 I991 | L472-I476 WeakPolarHBondContact O-CG1 3.28Å; L472-I476 PolarHBondContact O-N 2.8Å; L473-I476 PolarHBondContact O-N 3.48Å; I476-K478 PolarHBondContact O-N 3.44Å; I476-L984 HydrophobicContact CG2-CD1 3.25Å; I476-W987 HydrophobicContact CD1-CB 3.33Å; I476-W987 HydrophobicContact CD1-CG 4.46Å; I476-W987 HydrophobicContact CG1-CB 3.72Å; I476-W987 HydrophobicContact CG1-CG 4.44Å; I476-R988 HydrophobicContact CD1-CG 4.42Å; I476-I991 HydrophobicContact CD1-CD1 3.18Å; I476-I991 HydrophobicContact CD1-CG1 4.12Å; I476-I991 HydrophobicContact CG1-CD1 4.28Å |
| 477 | E | 66.1 | Low | 72.9 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -71.6 | 114.8 | 172.1 | -58.9 | -65.1 | 160.5 | 0 | 0 | 106.2 | V479 L541 R544 W881 R988 | E477-V479 VanDerWaalsContact C-N 3.34Å; E477-V479 HydrophobicContact CB-CG2 4.22Å; E477-V479 WeakPolarHBondContact O-CG2 3.06Å; E477-V479 PolarHBondContact O-N 3.14Å; E477-L541 HydrophobicContact CG-CD1 3.94Å; E477-R544 IonicContact OE2-CZ 3.06Å; E477-R544 IonicContact OE2-NE 3.56Å; E477-R544 IonicContact OE2-NH1 3.05Å; E477-W881 PolarHBondContact OE1-NE1 2.86Å; E477-R988 IonicContact OE1-NH2 3.62Å |
| 478 | K | 60.3 | Low | 72.3 | Confident | 160 Ų | 160 | 46.5 Ų | 46.5 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | trans | -67.4 | 77.2 | -168.2 | -69.3 | 179.4 | 174.8 | 178.4 | 0 | 113 | I476 | I476-K478 PolarHBondContact O-N 3.44Š| ||
| 479 | V | 52.1 | Low | 71.7 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | trans | -112.4 | -9.9 | -165.8 | 179.6 | 0 | 0 | 0 | 0 | 115.9 | E477 Y530 I537 | E477-V479 VanDerWaalsContact C-N 3.34Å; E477-V479 HydrophobicContact CB-CG2 4.22Å; E477-V479 WeakPolarHBondContact O-CG2 3.06Å; E477-V479 PolarHBondContact O-N 3.14Å; V479-Y530 HydrophobicContact CB-CD2 3.89Å; V479-Y530 HydrophobicContact CB-CE2 3.54Å; V479-Y530 HydrophobicContact CG1-CD2 3.51Å; V479-Y530 HydrophobicContact CG1-CE2 3.51Å; V479-Y530 HydrophobicContact CG1-CG 4.27Å; V479-Y530 HydrophobicContact CG2-CD2 4.27Å; V479-Y530 HydrophobicContact CG2-CE2 3.43Å; V479-Y530 VanDerWaalsContact CG2-CE2 3.43Å; V479-I537 HydrophobicContact CB-CD1 4.46Å; V479-I537 HydrophobicContact CG1-CD1 3.91Å; V479-I537 HydrophobicContact CG1-CG2 4.19Å; V479-I537 HydrophobicContact CG2-CD1 4.1Å; V479-I537 HydrophobicContact CG2-CG2 3.58Å | ||
| 480 | Y | 53.7 | Low | 71.3 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | trans | -91.6 | 133.8 | -171.5 | -58.5 | -70.3 | 0 | 0 | 0 | 114.6 | D484 I485 L526 | Y480-D484 HydrophobicContact CD1-CB 3.99Å; Y480-I485 HydrophobicContact CD2-CG1 4.22Å; Y480-I485 HydrophobicContact CG-CG1 3.87Å; Y480-L526 HydrophobicContact CE1-CD1 3.98Å; Y480-L526 WeakPolarHBondContact OH-CD1 3.1Å | ||
| 481 | S | 57 | Low | 71 | Confident | 66 Ų | 66 | 52 Ų | 52 | 46% | 0.462 | 25% | 0.252 | S | S | . | . | trans | -63.2 | 149.3 | 153.2 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | R483 D484 I485 | S481-R483 PolarHBondContact O-N 3.29Å; S481-R483 VanDerWaalsContact O-N 3.11Å; S481-D484 WeakPolarHBondContact CB-OD2 3.14Å; S481-D484 PolarHBondContact O-N 3.08Å; S481-I485 PolarHBondContact O-N 2.73Å | ||
| 482 | T | 60.1 | Low | 71.1 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 37% | 0.368 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53.8 | -36.6 | -177.4 | 54.7 | 0 | 0 | 0 | 0 | 113 | D21 I485 H486 | D21-T482 VanDerWaalsContact OD1-CG2 3.28Å; D21-T482 WeakPolarHBondContact OD1-CG2 3.24Å; T482-I485 PolarHBondContact O-N 3.39Å; T482-H486 PolarHBondContact O-CD2 3.26Å; T482-H486 PolarHBondContact O-N 2.97Å |
| 483 | R | 63.3 | Low | 71 | Confident | 198 Ų | 198 | 55.9 Ų | 55.9 | 75% | 0.747 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 175.7 | -67.9 | -176.6 | 95.1 | 144.3 | 2.4 | 112.5 | S481 I485 H486 I487 | S481-R483 PolarHBondContact O-N 3.29Å; S481-R483 VanDerWaalsContact O-N 3.11Å; R483-I485 VanDerWaalsContact C-N 3.28Å; R483-I485 PolarHBondContact O-N 2.95Å; R483-H486 PolarHBondContact O-N 2.98Å; R483-I487 WeakPolarHBondContact O-CG1 3.12Å; R483-I487 PolarHBondContact O-N 3.5Å |
| 484 | D | 69.3 | Low | 71.1 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -32.5 | -179.3 | -57 | -25.4 | 0 | 0 | 0 | 111.2 | Y480 S481 S488 S533 | Y480-D484 HydrophobicContact CD1-CB 3.99Å; S481-D484 WeakPolarHBondContact CB-OD2 3.14Å; S481-D484 PolarHBondContact O-N 3.08Å; D484-S488 WeakPolarHBondContact O-CB 2.78Å; D484-S488 PolarHBondContact O-N 3.17Å; D484-S488 PolarHBondContact O-OG 2.97Å; D484-S533 PolarHBondContact OD2-OG 2.83Å |
| 485 | I | 70.8 | Confident | 71.4 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.1 | -52.6 | 174.3 | 0 | 0 | 0 | 110.9 | I24 Y480 S481 T482 R483 I487 S488 I489 | I24-I485 HydrophobicContact CG2-CB 4.16Å; I24-I485 HydrophobicContact CG2-CG2 3.27Å; Y480-I485 HydrophobicContact CD2-CG1 4.22Å; Y480-I485 HydrophobicContact CG-CG1 3.87Å; S481-I485 PolarHBondContact O-N 2.73Å; T482-I485 PolarHBondContact O-N 3.39Å; R483-I485 VanDerWaalsContact C-N 3.28Å; R483-I485 PolarHBondContact O-N 2.95Å; I485-I487 VanDerWaalsContact C-N 3.34Å; I485-I487 PolarHBondContact O-N 3.36Å; I485-S488 PolarHBondContact O-N 3.47Å; I485-I489 HydrophobicContact CG2-CD1 3.85Å; I485-I489 HydrophobicContact CG2-CG1 4.37Å; I485-I489 WeakPolarHBondContact O-CG1 3.35Å; I485-I489 PolarHBondContact O-N 3.26Å |
| 486 | H | 73.8 | Confident | 71.8 | Confident | 105 Ų | 105 | 57 Ų | 57 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | -179.5 | -72.9 | -64 | 0 | 0 | 0 | 112.1 | T482 R483 I489 L490 | T482-H486 PolarHBondContact O-CD2 3.26Å; T482-H486 PolarHBondContact O-N 2.97Å; R483-H486 PolarHBondContact O-N 2.98Å; H486-I489 PolarHBondContact O-N 3.38Å; H486-L490 PolarHBondContact O-N 2.94Å |
| 487 | I | 73.8 | Confident | 72.3 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 176.6 | -64.2 | 171.4 | 0 | 0 | 0 | 110.1 | R483 I485 I489 L490 F491 Y525 | R483-I487 WeakPolarHBondContact O-CG1 3.12Å; R483-I487 PolarHBondContact O-N 3.5Å; I485-I487 VanDerWaalsContact C-N 3.34Å; I485-I487 PolarHBondContact O-N 3.36Å; I487-I489 VanDerWaalsContact C-N 3.31Å; I487-I489 PolarHBondContact O-N 3.42Å; I487-L490 PolarHBondContact O-N 2.89Å; I487-F491 HydrophobicContact CG2-CD2 3.64Å; I487-F491 HydrophobicContact CG2-CE2 3.4Å; I487-F491 WeakPolarHBondContact O-CD2 2.97Å; I487-F491 PolarHBondContact O-N 3.28Å; I487-Y525 HydrophobicContact CG2-CD1 4.46Å; I487-Y525 HydrophobicContact CG2-CE1 3.51Å |
| 488 | S | 73.4 | Confident | 73 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 177.1 | -58 | 0 | 0 | 0 | 0 | 112.1 | D484 I485 F491 L492 L526 | D484-S488 WeakPolarHBondContact O-CB 2.78Å; D484-S488 PolarHBondContact O-N 3.17Å; D484-S488 PolarHBondContact O-OG 2.97Å; I485-S488 PolarHBondContact O-N 3.47Å; S488-F491 PolarHBondContact O-N 2.89Å; S488-L492 VanDerWaalsContact O-CG 3.26Å; S488-L492 WeakPolarHBondContact O-CG 3.24Å; S488-L492 PolarHBondContact O-N 2.9Å; S488-L526 WeakPolarHBondContact OG-CD1 3.33Å |
| 489 | I | 79.3 | Confident | 74.1 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 177.4 | -72.7 | 169.5 | 0 | 0 | 0 | 111.8 | I24 L27 L31 I485 H486 I487 F491 L492 L493 | I24-I489 HydrophobicContact CB-CD1 4.39Å; I24-I489 HydrophobicContact CG2-CD1 3.26Å; L27-I489 HydrophobicContact CD2-CD1 4.45Å; L27-I489 HydrophobicContact CD2-CG2 4.21Å; L31-I489 HydrophobicContact CD1-CG2 4Å; I485-I489 HydrophobicContact CG2-CD1 3.85Å; I485-I489 HydrophobicContact CG2-CG1 4.37Å; I485-I489 WeakPolarHBondContact O-CG1 3.35Å; I485-I489 PolarHBondContact O-N 3.26Å; H486-I489 PolarHBondContact O-N 3.38Å; I487-I489 VanDerWaalsContact C-N 3.31Å; I487-I489 PolarHBondContact O-N 3.42Å; I489-F491 VanDerWaalsContact C-N 3.26Å; I489-F491 PolarHBondContact O-N 3.02Å; I489-L492 PolarHBondContact O-N 3.24Å; I489-L493 WeakPolarHBondContact O-CB 3.37Å; I489-L493 PolarHBondContact O-N 3.5Å |
| 490 | L | 81.3 | Confident | 75.6 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 63% | 0.634 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.7 | -43.9 | 176.6 | 179.8 | 64.6 | 0 | 0 | 0 | 110.5 | H486 I487 F494 | H486-L490 PolarHBondContact O-N 2.94Å; I487-L490 PolarHBondContact O-N 2.89Å; L490-F494 WeakPolarHBondContact O-CB 3.31Å; L490-F494 PolarHBondContact O-N 3.34Å |
| 491 | F | 79.4 | Confident | 76.9 | Confident | 63 Ų | 63 | 57 Ų | 57 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 173.3 | -81.7 | -63.3 | 0 | 0 | 0 | 111.7 | I487 S488 I489 L493 F494 T495 S522 Y525 | I487-F491 HydrophobicContact CG2-CD2 3.64Å; I487-F491 HydrophobicContact CG2-CE2 3.4Å; I487-F491 WeakPolarHBondContact O-CD2 2.97Å; I487-F491 PolarHBondContact O-N 3.28Å; S488-F491 PolarHBondContact O-N 2.89Å; I489-F491 VanDerWaalsContact C-N 3.26Å; I489-F491 PolarHBondContact O-N 3.02Å; F491-L493 VanDerWaalsContact C-N 3.33Å; F491-L493 PolarHBondContact O-N 3.03Å; F491-F494 CarbonylContact O-C 3.6Å; F491-F494 WeakPolarHBondContact O-CB 3.29Å; F491-F494 PolarHBondContact O-N 3.22Å; F491-F494 VanDerWaalsContact O-N 3.13Å; F491-T495 WeakPolarHBondContact O-CG2 3.41Å; F491-T495 PolarHBondContact O-N 3.34Å; F491-S522 WeakPolarHBondContact CB-OG 3.5Å; F491-S522 WeakPolarHBondContact CD1-OG 3.49Å; F491-S522 WeakPolarHBondContact CG-OG 3.33Å; F491-Y525 HydrophobicContact CD2-CD1 4.23Å; F491-Y525 HydrophobicContact CD2-CE1 4.46Å; F491-Y525 AromaticContact CE2-CD1 3.7Å; F491-Y525 HydrophobicContact CE2-CD1 3.7Å; F491-Y525 AromaticContact CE2-CE1 3.87Å; F491-Y525 HydrophobicContact CE2-CE1 3.87Å; F491-Y525 HydrophobicContact CE2-CG 4.39Å; F491-Y525 HydrophobicContact CZ-CD1 4.47Å |
| 492 | L | 82.8 | Confident | 78 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | -180 | -70.5 | 167.8 | 0 | 0 | 0 | 112.4 | S28 L31 I35 F467 T471 S488 I489 F494 T495 C496 | S28-L492 WeakPolarHBondContact OG-CD1 3.16Å; L31-L492 HydrophobicContact CB-CB 4Å; L31-L492 HydrophobicContact CB-CD1 4.46Å; L31-L492 HydrophobicContact CD1-CB 4.03Å; I35-L492 HydrophobicContact CD1-CB 4.22Å; I35-L492 HydrophobicContact CD1-CD2 3.43Å; I35-L492 VanDerWaalsContact CD1-CD2 3.43Å; I35-L492 HydrophobicContact CD1-CG 4.44Å; F467-L492 HydrophobicContact CE1-CD2 3.87Å; F467-L492 HydrophobicContact CZ-CD2 4.28Å; T471-L492 HydrophobicContact CG2-CD1 3.84Å; T471-L492 HydrophobicContact CG2-CD2 3.71Å; T471-L492 HydrophobicContact CG2-CG 4.28Å; S488-L492 VanDerWaalsContact O-CG 3.26Å; S488-L492 WeakPolarHBondContact O-CG 3.24Å; S488-L492 PolarHBondContact O-N 2.9Å; I489-L492 PolarHBondContact O-N 3.24Å; L492-F494 VanDerWaalsContact C-N 3.33Å; L492-F494 PolarHBondContact O-N 2.96Å; L492-T495 WeakPolarHBondContact CA-OG1 3.43Å; L492-T495 PolarHBondContact O-N 3.47Å; L492-T495 PolarHBondContact O-OG1 3.35Å; L492-C496 PolarHBondContact O-N 3.48Å; L492-C496 PolarHBondContact O-SG 3.18Å |
| 493 | L | 85.2 | Confident | 78.9 | Confident | 82 Ų | 82 | 54 Ų | 54 | 43% | 0.429 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.1 | -177.2 | 67.3 | 0 | 0 | 0 | 111 | L31 I489 F491 T495 C496 I497 | L31-L493 HydrophobicContact CD2-CD1 4.35Å; I489-L493 WeakPolarHBondContact O-CB 3.37Å; I489-L493 PolarHBondContact O-N 3.5Å; F491-L493 VanDerWaalsContact C-N 3.33Å; F491-L493 PolarHBondContact O-N 3.03Å; L493-T495 PolarHBondContact O-N 3.27Å; L493-C496 WeakPolarHBondContact O-CB 3.32Å; L493-C496 PolarHBondContact O-N 2.91Å; L493-I497 HydrophobicContact CG-CD1 4.12Å; L493-I497 WeakPolarHBondContact O-CG1 3.47Å; L493-I497 PolarHBondContact O-N 2.79Å |
| 494 | F | 83.6 | Confident | 79.7 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 40% | 0.395 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 177.3 | -179.3 | -113.5 | 0 | 0 | 0 | 112 | L490 F491 L492 C496 I497 L498 L518 | L490-F494 WeakPolarHBondContact O-CB 3.31Å; L490-F494 PolarHBondContact O-N 3.34Å; F491-F494 CarbonylContact O-C 3.6Å; F491-F494 WeakPolarHBondContact O-CB 3.29Å; F491-F494 PolarHBondContact O-N 3.22Å; F491-F494 VanDerWaalsContact O-N 3.13Å; L492-F494 VanDerWaalsContact C-N 3.33Å; L492-F494 PolarHBondContact O-N 2.96Å; F494-C496 VanDerWaalsContact C-N 3.33Å; F494-C496 PolarHBondContact O-N 3.02Å; F494-I497 PolarHBondContact O-N 3.41Å; F494-L498 HydrophobicContact CE1-CD2 4.14Å; F494-L498 HydrophobicContact CZ-CD2 4.26Å; F494-L498 WeakPolarHBondContact O-CB 3.44Å; F494-L498 PolarHBondContact O-N 3.22Å; F494-L518 HydrophobicContact CD1-CD2 4.36Å; F494-L518 HydrophobicContact CE1-CD1 4.21Å; F494-L518 HydrophobicContact CE1-CD2 3.18Å; F494-L518 HydrophobicContact CE1-CG 3.74Å; F494-L518 HydrophobicContact CZ-CD2 3.55Å |
| 495 | T | 82.5 | Confident | 79.5 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 173.1 | 71 | 0 | 0 | 0 | 0 | 112.4 | I35 F467 F491 L492 L493 S499 L519 | I35-T495 WeakPolarHBondContact CD1-OG1 3.4Å; F467-T495 HydrophobicContact CE1-CG2 4.01Å; F467-T495 HydrophobicContact CZ-CG2 4.09Å; F491-T495 WeakPolarHBondContact O-CG2 3.41Å; F491-T495 PolarHBondContact O-N 3.34Å; L492-T495 WeakPolarHBondContact CA-OG1 3.43Å; L492-T495 PolarHBondContact O-N 3.47Å; L492-T495 PolarHBondContact O-OG1 3.35Å; L493-T495 PolarHBondContact O-N 3.27Å; T495-S499 VanDerWaalsContact O-CB 3.29Å; T495-S499 WeakPolarHBondContact O-CB 3.43Å; T495-S499 PolarHBondContact O-N 2.72Å; T495-S499 PolarHBondContact O-OG 3.2Å; T495-L519 VanDerWaalsContact CB-CD2 3.41Å; T495-L519 HydrophobicContact CG2-CD2 3.16Å |
| 496 | C | 85.4 | Confident | 79.1 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -50.4 | 175.2 | -67 | 0 | 0 | 0 | 0 | 111.1 | I35 L38 L492 L493 F494 L498 S499 F500 | I35-C496 WeakPolarHBondContact CG1-SG 3.33Å; L38-C496 HydrophobicContact CD1-CB 4.36Å; L492-C496 PolarHBondContact O-N 3.48Å; L492-C496 PolarHBondContact O-SG 3.18Å; L493-C496 WeakPolarHBondContact O-CB 3.32Å; L493-C496 PolarHBondContact O-N 2.91Å; F494-C496 VanDerWaalsContact C-N 3.33Å; F494-C496 PolarHBondContact O-N 3.02Å; C496-L498 VanDerWaalsContact C-N 3.29Å; C496-L498 PolarHBondContact O-N 3.36Å; C496-S499 PolarHBondContact O-N 2.76Å; C496-S499 PolarHBondContact O-OG 3.39Å; C496-S499 VanDerWaalsContact O-OG 3.08Å; C496-F500 VanDerWaalsContact O-CB 3.25Å; C496-F500 WeakPolarHBondContact O-CB 3.33Å; C496-F500 PolarHBondContact O-N 3Å |
| 497 | I | 85 | Confident | 78.8 | Confident | 87 Ų | 87 | 58 Ų | 58 | 45% | 0.446 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | -179.7 | -67.5 | 165.6 | 0 | 0 | 0 | 109.6 | L493 F494 F500 I501 | L493-I497 HydrophobicContact CG-CD1 4.12Å; L493-I497 WeakPolarHBondContact O-CG1 3.47Å; L493-I497 PolarHBondContact O-N 2.79Å; F494-I497 PolarHBondContact O-N 3.41Å; I497-F500 PolarHBondContact O-N 3.4Å; I497-I501 HydrophobicContact CG2-CD1 3.75Å; I497-I501 HydrophobicContact CG2-CG1 4.5Å; I497-I501 WeakPolarHBondContact O-CB 3.49Å; I497-I501 WeakPolarHBondContact O-CG1 3.46Å; I497-I501 PolarHBondContact O-N 3.46Å |
| 498 | L | 81 | Confident | 78.4 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -41 | -175.8 | -166.1 | 56.9 | 0 | 0 | 0 | 112.9 | F494 C496 I501 C502 F511 I515 L518 | F494-L498 HydrophobicContact CE1-CD2 4.14Å; F494-L498 HydrophobicContact CZ-CD2 4.26Å; F494-L498 WeakPolarHBondContact O-CB 3.44Å; F494-L498 PolarHBondContact O-N 3.22Å; C496-L498 VanDerWaalsContact C-N 3.29Å; C496-L498 PolarHBondContact O-N 3.36Å; L498-I501 WeakPolarHBondContact O-CB 3.38Å; L498-I501 PolarHBondContact O-N 3.2Å; L498-C502 PolarHBondContact O-N 3.41Å; L498-C502 PolarHBondContact O-SG 3.33Å; L498-C502 VanDerWaalsContact O-SG 3.35Å; L498-F511 HydrophobicContact CD1-CE1 4.44Å; L498-F511 HydrophobicContact CD1-CZ 4.08Å; L498-I515 HydrophobicContact CD1-CD1 3.34Å; L498-I515 HydrophobicContact CD1-CG1 3.55Å; L498-I515 HydrophobicContact CD2-CB 4.03Å; L498-I515 HydrophobicContact CD2-CD1 4.25Å; L498-I515 HydrophobicContact CD2-CG1 3.67Å; L498-I515 HydrophobicContact CD2-CG2 3.66Å; L498-I515 HydrophobicContact CG-CB 4.11Å; L498-I515 HydrophobicContact CG-CD1 3.48Å; L498-I515 VanDerWaalsContact CG-CD1 3.48Å; L498-I515 HydrophobicContact CG-CG1 3.48Å; L498-I515 VanDerWaalsContact CG-CG1 3.48Å; L498-I515 HydrophobicContact CG-CG2 3.67Å; L498-L518 HydrophobicContact CD2-CD2 3.85Å |
| 499 | S | 82.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69 | -35.5 | 174.5 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | L38 T495 C496 C502 L503 | L38-S499 VanDerWaalsContact CD1-OG 3.22Å; L38-S499 WeakPolarHBondContact CD1-OG 3.38Å; T495-S499 VanDerWaalsContact O-CB 3.29Å; T495-S499 WeakPolarHBondContact O-CB 3.43Å; T495-S499 PolarHBondContact O-N 2.72Å; T495-S499 PolarHBondContact O-OG 3.2Å; C496-S499 PolarHBondContact O-N 2.76Å; C496-S499 PolarHBondContact O-OG 3.39Å; C496-S499 VanDerWaalsContact O-OG 3.08Å; S499-C502 WeakPolarHBondContact O-CB 3.29Å; S499-C502 PolarHBondContact O-N 3.32Å; S499-L503 PolarHBondContact O-N 3.32Å |
| 500 | F | 84.7 | Confident | 77.9 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 171.3 | -177.8 | -102.1 | 0 | 0 | 0 | 111.6 | L38 C496 I497 C502 L503 L504 | L38-F500 HydrophobicContact CD1-CB 4.45Å; L38-F500 HydrophobicContact CD2-CB 4.3Å; L38-F500 HydrophobicContact CD2-CD2 4.13Å; C496-F500 VanDerWaalsContact O-CB 3.25Å; C496-F500 WeakPolarHBondContact O-CB 3.33Å; C496-F500 PolarHBondContact O-N 3Å; I497-F500 PolarHBondContact O-N 3.4Å; F500-C502 VanDerWaalsContact C-N 3.35Å; F500-C502 PolarHBondContact O-N 3.14Å; F500-L503 WeakPolarHBondContact O-CB 3.49Å; F500-L503 PolarHBondContact O-N 3.11Å; F500-L503 VanDerWaalsContact O-N 3.16Å; F500-L504 HydrophobicContact CD1-CD1 4.24Å; F500-L504 HydrophobicContact CE1-CD1 3.89Å; F500-L504 HydrophobicContact CE1-CG 4.41Å; F500-L504 PolarHBondContact O-N 2.86Å |
| 501 | I | 81.7 | Confident | 77.4 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.1 | -72.5 | 170.6 | 0 | 0 | 0 | 111.4 | I497 L498 L503 L504 Y507 F511 | I497-I501 HydrophobicContact CG2-CD1 3.75Å; I497-I501 HydrophobicContact CG2-CG1 4.5Å; I497-I501 WeakPolarHBondContact O-CB 3.49Å; I497-I501 WeakPolarHBondContact O-CG1 3.46Å; I497-I501 PolarHBondContact O-N 3.46Å; L498-I501 WeakPolarHBondContact O-CB 3.38Å; L498-I501 PolarHBondContact O-N 3.2Å; I501-L503 VanDerWaalsContact C-N 3.33Å; I501-L503 PolarHBondContact O-N 3.33Å; I501-L504 PolarHBondContact O-N 3.46Å; I501-Y507 HydrophobicContact CB-CE2 4.38Å; I501-Y507 HydrophobicContact CG2-CD2 3.82Å; I501-Y507 HydrophobicContact CG2-CE1 4.45Å; I501-Y507 HydrophobicContact CG2-CE2 3.06Å; I501-Y507 VanDerWaalsContact CG2-CZ 3.42Å; I501-Y507 WeakPolarHBondContact CG2-OH 3.29Å; I501-F511 HydrophobicContact CG2-CE1 3.86Å; I501-F511 HydrophobicContact CG2-CZ 4.15Å |
| 502 | C | 78.3 | Confident | 77 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 172.9 | -71.9 | 0 | 0 | 0 | 0 | 113 | L42 L498 S499 F500 L504 G505 L512 I515 | L42-C502 HydrophobicContact CD1-CB 4.38Å; L498-C502 PolarHBondContact O-N 3.41Å; L498-C502 PolarHBondContact O-SG 3.33Å; L498-C502 VanDerWaalsContact O-SG 3.35Å; S499-C502 WeakPolarHBondContact O-CB 3.29Å; S499-C502 PolarHBondContact O-N 3.32Å; F500-C502 VanDerWaalsContact C-N 3.35Å; F500-C502 PolarHBondContact O-N 3.14Å; C502-L504 PolarHBondContact O-N 3.3Å; C502-G505 PolarHBondContact O-N 3.49Å; C502-L512 HydrophobicContact CB-CD1 3.99Å; C502-L512 VanDerWaalsContact SG-CD1 3.57Å; C502-I515 WeakPolarHBondContact SG-CD1 2.99Å |
| 503 | L | 80.2 | Confident | 76.6 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 28% | 0.277 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -31.1 | -177.7 | -172.1 | 65 | 0 | 0 | 0 | 111.7 | L38 L42 S499 F500 I501 G505 | L38-L503 HydrophobicContact CD2-CD2 4.16Å; L42-L503 HydrophobicContact CB-CD1 4.48Å; S499-L503 PolarHBondContact O-N 3.32Å; F500-L503 WeakPolarHBondContact O-CB 3.49Å; F500-L503 PolarHBondContact O-N 3.11Å; F500-L503 VanDerWaalsContact O-N 3.16Å; I501-L503 VanDerWaalsContact C-N 3.33Å; I501-L503 PolarHBondContact O-N 3.33Å; L503-G505 PolarHBondContact O-N 2.83Å |
| 504 | L | 78.9 | Confident | 76 | Confident | 95 Ų | 95 | 70.1 Ų | 70.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -10.4 | 174.3 | -67.3 | 170.3 | 0 | 0 | 0 | 113.7 | F500 I501 C502 Y506 | F500-L504 HydrophobicContact CD1-CD1 4.24Å; F500-L504 HydrophobicContact CE1-CD1 3.89Å; F500-L504 HydrophobicContact CE1-CG 4.41Å; F500-L504 PolarHBondContact O-N 2.86Å; I501-L504 PolarHBondContact O-N 3.46Å; C502-L504 PolarHBondContact O-N 3.3Å; L504-Y506 VanDerWaalsContact C-N 3.3Å; L504-Y506 HydrophobicContact CB-CD2 4.05Å; L504-Y506 HydrophobicContact CB-CE2 4.43Å; L504-Y506 WeakPolarHBondContact O-CD2 3.35Å; L504-Y506 PolarHBondContact O-N 3.4Å; L504-Y506 VanDerWaalsContact O-N 3.17Å |
| 505 | G | 66.5 | Low | 75.5 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | trans | 77.2 | -1.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | C502 L503 Y507 | C502-G505 PolarHBondContact O-N 3.49Å; L503-G505 PolarHBondContact O-N 2.83Å; G505-Y507 VanDerWaalsContact C-N 3.25Å; G505-Y507 PolarHBondContact O-N 3.26Å | ||
| 506 | Y | 62.6 | Low | 75.1 | Confident | 200 Ų | 200 | 68.1 Ų | 68.1 | 78% | 0.784 | 33% | 0.332 | S | S | * | . | trans | -75.9 | 0.8 | -175.4 | -72.5 | -76.3 | 0 | 0 | 0 | 116 | L504 | L504-Y506 VanDerWaalsContact C-N 3.3Å; L504-Y506 HydrophobicContact CB-CD2 4.05Å; L504-Y506 HydrophobicContact CB-CE2 4.43Å; L504-Y506 WeakPolarHBondContact O-CD2 3.35Å; L504-Y506 PolarHBondContact O-N 3.4Å; L504-Y506 VanDerWaalsContact O-N 3.17Å | ||
| 507 | Y | 66.4 | Low | 74.7 | Confident | 114 Ų | 114 | 70.1 Ų | 70.1 | 45% | 0.447 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -117 | 148.3 | -167.8 | -58.7 | -84.9 | 0 | 0 | 0 | 114.1 | I501 G505 F511 | I501-Y507 HydrophobicContact CB-CE2 4.38Å; I501-Y507 HydrophobicContact CG2-CD2 3.82Å; I501-Y507 HydrophobicContact CG2-CE1 4.45Å; I501-Y507 HydrophobicContact CG2-CE2 3.06Å; I501-Y507 VanDerWaalsContact CG2-CZ 3.42Å; I501-Y507 WeakPolarHBondContact CG2-OH 3.29Å; G505-Y507 VanDerWaalsContact C-N 3.25Å; G505-Y507 PolarHBondContact O-N 3.26Å; Y507-F511 HydrophobicContact CD1-CB 4.4Å; Y507-F511 AromaticContact CD1-CD1 3.57Å; Y507-F511 HydrophobicContact CD1-CD1 3.57Å; Y507-F511 HydrophobicContact CD1-CD2 4.12Å; Y507-F511 AromaticContact CD1-CE1 3.65Å; Y507-F511 HydrophobicContact CD1-CE1 3.65Å; Y507-F511 HydrophobicContact CD1-CE2 4.25Å; Y507-F511 AromaticContact CD1-CG 3.78Å; Y507-F511 HydrophobicContact CD1-CG 3.78Å; Y507-F511 HydrophobicContact CD1-CZ 4.02Å; Y507-F511 AromaticContact CD2-CD1 3.92Å; Y507-F511 HydrophobicContact CD2-CD1 3.92Å; Y507-F511 AromaticContact CD2-CE1 3.77Å; Y507-F511 HydrophobicContact CD2-CE1 3.77Å; Y507-F511 HydrophobicContact CE1-CD1 4.36Å; Y507-F511 AromaticContact CE1-CE1 3.98Å; Y507-F511 HydrophobicContact CE1-CE1 3.98Å; Y507-F511 HydrophobicContact CE1-CE2 4.38Å; Y507-F511 HydrophobicContact CE1-CZ 4.02Å; Y507-F511 HydrophobicContact CE2-CE1 4.14Å; Y507-F511 HydrophobicContact CG-CB 4.39Å; Y507-F511 AromaticContact CG-CD1 3.29Å; Y507-F511 HydrophobicContact CG-CD1 3.29Å; Y507-F511 AromaticContact CG-CE1 3.53Å; Y507-F511 HydrophobicContact CG-CE1 3.53Å; Y507-F511 AromaticContact CG-CG 3.89Å; Y507-F511 HydrophobicContact CG-CG 3.89Å; Y507-F511 HydrophobicContact CG-CZ 4.35Å |
| 508 | S | 65.9 | Low | 74.2 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | trans | -66.8 | 158.4 | 176.1 | 67 | 0 | 0 | 0 | 0 | 112.1 | I510 F511 L512 | S508-I510 PolarHBondContact O-N 3.03Å; S508-F511 WeakPolarHBondContact O-CB 3.44Å; S508-F511 PolarHBondContact O-N 3.29Å; S508-L512 PolarHBondContact O-N 3.09Å | ||
| 509 | N | 70.8 | Confident | 73.8 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.2 | -27.1 | 173.2 | -67.9 | -22.3 | 0 | 0 | 0 | 112.9 | L456 L512 F513 | L456-N509 HydrophobicContact CD1-CB 3.74Å; N509-L512 WeakPolarHBondContact O-CB 3.46Å; N509-L512 PolarHBondContact O-N 3.38Å; N509-F513 PolarHBondContact O-N 3.38Å |
| 510 | I | 70.8 | Confident | 73.6 | Confident | 114 Ų | 114 | 73.7 Ų | 73.7 | 59% | 0.585 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 175.7 | -64.2 | 169.4 | 0 | 0 | 0 | 110.8 | S508 L512 F513 F514 | S508-I510 PolarHBondContact O-N 3.03Å; I510-L512 VanDerWaalsContact C-N 3.33Å; I510-F513 WeakPolarHBondContact O-CB 3.39Å; I510-F513 PolarHBondContact O-N 3.26Å; I510-F514 HydrophobicContact CG2-CD2 3.97Å; I510-F514 HydrophobicContact CG2-CE2 3.69Å; I510-F514 VanDerWaalsContact O-CD2 3.27Å; I510-F514 WeakPolarHBondContact O-CD2 3.46Å; I510-F514 PolarHBondContact O-N 2.79Å; I510-F514 VanDerWaalsContact O-N 3.09Å |
| 511 | F | 71.7 | Confident | 73.2 | Confident | 62 Ų | 62 | 73 Ų | 73 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.6 | -174.3 | -107.9 | 0 | 0 | 0 | 111 | L498 I501 Y507 S508 F513 F514 I515 | L498-F511 HydrophobicContact CD1-CE1 4.44Å; L498-F511 HydrophobicContact CD1-CZ 4.08Å; I501-F511 HydrophobicContact CG2-CE1 3.86Å; I501-F511 HydrophobicContact CG2-CZ 4.15Å; Y507-F511 HydrophobicContact CD1-CB 4.4Å; Y507-F511 AromaticContact CD1-CD1 3.57Å; Y507-F511 HydrophobicContact CD1-CD1 3.57Å; Y507-F511 HydrophobicContact CD1-CD2 4.12Å; Y507-F511 AromaticContact CD1-CE1 3.65Å; Y507-F511 HydrophobicContact CD1-CE1 3.65Å; Y507-F511 HydrophobicContact CD1-CE2 4.25Å; Y507-F511 AromaticContact CD1-CG 3.78Å; Y507-F511 HydrophobicContact CD1-CG 3.78Å; Y507-F511 HydrophobicContact CD1-CZ 4.02Å; Y507-F511 AromaticContact CD2-CD1 3.92Å; Y507-F511 HydrophobicContact CD2-CD1 3.92Å; Y507-F511 AromaticContact CD2-CE1 3.77Å; Y507-F511 HydrophobicContact CD2-CE1 3.77Å; Y507-F511 HydrophobicContact CE1-CD1 4.36Å; Y507-F511 AromaticContact CE1-CE1 3.98Å; Y507-F511 HydrophobicContact CE1-CE1 3.98Å; Y507-F511 HydrophobicContact CE1-CE2 4.38Å; Y507-F511 HydrophobicContact CE1-CZ 4.02Å; Y507-F511 HydrophobicContact CE2-CE1 4.14Å; Y507-F511 HydrophobicContact CG-CB 4.39Å; Y507-F511 AromaticContact CG-CD1 3.29Å; Y507-F511 HydrophobicContact CG-CD1 3.29Å; Y507-F511 AromaticContact CG-CE1 3.53Å; Y507-F511 HydrophobicContact CG-CE1 3.53Å; Y507-F511 AromaticContact CG-CG 3.89Å; Y507-F511 HydrophobicContact CG-CG 3.89Å; Y507-F511 HydrophobicContact CG-CZ 4.35Å; S508-F511 WeakPolarHBondContact O-CB 3.44Å; S508-F511 PolarHBondContact O-N 3.29Å; F511-F513 VanDerWaalsContact C-N 3.26Å; F511-F513 PolarHBondContact O-N 3.5Å; F511-F514 PolarHBondContact O-N 3.44Å; F511-F514 VanDerWaalsContact O-N 3.17Å; F511-I515 HydrophobicContact CD1-CD1 3.45Å; F511-I515 VanDerWaalsContact CD1-CD1 3.45Å; F511-I515 HydrophobicContact CD1-CG1 4.39Å; F511-I515 HydrophobicContact CE1-CD1 3.24Å; F511-I515 HydrophobicContact CE1-CG1 4.31Å; F511-I515 HydrophobicContact CG-CD1 4.25Å; F511-I515 HydrophobicContact CZ-CD1 3.82Å; F511-I515 VanDerWaalsContact O-CG1 3.26Å; F511-I515 WeakPolarHBondContact O-CG1 3.48Å; F511-I515 PolarHBondContact O-N 2.85Å; F511-I515 VanDerWaalsContact O-N 3.08Å |
| 512 | L | 71 | Confident | 72.8 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.5 | -45.5 | 173.9 | -146.6 | 73.4 | 0 | 0 | 0 | 110.4 | L456 F460 C502 S508 N509 I510 F514 I515 F516 | L456-L512 HydrophobicContact CB-CD2 4.13Å; F460-L512 HydrophobicContact CB-CD2 4.42Å; F460-L512 HydrophobicContact CD1-CD2 4.44Å; F460-L512 HydrophobicContact CD1-CG 3.94Å; F460-L512 HydrophobicContact CD2-CB 4.47Å; F460-L512 HydrophobicContact CD2-CD2 3.11Å; F460-L512 HydrophobicContact CD2-CG 3.47Å; F460-L512 VanDerWaalsContact CD2-CG 3.47Å; F460-L512 HydrophobicContact CE1-CB 4.4Å; F460-L512 HydrophobicContact CE1-CG 3.81Å; F460-L512 WeakPolarHBondContact CE1-O 3.13Å; F460-L512 HydrophobicContact CE2-CB 3.93Å; F460-L512 HydrophobicContact CE2-CD2 3.31Å; F460-L512 HydrophobicContact CE2-CG 3.4Å; F460-L512 VanDerWaalsContact CE2-CG 3.4Å; F460-L512 HydrophobicContact CG-CD1 4.46Å; F460-L512 HydrophobicContact CG-CD2 3.76Å; F460-L512 HydrophobicContact CG-CG 3.76Å; F460-L512 HydrophobicContact CZ-CB 3.89Å; F460-L512 HydrophobicContact CZ-CD2 4.03Å; F460-L512 HydrophobicContact CZ-CG 3.57Å; F460-L512 WeakPolarHBondContact CZ-O 3.48Å; C502-L512 HydrophobicContact CB-CD1 3.99Å; C502-L512 VanDerWaalsContact SG-CD1 3.57Å; S508-L512 PolarHBondContact O-N 3.09Å; N509-L512 WeakPolarHBondContact O-CB 3.46Å; N509-L512 PolarHBondContact O-N 3.38Å; I510-L512 VanDerWaalsContact C-N 3.33Å; L512-F514 PolarHBondContact O-N 2.97Å; L512-I515 WeakPolarHBondContact O-CB 3.48Å; L512-I515 PolarHBondContact O-N 3.02Å; L512-F516 PolarHBondContact O-N 2.85Å |
| 513 | F | 74.5 | Confident | 72.5 | Confident | 123 Ų | 123 | 71.6 Ų | 71.6 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176.6 | -178.8 | -98 | 0 | 0 | 0 | 113.8 | N509 I510 F511 I515 F516 V517 | N509-F513 PolarHBondContact O-N 3.38Å; I510-F513 WeakPolarHBondContact O-CB 3.39Å; I510-F513 PolarHBondContact O-N 3.26Å; F511-F513 VanDerWaalsContact C-N 3.26Å; F511-F513 PolarHBondContact O-N 3.5Å; F513-I515 PolarHBondContact O-N 3.34Å; F513-F516 VanDerWaalsContact O-CB 3.24Å; F513-F516 WeakPolarHBondContact O-CB 3.34Å; F513-F516 PolarHBondContact O-N 3.09Å; F513-F516 VanDerWaalsContact O-N 3.15Å; F513-V517 HydrophobicContact CD1-CG2 4.28Å; F513-V517 HydrophobicContact CE1-CG2 3.81Å; F513-V517 HydrophobicContact CE2-CG2 4.37Å; F513-V517 HydrophobicContact CZ-CG2 3.85Å; F513-V517 WeakPolarHBondContact O-CG2 3.42Å; F513-V517 PolarHBondContact O-N 3.37Å; F513-V517 VanDerWaalsContact O-N 3.09Å |
| 514 | F | 73.2 | Confident | 72.4 | Confident | 133 Ų | 133 | 73 Ų | 73 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -37.9 | 175.7 | -81.6 | -71.9 | 0 | 0 | 0 | 112.3 | I510 F511 L512 F516 V517 L518 | I510-F514 HydrophobicContact CG2-CD2 3.97Å; I510-F514 HydrophobicContact CG2-CE2 3.69Å; I510-F514 VanDerWaalsContact O-CD2 3.27Å; I510-F514 WeakPolarHBondContact O-CD2 3.46Å; I510-F514 PolarHBondContact O-N 2.79Å; I510-F514 VanDerWaalsContact O-N 3.09Å; F511-F514 PolarHBondContact O-N 3.44Å; F511-F514 VanDerWaalsContact O-N 3.17Å; L512-F514 PolarHBondContact O-N 2.97Å; F514-F516 VanDerWaalsContact C-N 3.35Å; F514-V517 PolarHBondContact O-N 3.43Å; F514-L518 WeakPolarHBondContact O-CB 3.23Å; F514-L518 PolarHBondContact O-N 3.42Å |
| 515 | I | 71.7 | Confident | 72.1 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 175.7 | -64.9 | 177.5 | 0 | 0 | 0 | 110.5 | L498 C502 F511 L512 F513 V517 L518 L519 | L498-I515 HydrophobicContact CD1-CD1 3.34Å; L498-I515 HydrophobicContact CD1-CG1 3.55Å; L498-I515 HydrophobicContact CD2-CB 4.03Å; L498-I515 HydrophobicContact CD2-CD1 4.25Å; L498-I515 HydrophobicContact CD2-CG1 3.67Å; L498-I515 HydrophobicContact CD2-CG2 3.66Å; L498-I515 HydrophobicContact CG-CB 4.11Å; L498-I515 HydrophobicContact CG-CD1 3.48Å; L498-I515 VanDerWaalsContact CG-CD1 3.48Å; L498-I515 HydrophobicContact CG-CG1 3.48Å; L498-I515 VanDerWaalsContact CG-CG1 3.48Å; L498-I515 HydrophobicContact CG-CG2 3.67Å; C502-I515 WeakPolarHBondContact SG-CD1 2.99Å; F511-I515 HydrophobicContact CD1-CD1 3.45Å; F511-I515 VanDerWaalsContact CD1-CD1 3.45Å; F511-I515 HydrophobicContact CD1-CG1 4.39Å; F511-I515 HydrophobicContact CE1-CD1 3.24Å; F511-I515 HydrophobicContact CE1-CG1 4.31Å; F511-I515 HydrophobicContact CG-CD1 4.25Å; F511-I515 HydrophobicContact CZ-CD1 3.82Å; F511-I515 VanDerWaalsContact O-CG1 3.26Å; F511-I515 WeakPolarHBondContact O-CG1 3.48Å; F511-I515 PolarHBondContact O-N 2.85Å; F511-I515 VanDerWaalsContact O-N 3.08Å; L512-I515 WeakPolarHBondContact O-CB 3.48Å; L512-I515 PolarHBondContact O-N 3.02Å; F513-I515 PolarHBondContact O-N 3.34Å; I515-V517 PolarHBondContact O-N 2.91Å; I515-L518 PolarHBondContact O-N 3.06Å; I515-L519 HydrophobicContact CG2-CD1 3.68Å; I515-L519 HydrophobicContact CG2-CG 4.14Å; I515-L519 WeakPolarHBondContact O-CB 3.48Å; I515-L519 WeakPolarHBondContact O-CG 3.33Å; I515-L519 PolarHBondContact O-N 3.41Å |
| 516 | F | 73.9 | Confident | 72.3 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.6 | -53.7 | 174.5 | -175.7 | -108.4 | 0 | 0 | 0 | 111.7 | F459 F460 F463 L512 F513 F514 L518 L519 F520 | F459-F516 AromaticContact CE1-CD2 3.98Å; F459-F516 HydrophobicContact CE1-CD2 3.98Å; F459-F516 AromaticContact CE1-CE2 3.52Å; F459-F516 HydrophobicContact CE1-CE2 3.52Å; F459-F516 HydrophobicContact CE1-CZ 4.04Å; F459-F516 AromaticContact CZ-CE2 3.84Å; F459-F516 HydrophobicContact CZ-CE2 3.84Å; F459-F516 HydrophobicContact CZ-CZ 4.06Å; F460-F516 HydrophobicContact CD1-CB 4.48Å; F460-F516 HydrophobicContact CE1-CB 3.38Å; F460-F516 HydrophobicContact CE1-CD2 4.07Å; F460-F516 HydrophobicContact CE1-CG 4.16Å; F460-F516 HydrophobicContact CZ-CB 3.59Å; F460-F516 HydrophobicContact CZ-CD2 4.44Å; F460-F516 HydrophobicContact CZ-CG 4.31Å; F463-F516 HydrophobicContact CB-CE2 4.27Å; F463-F516 AromaticContact CD1-CD2 3.87Å; F463-F516 HydrophobicContact CD1-CD2 3.87Å; F463-F516 AromaticContact CD1-CE2 3.89Å; F463-F516 HydrophobicContact CD1-CE2 3.89Å; F463-F516 HydrophobicContact CD2-CD2 4.32Å; F463-F516 AromaticContact CD2-CE2 3.51Å; F463-F516 HydrophobicContact CD2-CE2 3.51Å; F463-F516 HydrophobicContact CD2-CZ 4.27Å; F463-F516 HydrophobicContact CE1-CD2 4.06Å; F463-F516 HydrophobicContact CE1-CE2 4.08Å; F463-F516 HydrophobicContact CE2-CD2 4.49Å; F463-F516 AromaticContact CE2-CE2 3.72Å; F463-F516 HydrophobicContact CE2-CE2 3.72Å; F463-F516 HydrophobicContact CE2-CZ 4.19Å; F463-F516 HydrophobicContact CG-CD2 4Å; F463-F516 AromaticContact CG-CE2 3.6Å; F463-F516 HydrophobicContact CG-CE2 3.6Å; F463-F516 HydrophobicContact CZ-CD2 4.37Å; F463-F516 HydrophobicContact CZ-CE2 4Å; L512-F516 PolarHBondContact O-N 2.85Å; F513-F516 VanDerWaalsContact O-CB 3.24Å; F513-F516 WeakPolarHBondContact O-CB 3.34Å; F513-F516 PolarHBondContact O-N 3.09Å; F513-F516 VanDerWaalsContact O-N 3.15Å; F514-F516 VanDerWaalsContact C-N 3.35Å; F516-L518 PolarHBondContact O-N 2.96Å; F516-L519 PolarHBondContact O-N 2.81Å; F516-F520 VanDerWaalsContact O-CB 3.3Å; F516-F520 WeakPolarHBondContact O-CB 3.2Å; F516-F520 PolarHBondContact O-N 3.16Å |
| 517 | V | 77.4 | Confident | 72.7 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | -176.2 | 173 | 0 | 0 | 0 | 0 | 110.2 | F513 F514 I515 F520 I521 | F513-V517 HydrophobicContact CD1-CG2 4.28Å; F513-V517 HydrophobicContact CE1-CG2 3.81Å; F513-V517 HydrophobicContact CE2-CG2 4.37Å; F513-V517 HydrophobicContact CZ-CG2 3.85Å; F513-V517 WeakPolarHBondContact O-CG2 3.42Å; F513-V517 PolarHBondContact O-N 3.37Å; F513-V517 VanDerWaalsContact O-N 3.09Å; F514-V517 PolarHBondContact O-N 3.43Å; I515-V517 PolarHBondContact O-N 2.91Å; V517-F520 PolarHBondContact O-N 2.69Å; V517-I521 HydrophobicContact CG1-CD1 3.8Å; V517-I521 WeakPolarHBondContact O-CB 3.48Å; V517-I521 WeakPolarHBondContact O-CD1 3.49Å; V517-I521 WeakPolarHBondContact O-CG1 3.38Å; V517-I521 PolarHBondContact O-N 3.44Å |
| 518 | L | 73.8 | Confident | 73 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | -179.8 | -174 | 54.3 | 0 | 0 | 0 | 113.1 | F494 L498 F514 I515 F516 I521 S522 | F494-L518 HydrophobicContact CD1-CD2 4.36Å; F494-L518 HydrophobicContact CE1-CD1 4.21Å; F494-L518 HydrophobicContact CE1-CD2 3.18Å; F494-L518 HydrophobicContact CE1-CG 3.74Å; F494-L518 HydrophobicContact CZ-CD2 3.55Å; L498-L518 HydrophobicContact CD2-CD2 3.85Å; F514-L518 WeakPolarHBondContact O-CB 3.23Å; F514-L518 PolarHBondContact O-N 3.42Å; I515-L518 PolarHBondContact O-N 3.06Å; F516-L518 PolarHBondContact O-N 2.96Å; L518-I521 PolarHBondContact O-N 3.34Å; L518-S522 WeakPolarHBondContact O-CB 3.25Å; L518-S522 PolarHBondContact O-N 3.31Å |
| 519 | L | 73.9 | Confident | 73.1 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 173.8 | -66 | 170 | 0 | 0 | 0 | 111.6 | F463 L464 T495 I515 F516 S522 L523 | F463-L519 HydrophobicContact CD1-CD1 4.36Å; F463-L519 HydrophobicContact CE1-CB 3.6Å; F463-L519 HydrophobicContact CE1-CD1 4.19Å; F463-L519 HydrophobicContact CZ-CB 4.38Å; L464-L519 HydrophobicContact CD2-CD1 3.52Å; L464-L519 HydrophobicContact CD2-CD2 4.34Å; L464-L519 HydrophobicContact CG-CD1 4.32Å; T495-L519 VanDerWaalsContact CB-CD2 3.41Å; T495-L519 HydrophobicContact CG2-CD2 3.16Å; I515-L519 HydrophobicContact CG2-CD1 3.68Å; I515-L519 HydrophobicContact CG2-CG 4.14Å; I515-L519 WeakPolarHBondContact O-CB 3.48Å; I515-L519 WeakPolarHBondContact O-CG 3.33Å; I515-L519 PolarHBondContact O-N 3.41Å; F516-L519 PolarHBondContact O-N 2.81Å; L519-S522 WeakPolarHBondContact O-CB 3.31Å; L519-S522 PolarHBondContact O-N 2.96Å; L519-L523 WeakPolarHBondContact O-CB 3.23Å; L519-L523 PolarHBondContact O-N 2.94Å |
| 520 | F | 77.4 | Confident | 72.8 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.3 | -176.2 | -98.8 | 0 | 0 | 0 | 111.7 | F463 F516 V517 S522 L523 L524 | F463-F520 HydrophobicContact CE2-CD2 4.28Å; F463-F520 HydrophobicContact CZ-CB 4.15Å; F463-F520 HydrophobicContact CZ-CD2 4.33Å; F516-F520 VanDerWaalsContact O-CB 3.3Å; F516-F520 WeakPolarHBondContact O-CB 3.2Å; F516-F520 PolarHBondContact O-N 3.16Å; V517-F520 PolarHBondContact O-N 2.69Å; F520-S522 VanDerWaalsContact C-N 3.31Å; F520-S522 PolarHBondContact O-N 3.29Å; F520-L523 PolarHBondContact O-N 3.27Å; F520-L524 WeakPolarHBondContact O-CB 3.33Å; F520-L524 PolarHBondContact O-N 3.09Å |
| 521 | I | 76.4 | Confident | 72.7 | Confident | 96 Ų | 96 | 58 Ų | 58 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.9 | -69.2 | 164.8 | 0 | 0 | 0 | 110.5 | V517 L518 L524 Y525 | V517-I521 HydrophobicContact CG1-CD1 3.8Å; V517-I521 WeakPolarHBondContact O-CB 3.48Å; V517-I521 WeakPolarHBondContact O-CD1 3.49Å; V517-I521 WeakPolarHBondContact O-CG1 3.38Å; V517-I521 PolarHBondContact O-N 3.44Å; L518-I521 PolarHBondContact O-N 3.34Å; I521-L524 PolarHBondContact O-N 3.02Å; I521-Y525 WeakPolarHBondContact O-CB 3.43Å; I521-Y525 PolarHBondContact O-N 2.9Å |
| 522 | S | 72.6 | Confident | 72.3 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.6 | -178 | 0 | 0 | 0 | 0 | 112.2 | F491 L518 L519 F520 Y525 L526 | F491-S522 WeakPolarHBondContact CB-OG 3.5Å; F491-S522 WeakPolarHBondContact CD1-OG 3.49Å; F491-S522 WeakPolarHBondContact CG-OG 3.33Å; L518-S522 WeakPolarHBondContact O-CB 3.25Å; L518-S522 PolarHBondContact O-N 3.31Å; L519-S522 WeakPolarHBondContact O-CB 3.31Å; L519-S522 PolarHBondContact O-N 2.96Å; F520-S522 VanDerWaalsContact C-N 3.31Å; F520-S522 PolarHBondContact O-N 3.29Å; S522-Y525 PolarHBondContact O-N 3.36Å; S522-L526 PolarHBondContact O-N 3.38Å |
| 523 | L | 73.6 | Confident | 71.8 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 175.4 | -176 | 60.2 | 0 | 0 | 0 | 111.3 | F467 I470 L519 F520 Y525 L526 I527 | F467-L523 HydrophobicContact CD2-CB 3.74Å; F467-L523 HydrophobicContact CD2-CD1 3.72Å; F467-L523 HydrophobicContact CD2-CD2 4.37Å; F467-L523 HydrophobicContact CD2-CG 4.12Å; F467-L523 HydrophobicContact CE2-CB 3.79Å; F467-L523 HydrophobicContact CE2-CD1 4.03Å; F467-L523 HydrophobicContact CE2-CG 4.46Å; I470-L523 HydrophobicContact CB-CD1 4.25Å; I470-L523 HydrophobicContact CD1-CD1 4.27Å; I470-L523 HydrophobicContact CD1-CD2 4.3Å; I470-L523 HydrophobicContact CG2-CD1 3.9Å; L519-L523 WeakPolarHBondContact O-CB 3.23Å; L519-L523 PolarHBondContact O-N 2.94Å; F520-L523 PolarHBondContact O-N 3.27Å; L523-Y525 VanDerWaalsContact C-N 3.3Å; L523-Y525 PolarHBondContact O-N 3.43Å; L523-L526 WeakPolarHBondContact O-CB 3.23Å; L523-L526 PolarHBondContact O-N 3.24Å; L523-L526 VanDerWaalsContact O-N 3.17Å; L523-I527 HydrophobicContact CD1-CD1 4.1Å; L523-I527 HydrophobicContact CD1-CG1 4.41Å; L523-I527 HydrophobicContact CG-CD1 3.88Å; L523-I527 VanDerWaalsContact O-CG1 3.32Å; L523-I527 WeakPolarHBondContact O-CG1 3.29Å; L523-I527 PolarHBondContact O-N 3.03Å |
| 524 | L | 76.8 | Confident | 70.9 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 44% | 0.44 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 177.9 | -172.4 | 69.3 | 0 | 0 | 0 | 110.5 | F520 I521 L526 I527 L528 | F520-L524 WeakPolarHBondContact O-CB 3.33Å; F520-L524 PolarHBondContact O-N 3.09Å; I521-L524 PolarHBondContact O-N 3.02Å; L524-L526 PolarHBondContact O-N 3.32Å; L524-I527 PolarHBondContact O-N 3.29Å; L524-L528 HydrophobicContact CD1-CD1 4.49Å; L524-L528 HydrophobicContact CD2-CD1 4.41Å; L524-L528 HydrophobicContact CG-CD1 3.9Å; L524-L528 HydrophobicContact CG-CG 4.32Å; L524-L528 VanDerWaalsContact O-CB 3.28Å; L524-L528 WeakPolarHBondContact O-CB 3.4Å; L524-L528 WeakPolarHBondContact O-CG 3.33Å; L524-L528 PolarHBondContact O-N 2.89Å |
| 525 | Y | 73.2 | Confident | 70.1 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.5 | 179.4 | -94.9 | 0 | 0 | 0 | 112.2 | I487 F491 I521 S522 L523 I527 L528 T529 | I487-Y525 HydrophobicContact CG2-CD1 4.46Å; I487-Y525 HydrophobicContact CG2-CE1 3.51Å; F491-Y525 HydrophobicContact CD2-CD1 4.23Å; F491-Y525 HydrophobicContact CD2-CE1 4.46Å; F491-Y525 AromaticContact CE2-CD1 3.7Å; F491-Y525 HydrophobicContact CE2-CD1 3.7Å; F491-Y525 AromaticContact CE2-CE1 3.87Å; F491-Y525 HydrophobicContact CE2-CE1 3.87Å; F491-Y525 HydrophobicContact CE2-CG 4.39Å; F491-Y525 HydrophobicContact CZ-CD1 4.47Å; I521-Y525 WeakPolarHBondContact O-CB 3.43Å; I521-Y525 PolarHBondContact O-N 2.9Å; S522-Y525 PolarHBondContact O-N 3.36Å; L523-Y525 VanDerWaalsContact C-N 3.3Å; L523-Y525 PolarHBondContact O-N 3.43Å; Y525-I527 PolarHBondContact O-N 3.1Å; Y525-L528 PolarHBondContact O-N 3.39Å; Y525-T529 HydrophobicContact CD1-CG2 4.12Å; Y525-T529 HydrophobicContact CD2-CG2 4.34Å; Y525-T529 HydrophobicContact CE1-CG2 3.61Å; Y525-T529 HydrophobicContact CE2-CG2 3.87Å; Y525-T529 HydrophobicContact CG-CG2 4.46Å; Y525-T529 VanDerWaalsContact CZ-CG2 3.48Å; Y525-T529 WeakPolarHBondContact O-CB 3.48Å; Y525-T529 WeakPolarHBondContact O-CG2 3.48Å; Y525-T529 PolarHBondContact O-N 2.81Å; Y525-T529 PolarHBondContact O-OG1 3.32Å |
| 526 | L | 70.8 | Confident | 69.3 | Low | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.9 | -171.1 | 68.5 | 0 | 0 | 0 | 111.9 | T471 L474 Y480 S488 S522 L523 L524 T529 Y530 | T471-L526 HydrophobicContact CG2-CD2 4.05Å; L474-L526 HydrophobicContact CD1-CD2 3.84Å; L474-L526 HydrophobicContact CD1-CG 3.95Å; Y480-L526 HydrophobicContact CE1-CD1 3.98Å; Y480-L526 WeakPolarHBondContact OH-CD1 3.1Å; S488-L526 WeakPolarHBondContact OG-CD1 3.33Å; S522-L526 PolarHBondContact O-N 3.38Å; L523-L526 WeakPolarHBondContact O-CB 3.23Å; L523-L526 PolarHBondContact O-N 3.24Å; L523-L526 VanDerWaalsContact O-N 3.17Å; L524-L526 PolarHBondContact O-N 3.32Å; L526-T529 WeakPolarHBondContact CA-OG1 3.44Å; L526-T529 PolarHBondContact O-OG1 2.78Å; L526-Y530 VanDerWaalsContact O-CB 3.29Å; L526-Y530 WeakPolarHBondContact O-CB 3.49Å; L526-Y530 PolarHBondContact O-N 2.84Å |
| 527 | I | 71.8 | Confident | 68.4 | Low | 78 Ų | 78 | 68.2 Ų | 68.2 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 177.2 | -67.2 | 168.4 | 0 | 0 | 0 | 110.6 | L523 L524 Y525 Y530 H531 | L523-I527 HydrophobicContact CD1-CD1 4.1Å; L523-I527 HydrophobicContact CD1-CG1 4.41Å; L523-I527 HydrophobicContact CG-CD1 3.88Å; L523-I527 VanDerWaalsContact O-CG1 3.32Å; L523-I527 WeakPolarHBondContact O-CG1 3.29Å; L523-I527 PolarHBondContact O-N 3.03Å; L524-I527 PolarHBondContact O-N 3.29Å; Y525-I527 PolarHBondContact O-N 3.1Å; I527-Y530 WeakPolarHBondContact O-CB 3.27Å; I527-Y530 PolarHBondContact O-N 3.08Å; I527-H531 WeakPolarHBondContact O-CB 3.4Å; I527-H531 PolarHBondContact O-N 3.31Å |
| 528 | L | 71.9 | Confident | 67.6 | Low | 98 Ų | 98 | 70.7 Ų | 70.7 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 179.2 | -73.9 | 173.3 | 0 | 0 | 0 | 112 | L524 Y525 Y530 H531 H532 | L524-L528 HydrophobicContact CD1-CD1 4.49Å; L524-L528 HydrophobicContact CD2-CD1 4.41Å; L524-L528 HydrophobicContact CG-CD1 3.9Å; L524-L528 HydrophobicContact CG-CG 4.32Å; L524-L528 VanDerWaalsContact O-CB 3.28Å; L524-L528 WeakPolarHBondContact O-CB 3.4Å; L524-L528 WeakPolarHBondContact O-CG 3.33Å; L524-L528 PolarHBondContact O-N 2.89Å; Y525-L528 PolarHBondContact O-N 3.39Å; L528-Y530 VanDerWaalsContact C-N 3.32Å; L528-H531 PolarHBondContact O-N 3.22Å; L528-H532 VanDerWaalsContact O-CB 3.27Å; L528-H532 WeakPolarHBondContact O-CB 3.48Å; L528-H532 PolarHBondContact O-N 2.87Å |
| 529 | T | 67.5 | Low | 67.1 | Low | 19 Ų | 19 | 70.2 Ų | 70.2 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173 | 46 | 0 | 0 | 0 | 0 | 111 | Y525 L526 H532 S533 | Y525-T529 HydrophobicContact CD1-CG2 4.12Å; Y525-T529 HydrophobicContact CD2-CG2 4.34Å; Y525-T529 HydrophobicContact CE1-CG2 3.61Å; Y525-T529 HydrophobicContact CE2-CG2 3.87Å; Y525-T529 HydrophobicContact CG-CG2 4.46Å; Y525-T529 VanDerWaalsContact CZ-CG2 3.48Å; Y525-T529 WeakPolarHBondContact O-CB 3.48Å; Y525-T529 WeakPolarHBondContact O-CG2 3.48Å; Y525-T529 PolarHBondContact O-N 2.81Å; Y525-T529 PolarHBondContact O-OG1 3.32Å; L526-T529 WeakPolarHBondContact CA-OG1 3.44Å; L526-T529 PolarHBondContact O-OG1 2.78Å; T529-H532 PolarHBondContact O-N 3.08Å; T529-S533 VanDerWaalsContact O-CB 3.3Å; T529-S533 WeakPolarHBondContact O-CB 3.18Å; T529-S533 PolarHBondContact O-N 2.93Å; T529-S533 PolarHBondContact O-OG 3.02Å |
| 530 | Y | 65.6 | Low | 66.5 | Low | 15 Ų | 15 | 73.3 Ų | 73.3 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 172.8 | -171.5 | -89.3 | 0 | 0 | 0 | 112.4 | L474 V479 L526 I527 L528 I537 | L474-Y530 HydrophobicContact CB-CD2 4.39Å; L474-Y530 HydrophobicContact CD2-CD1 4.16Å; L474-Y530 HydrophobicContact CD2-CD2 3.65Å; L474-Y530 HydrophobicContact CD2-CE1 4.2Å; L474-Y530 HydrophobicContact CD2-CE2 3.64Å; L474-Y530 HydrophobicContact CD2-CG 3.91Å; L474-Y530 HydrophobicContact CG-CD2 4.45Å; V479-Y530 HydrophobicContact CB-CD2 3.89Å; V479-Y530 HydrophobicContact CB-CE2 3.54Å; V479-Y530 HydrophobicContact CG1-CD2 3.51Å; V479-Y530 HydrophobicContact CG1-CE2 3.51Å; V479-Y530 HydrophobicContact CG1-CG 4.27Å; V479-Y530 HydrophobicContact CG2-CD2 4.27Å; V479-Y530 HydrophobicContact CG2-CE2 3.43Å; V479-Y530 VanDerWaalsContact CG2-CE2 3.43Å; L526-Y530 VanDerWaalsContact O-CB 3.29Å; L526-Y530 WeakPolarHBondContact O-CB 3.49Å; L526-Y530 PolarHBondContact O-N 2.84Å; I527-Y530 WeakPolarHBondContact O-CB 3.27Å; I527-Y530 PolarHBondContact O-N 3.08Å; L528-Y530 VanDerWaalsContact C-N 3.32Å; Y530-I537 HydrophobicContact CE1-CG2 4.31Å; Y530-I537 WeakPolarHBondContact OH-CG2 3.44Å |
| 531 | H | 67.6 | Low | 65.8 | Low | 101 Ų | 101 | 70.7 Ų | 70.7 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.2 | -174.6 | 75.7 | 0 | 0 | 0 | 112.1 | I527 L528 | I527-H531 WeakPolarHBondContact O-CB 3.4Å; I527-H531 PolarHBondContact O-N 3.31Å; L528-H531 PolarHBondContact O-N 3.22Å |
| 532 | H | 63.7 | Low | 65.3 | Low | 163 Ų | 163 | 70 Ų | 70 | 76% | 0.755 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.6 | -42.4 | -179.6 | -176 | -78.6 | 0 | 0 | 0 | 111.9 | L528 T529 S534 | L528-H532 VanDerWaalsContact O-CB 3.27Å; L528-H532 WeakPolarHBondContact O-CB 3.48Å; L528-H532 PolarHBondContact O-N 2.87Å; T529-H532 PolarHBondContact O-N 3.08Å; H532-S534 PolarHBondContact O-N 3.27Å; H532-S534 VanDerWaalsContact O-N 3.11Å |
| 533 | S | 60.5 | Low | 65 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.3 | -12.4 | -173.2 | -72.1 | 0 | 0 | 0 | 0 | 114.1 | D484 T529 | D484-S533 PolarHBondContact OD2-OG 2.83Å; T529-S533 VanDerWaalsContact O-CB 3.3Å; T529-S533 WeakPolarHBondContact O-CB 3.18Å; T529-S533 PolarHBondContact O-N 2.93Å; T529-S533 PolarHBondContact O-OG 3.02Å |
| 534 | S | 55.7 | Low | 64.7 | Low | 43 Ų | 43 | 77.1 Ų | 77.1 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | trans | -177.5 | 119.7 | 157.7 | -78.4 | 0 | 0 | 0 | 0 | 114.1 | H532 L536 I537 F538 | H532-S534 PolarHBondContact O-N 3.27Å; H532-S534 VanDerWaalsContact O-N 3.11Å; S534-L536 PolarHBondContact O-N 2.95Å; S534-I537 VanDerWaalsContact CB-CD1 3.42Å; S534-I537 PolarHBondContact O-N 2.94Å; S534-I537 WeakPolarHBondContact OG-CD1 3.36Å; S534-F538 PolarHBondContact O-N 3.04Å | ||
| 535 | K | 57.1 | Low | 64.3 | Low | 177 Ų | 177 | 77.1 Ų | 77.1 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -55.3 | -31.6 | 161.7 | -75.6 | -175.3 | 177.6 | 179.7 | 0 | 112.7 | I537 | K535-I537 VanDerWaalsContact C-N 3.28Å; K535-I537 PolarHBondContact O-N 2.73Å |
| 536 | L | 54.4 | Low | 64 | Low | 136 Ų | 136 | 77.6 Ų | 77.6 | 71% | 0.712 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.8 | -32.3 | 175.6 | -118.1 | 111.1 | 0 | 0 | 0 | 112.6 | S534 S539 D540 | S534-L536 PolarHBondContact O-N 2.95Å; L536-S539 WeakPolarHBondContact O-CB 3.49Å; L536-D540 PolarHBondContact O-N 2.89Å; L536-D540 VanDerWaalsContact O-N 3.07Å |
| 537 | I | 54.9 | Low | 63.8 | Low | 36 Ų | 36 | 83 Ų | 83 | 19% | 0.185 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -82.3 | -33.9 | -174.6 | -68.1 | 175 | 0 | 0 | 0 | 111.6 | V479 Y530 S534 K535 S539 D540 L541 | V479-I537 HydrophobicContact CB-CD1 4.46Å; V479-I537 HydrophobicContact CG1-CD1 3.91Å; V479-I537 HydrophobicContact CG1-CG2 4.19Å; V479-I537 HydrophobicContact CG2-CD1 4.1Å; V479-I537 HydrophobicContact CG2-CG2 3.58Å; Y530-I537 HydrophobicContact CE1-CG2 4.31Å; Y530-I537 WeakPolarHBondContact OH-CG2 3.44Å; S534-I537 VanDerWaalsContact CB-CD1 3.42Å; S534-I537 PolarHBondContact O-N 2.94Å; S534-I537 WeakPolarHBondContact OG-CD1 3.36Å; K535-I537 VanDerWaalsContact C-N 3.28Å; K535-I537 PolarHBondContact O-N 2.73Å; I537-S539 VanDerWaalsContact C-N 3.25Å; I537-S539 PolarHBondContact O-N 2.85Å; I537-D540 CarbonylContact O-C 3.57Å; I537-D540 PolarHBondContact O-N 3.14Å; I537-D540 VanDerWaalsContact O-N 3.11Å; I537-L541 WeakPolarHBondContact O-CB 3.35Å; I537-L541 PolarHBondContact O-N 3.27Å |
| 538 | F | 61.1 | Low | 63.9 | Low | 105 Ų | 105 | 80 Ų | 80 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 172.1 | -176.2 | -98.7 | 0 | 0 | 0 | 110.8 | S534 L541 L542 | S534-F538 PolarHBondContact O-N 3.04Å; F538-L541 PolarHBondContact O-N 3.03Å; F538-L542 WeakPolarHBondContact O-CB 3.42Å; F538-L542 PolarHBondContact O-N 3.2Å |
| 539 | S | 63.1 | Low | 64.4 | Low | 58 Ų | 58 | 79.9 Ų | 79.9 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 169.4 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | L536 I537 L541 L542 N543 | L536-S539 WeakPolarHBondContact O-CB 3.49Å; I537-S539 VanDerWaalsContact C-N 3.25Å; I537-S539 PolarHBondContact O-N 2.85Å; S539-L541 PolarHBondContact O-N 3.07Å; S539-L542 PolarHBondContact O-N 2.91Å; S539-N543 VanDerWaalsContact O-CB 3.32Å; S539-N543 WeakPolarHBondContact O-CB 3.49Å; S539-N543 PolarHBondContact O-N 3.33Å; S539-N543 PolarHBondContact O-ND2 2.91Å; S539-N543 VanDerWaalsContact O-ND2 3.1Å; S539-N543 PolarHBondContact OG-ND2 2.82Å |
| 540 | D | 61.6 | Low | 65 | Low | 70 Ų | 70 | 82.6 Ų | 82.6 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.8 | -76.6 | -10 | 0 | 0 | 0 | 113.6 | L536 I537 R544 | L536-D540 PolarHBondContact O-N 2.89Å; L536-D540 VanDerWaalsContact O-N 3.07Å; I537-D540 CarbonylContact O-C 3.57Å; I537-D540 PolarHBondContact O-N 3.14Å; I537-D540 VanDerWaalsContact O-N 3.11Å; D540-R544 WeakPolarHBondContact O-CB 3.47Å; D540-R544 VanDerWaalsContact O-CG 3.23Å; D540-R544 WeakPolarHBondContact O-CG 3.34Å; D540-R544 PolarHBondContact O-N 3.39Å |
| 541 | L | 62.8 | Low | 65.8 | Low | 49 Ų | 49 | 81.9 Ų | 81.9 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 175.7 | -174.1 | 95 | 0 | 0 | 0 | 110 | E477 I537 F538 S539 N543 R544 F545 | E477-L541 HydrophobicContact CG-CD1 3.94Å; I537-L541 WeakPolarHBondContact O-CB 3.35Å; I537-L541 PolarHBondContact O-N 3.27Å; F538-L541 PolarHBondContact O-N 3.03Å; S539-L541 PolarHBondContact O-N 3.07Å; L541-N543 VanDerWaalsContact C-N 3.34Å; L541-N543 PolarHBondContact O-N 3.07Å; L541-R544 PolarHBondContact O-N 3.39Å; L541-F545 WeakPolarHBondContact O-CB 3.2Å; L541-F545 PolarHBondContact O-N 2.83Å |
| 542 | L | 65.6 | Low | 66.7 | Low | 82 Ų | 82 | 78.9 Ų | 78.9 | 43% | 0.429 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 178 | -164.8 | 77.2 | 0 | 0 | 0 | 111.1 | F538 S539 F545 N546 | F538-L542 WeakPolarHBondContact O-CB 3.42Å; F538-L542 PolarHBondContact O-N 3.2Å; S539-L542 PolarHBondContact O-N 2.91Å; L542-F545 PolarHBondContact O-N 3.22Å; L542-N546 WeakPolarHBondContact O-CB 3.29Å; L542-N546 PolarHBondContact O-N 2.98Å; L542-N546 PolarHBondContact O-ND2 2.9Å |
| 543 | N | 65.9 | Low | 68 | Low | 75 Ų | 75 | 74.4 Ų | 74.4 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.9 | -69.3 | -26.5 | 0 | 0 | 0 | 111.2 | S539 L541 F545 N546 D547 | S539-N543 VanDerWaalsContact O-CB 3.32Å; S539-N543 WeakPolarHBondContact O-CB 3.49Å; S539-N543 PolarHBondContact O-N 3.33Å; S539-N543 PolarHBondContact O-ND2 2.91Å; S539-N543 VanDerWaalsContact O-ND2 3.1Å; S539-N543 PolarHBondContact OG-ND2 2.82Å; L541-N543 VanDerWaalsContact C-N 3.34Å; L541-N543 PolarHBondContact O-N 3.07Å; N543-F545 VanDerWaalsContact C-N 3.33Å; N543-F545 PolarHBondContact O-N 3.3Å; N543-N546 PolarHBondContact O-N 3.1Å; N543-D547 WeakPolarHBondContact O-CB 3.38Å; N543-D547 PolarHBondContact O-N 3.19Å |
| 544 | R | 66.4 | Low | 69.3 | Low | 97 Ų | 97 | 73.2 Ų | 73.2 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 174.3 | -72.8 | 173.1 | -158.4 | -108.1 | 1.8 | 112.1 | E477 D540 L541 D547 N548 | E477-R544 IonicContact OE2-CZ 3.06Å; E477-R544 IonicContact OE2-NE 3.56Å; E477-R544 IonicContact OE2-NH1 3.05Å; D540-R544 WeakPolarHBondContact O-CB 3.47Å; D540-R544 VanDerWaalsContact O-CG 3.23Å; D540-R544 WeakPolarHBondContact O-CG 3.34Å; D540-R544 PolarHBondContact O-N 3.39Å; L541-R544 PolarHBondContact O-N 3.39Å; R544-D547 PolarHBondContact O-N 3.38Å; R544-N548 WeakPolarHBondContact O-CB 3.18Å; R544-N548 PolarHBondContact O-N 3.01Å; R544-N548 PolarHBondContact O-ND2 2.71Å |
| 545 | F | 68.3 | Low | 71 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 175.7 | -175 | -100.4 | 0 | 0 | 0 | 110.1 | L541 L542 N543 N548 F549 F552 | L541-F545 WeakPolarHBondContact O-CB 3.2Å; L541-F545 PolarHBondContact O-N 2.83Å; L542-F545 PolarHBondContact O-N 3.22Å; N543-F545 VanDerWaalsContact C-N 3.33Å; N543-F545 PolarHBondContact O-N 3.3Å; F545-N548 CarbonylContact O-C 3.34Å; F545-N548 VanDerWaalsContact O-C 3.26Å; F545-N548 PolarHBondContact O-N 3.49Å; F545-N548 VanDerWaalsContact O-N 3.15Å; F545-F549 HydrophobicContact CD1-CD2 4.17Å; F545-F549 AromaticContact CE1-CD2 3.47Å; F545-F549 HydrophobicContact CE1-CD2 3.47Å; F545-F549 VanDerWaalsContact CE1-CD2 3.47Å; F545-F549 AromaticContact CE1-CE2 3.96Å; F545-F549 HydrophobicContact CE1-CE2 3.96Å; F545-F549 AromaticContact CZ-CD2 3.92Å; F545-F549 HydrophobicContact CZ-CD2 3.92Å; F545-F549 HydrophobicContact CZ-CE2 4.31Å; F545-F549 WeakPolarHBondContact O-CA 3.25Å; F545-F549 WeakPolarHBondContact O-CB 3.15Å; F545-F549 PolarHBondContact O-N 3.42Å; F545-F552 AromaticContact CD2-CD2 3.49Å; F545-F552 HydrophobicContact CD2-CD2 3.49Å; F545-F552 VanDerWaalsContact CD2-CD2 3.49Å; F545-F552 AromaticContact CD2-CE2 3.78Å; F545-F552 HydrophobicContact CD2-CE2 3.78Å; F545-F552 HydrophobicContact CD2-CG 4.09Å; F545-F552 HydrophobicContact CE2-CB 3.75Å; F545-F552 HydrophobicContact CE2-CD1 4.48Å; F545-F552 AromaticContact CE2-CD2 3.56Å; F545-F552 HydrophobicContact CE2-CD2 3.56Å; F545-F552 HydrophobicContact CE2-CE2 4.25Å; F545-F552 AromaticContact CE2-CG 3.7Å; F545-F552 HydrophobicContact CE2-CG 3.7Å; F545-F552 HydrophobicContact CG-CD2 4.48Å; F545-F552 HydrophobicContact CZ-CB 4.29Å |
| 546 | N | 67.8 | Low | 72.7 | Confident | 94 Ų | 94 | 68.9 Ų | 68.9 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.7 | -71.5 | -14.8 | 0 | 0 | 0 | 111.5 | L542 N543 N548 F549 | L542-N546 WeakPolarHBondContact O-CB 3.29Å; L542-N546 PolarHBondContact O-N 2.98Å; L542-N546 PolarHBondContact O-ND2 2.9Å; N543-N546 PolarHBondContact O-N 3.1Å; N546-N548 PolarHBondContact O-N 2.99Å; N546-F549 WeakPolarHBondContact O-CB 3.27Å; N546-F549 PolarHBondContact O-N 3.32Å |
| 547 | D | 66.2 | Low | 74.6 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 66% | 0.658 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.7 | -26.7 | 177 | -69.1 | -14.1 | 0 | 0 | 0 | 112.8 | N543 R544 | N543-D547 WeakPolarHBondContact O-CB 3.38Å; N543-D547 PolarHBondContact O-N 3.19Å; R544-D547 PolarHBondContact O-N 3.38Å |
| 548 | N | 74.8 | Confident | 76.5 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 15.6 | -177.7 | -60.9 | -89.7 | 0 | 0 | 0 | 112.6 | R544 F545 N546 I550 G551 F552 W881 I882 | R544-N548 WeakPolarHBondContact O-CB 3.18Å; R544-N548 PolarHBondContact O-N 3.01Å; R544-N548 PolarHBondContact O-ND2 2.71Å; F545-N548 CarbonylContact O-C 3.34Å; F545-N548 VanDerWaalsContact O-C 3.26Å; F545-N548 PolarHBondContact O-N 3.49Å; F545-N548 VanDerWaalsContact O-N 3.15Å; N546-N548 PolarHBondContact O-N 2.99Å; N548-I550 VanDerWaalsContact C-N 3.3Å; N548-I550 PolarHBondContact O-N 3.35Å; N548-G551 PolarHBondContact O-N 3.43Å; N548-F552 HydrophobicContact CB-CD2 4.11Å; N548-F552 HydrophobicContact CB-CE2 3.89Å; N548-F552 WeakPolarHBondContact O-CD2 3.44Å; N548-F552 PolarHBondContact O-N 3Å; N548-W881 HydrophobicContact CB-CB 3.81Å; N548-W881 PolarHBondContact OD1-N 3.45Å; N548-W881 VanDerWaalsContact OD1-N 3.16Å; N548-I882 HydrophobicContact CB-CG1 4.13Å; N548-I882 WeakPolarHBondContact OD1-CG1 3.35Å; N548-I882 PolarHBondContact OD1-N 2.87Å |
| 549 | F | 82 | Confident | 78.1 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | -167.2 | 172.7 | -106.6 | 0 | 0 | 0 | 111.2 | F545 N546 G551 F552 L553 | F545-F549 HydrophobicContact CD1-CD2 4.17Å; F545-F549 AromaticContact CE1-CD2 3.47Å; F545-F549 HydrophobicContact CE1-CD2 3.47Å; F545-F549 VanDerWaalsContact CE1-CD2 3.47Å; F545-F549 AromaticContact CE1-CE2 3.96Å; F545-F549 HydrophobicContact CE1-CE2 3.96Å; F545-F549 AromaticContact CZ-CD2 3.92Å; F545-F549 HydrophobicContact CZ-CD2 3.92Å; F545-F549 HydrophobicContact CZ-CE2 4.31Å; F545-F549 WeakPolarHBondContact O-CA 3.25Å; F545-F549 WeakPolarHBondContact O-CB 3.15Å; F545-F549 PolarHBondContact O-N 3.42Å; N546-F549 WeakPolarHBondContact O-CB 3.27Å; N546-F549 PolarHBondContact O-N 3.32Å; F549-G551 VanDerWaalsContact C-N 3.3Å; F549-G551 PolarHBondContact O-N 3.19Å; F549-F552 PolarHBondContact O-N 3.34Å; F549-L553 HydrophobicContact CE1-CD2 4.05Å; F549-L553 HydrophobicContact CZ-CD2 4.43Å; F549-L553 VanDerWaalsContact O-CB 3.32Å; F549-L553 WeakPolarHBondContact O-CB 3.44Å; F549-L553 PolarHBondContact O-N 2.92Å |
| 550 | I | 80 | Confident | 79.6 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 179.2 | -62.8 | 173.4 | 0 | 0 | 0 | 110.9 | N548 L553 L554 L582 V585 | N548-I550 VanDerWaalsContact C-N 3.3Å; N548-I550 PolarHBondContact O-N 3.35Å; I550-L553 PolarHBondContact O-N 3.02Å; I550-L554 HydrophobicContact CG2-CD1 4.08Å; I550-L554 HydrophobicContact CG2-CG 4.4Å; I550-L554 VanDerWaalsContact O-CG 3.27Å; I550-L554 WeakPolarHBondContact O-CG 3.27Å; I550-L554 PolarHBondContact O-N 2.81Å; I550-L582 HydrophobicContact CG2-CD1 4.4Å; I550-V585 HydrophobicContact CD1-CG1 3.65Å; I550-V585 HydrophobicContact CD1-CG2 4.35Å; I550-V585 HydrophobicContact CG2-CG1 4.34Å; I550-V585 HydrophobicContact CG2-CG2 4.21Å |
| 551 | G | 81.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N548 F549 L553 L554 L555 | N548-G551 PolarHBondContact O-N 3.43Å; F549-G551 VanDerWaalsContact C-N 3.3Å; F549-G551 PolarHBondContact O-N 3.19Å; G551-L553 VanDerWaalsContact C-N 3.32Å; G551-L553 PolarHBondContact O-N 3.46Å; G551-L554 PolarHBondContact O-N 3.38Å; G551-L555 PolarHBondContact O-N 3Å |
| 552 | F | 87.4 | Confident | 82.7 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 177.6 | -71.8 | -65.7 | 0 | 0 | 0 | 112.5 | F545 N548 F549 L555 F556 W881 I885 | F545-F552 AromaticContact CD2-CD2 3.49Å; F545-F552 HydrophobicContact CD2-CD2 3.49Å; F545-F552 VanDerWaalsContact CD2-CD2 3.49Å; F545-F552 AromaticContact CD2-CE2 3.78Å; F545-F552 HydrophobicContact CD2-CE2 3.78Å; F545-F552 HydrophobicContact CD2-CG 4.09Å; F545-F552 HydrophobicContact CE2-CB 3.75Å; F545-F552 HydrophobicContact CE2-CD1 4.48Å; F545-F552 AromaticContact CE2-CD2 3.56Å; F545-F552 HydrophobicContact CE2-CD2 3.56Å; F545-F552 HydrophobicContact CE2-CE2 4.25Å; F545-F552 AromaticContact CE2-CG 3.7Å; F545-F552 HydrophobicContact CE2-CG 3.7Å; F545-F552 HydrophobicContact CG-CD2 4.48Å; F545-F552 HydrophobicContact CZ-CB 4.29Å; N548-F552 HydrophobicContact CB-CD2 4.11Å; N548-F552 HydrophobicContact CB-CE2 3.89Å; N548-F552 WeakPolarHBondContact O-CD2 3.44Å; N548-F552 PolarHBondContact O-N 3Å; F549-F552 PolarHBondContact O-N 3.34Å; F552-L555 PolarHBondContact O-N 3.41Å; F552-F556 VanDerWaalsContact O-CB 3.29Å; F552-F556 WeakPolarHBondContact O-CB 3.05Å; F552-F556 PolarHBondContact O-N 2.92Å; F552-W881 HydrophobicContact CE1-CD2 4.06Å; F552-W881 AromaticContact CE1-CE3 3.84Å; F552-W881 HydrophobicContact CE1-CE3 3.84Å; F552-W881 HydrophobicContact CE1-CG 4.49Å; F552-W881 HydrophobicContact CE1-CZ3 4.15Å; F552-W881 HydrophobicContact CE2-CB 4.12Å; F552-W881 HydrophobicContact CE2-CD2 4.36Å; F552-W881 HydrophobicContact CE2-CG 4.02Å; F552-W881 HydrophobicContact CZ-CB 3.98Å; F552-W881 AromaticContact CZ-CD1 3.99Å; F552-W881 AromaticContact CZ-CD2 3.46Å; F552-W881 HydrophobicContact CZ-CD2 3.46Å; F552-W881 VanDerWaalsContact CZ-CD2 3.46Å; F552-W881 AromaticContact CZ-CE2 3.84Å; F552-W881 AromaticContact CZ-CE3 3.75Å; F552-W881 HydrophobicContact CZ-CE3 3.75Å; F552-W881 AromaticContact CZ-CG 3.59Å; F552-W881 HydrophobicContact CZ-CG 3.59Å; F552-W881 HydrophobicContact CZ-CZ2 4.41Å; F552-W881 HydrophobicContact CZ-CZ3 4.31Å; F552-I885 HydrophobicContact CD1-CD1 4.04Å; F552-I885 HydrophobicContact CE1-CD1 4.31Å; F552-I885 HydrophobicContact CG-CD1 4.34Å |
| 553 | L | 89.9 | Confident | 84 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 175.8 | -179.9 | 64.5 | 0 | 0 | 0 | 111 | F549 I550 G551 F556 L557 | F549-L553 HydrophobicContact CE1-CD2 4.05Å; F549-L553 HydrophobicContact CZ-CD2 4.43Å; F549-L553 VanDerWaalsContact O-CB 3.32Å; F549-L553 WeakPolarHBondContact O-CB 3.44Å; F549-L553 PolarHBondContact O-N 2.92Å; I550-L553 PolarHBondContact O-N 3.02Å; G551-L553 VanDerWaalsContact C-N 3.32Å; G551-L553 PolarHBondContact O-N 3.46Å; L553-F556 PolarHBondContact O-N 3.42Å; L553-L557 HydrophobicContact CD1-CD1 4.43Å; L553-L557 HydrophobicContact CD1-CG 4.37Å; L553-L557 HydrophobicContact CG-CD1 4.07Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CB 3.4Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 2.88Å |
| 554 | L | 89.4 | Confident | 85.3 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 178.5 | -66 | 172.2 | 0 | 0 | 0 | 112.2 | I550 G551 F556 L557 L558 L578 L582 | I550-L554 HydrophobicContact CG2-CD1 4.08Å; I550-L554 HydrophobicContact CG2-CG 4.4Å; I550-L554 VanDerWaalsContact O-CG 3.27Å; I550-L554 WeakPolarHBondContact O-CG 3.27Å; I550-L554 PolarHBondContact O-N 2.81Å; G551-L554 PolarHBondContact O-N 3.38Å; L554-F556 VanDerWaalsContact C-N 3.34Å; L554-L557 HydrophobicContact CD2-CD1 4.43Å; L554-L557 PolarHBondContact O-N 3.32Å; L554-L558 PolarHBondContact O-N 3.26Å; L554-L578 HydrophobicContact CB-CD2 4.41Å; L554-L578 HydrophobicContact CD2-CB 4.47Å; L554-L578 HydrophobicContact CD2-CD2 3.48Å; L554-L578 VanDerWaalsContact CD2-CD2 3.48Å; L554-L582 HydrophobicContact CD1-CB 3.85Å; L554-L582 HydrophobicContact CD1-CD1 3.5Å; L554-L582 VanDerWaalsContact CD1-CD1 3.5Å; L554-L582 HydrophobicContact CD1-CG 4.27Å |
| 555 | L | 91.2 | Very high | 86.3 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.7 | -175.1 | 68.9 | 0 | 0 | 0 | 111.3 | G551 F552 L558 S559 I885 V995 L996 | G551-L555 PolarHBondContact O-N 3Å; F552-L555 PolarHBondContact O-N 3.41Å; L555-L558 PolarHBondContact O-N 3.32Å; L555-S559 WeakPolarHBondContact O-CB 3.35Å; L555-S559 PolarHBondContact O-N 3.43Å; L555-I885 HydrophobicContact CB-CG2 4.12Å; L555-I885 HydrophobicContact CD2-CG1 4.39Å; L555-V995 HydrophobicContact CD2-CB 3.92Å; L555-V995 HydrophobicContact CD2-CG1 3.9Å; L555-V995 HydrophobicContact CD2-CG2 4.12Å; L555-V995 HydrophobicContact CG-CB 4.36Å; L555-V995 HydrophobicContact CG-CG1 3.95Å; L555-L996 HydrophobicContact CD1-CD1 4.41Å; L555-L996 HydrophobicContact CD1-CD2 3.72Å; L555-L996 HydrophobicContact CD1-CG 3.92Å |
| 556 | F | 92.9 | Very high | 87.3 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 55% | 0.548 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 175.7 | 175.2 | -98.5 | 0 | 0 | 0 | 112 | F552 L553 L554 S559 S560 | F552-F556 VanDerWaalsContact O-CB 3.29Å; F552-F556 WeakPolarHBondContact O-CB 3.05Å; F552-F556 PolarHBondContact O-N 2.92Å; L553-F556 PolarHBondContact O-N 3.42Å; L554-F556 VanDerWaalsContact C-N 3.34Å; F556-S559 PolarHBondContact O-N 2.97Å; F556-S560 WeakPolarHBondContact CE1-OG 3.36Å; F556-S560 WeakPolarHBondContact CZ-OG 3.29Å; F556-S560 VanDerWaalsContact O-CB 3.27Å; F556-S560 WeakPolarHBondContact O-CB 3.37Å; F556-S560 PolarHBondContact O-N 3.3Å; F556-S560 PolarHBondContact O-OG 3.49Å |
| 557 | L | 93.6 | Very high | 88.3 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176 | -74.9 | 171.6 | 0 | 0 | 0 | 111.5 | L553 L554 S560 S561 L578 | L553-L557 HydrophobicContact CD1-CD1 4.43Å; L553-L557 HydrophobicContact CD1-CG 4.37Å; L553-L557 HydrophobicContact CG-CD1 4.07Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CB 3.4Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 2.88Å; L554-L557 HydrophobicContact CD2-CD1 4.43Å; L554-L557 PolarHBondContact O-N 3.32Å; L557-S560 PolarHBondContact O-N 3.3Å; L557-S561 WeakPolarHBondContact O-CB 3.37Å; L557-S561 PolarHBondContact O-N 2.97Å; L557-L578 HydrophobicContact CB-CD2 4.43Å |
| 558 | L | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 173.7 | -176.4 | 57.6 | 0 | 0 | 0 | 111.1 | L554 L555 S560 S561 Y562 V574 L578 L889 L996 | L554-L558 PolarHBondContact O-N 3.26Å; L555-L558 PolarHBondContact O-N 3.32Å; L558-S560 VanDerWaalsContact C-N 3.29Å; L558-S560 PolarHBondContact O-N 2.98Å; L558-S561 WeakPolarHBondContact O-CB 3.46Å; L558-S561 PolarHBondContact O-N 3.09Å; L558-S561 VanDerWaalsContact O-N 3.08Å; L558-S561 PolarHBondContact O-OG 3.24Å; L558-Y562 HydrophobicContact CD1-CE1 3.88Å; L558-Y562 HydrophobicContact CG-CE1 4.11Å; L558-Y562 WeakPolarHBondContact CG-OH 3.37Å; L558-Y562 WeakPolarHBondContact O-CD1 3.49Å; L558-Y562 WeakPolarHBondContact O-CE1 3.37Å; L558-V574 HydrophobicContact CD1-CG1 3.99Å; L558-L578 HydrophobicContact CB-CD1 3.59Å; L558-L578 HydrophobicContact CD1-CD1 4.15Å; L558-L578 HydrophobicContact CG-CD1 4.31Å; L558-L889 HydrophobicContact CD2-CD2 3.45Å; L558-L889 VanDerWaalsContact CD2-CD2 3.45Å; L558-L996 HydrophobicContact CB-CD2 4.24Å; L558-L996 HydrophobicContact CD2-CD1 4.24Å; L558-L996 HydrophobicContact CD2-CD2 3.84Å; L558-L996 HydrophobicContact CG-CD2 3.97Å |
| 559 | S | 95.1 | Very high | 90.1 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 178 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | L555 F556 S561 Y562 V995 G999 | L555-S559 WeakPolarHBondContact O-CB 3.35Å; L555-S559 PolarHBondContact O-N 3.43Å; F556-S559 PolarHBondContact O-N 2.97Å; S559-S561 VanDerWaalsContact C-N 3.34Å; S559-Y562 WeakPolarHBondContact O-CB 3.5Å; S559-Y562 PolarHBondContact O-N 3.16Å; S559-V995 PolarHBondContact OG-O 2.95Å; S559-G999 VanDerWaalsContact OG-CA 3.24Å; S559-G999 WeakPolarHBondContact OG-CA 3.39Å |
| 560 | S | 93.7 | Very high | 90.4 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.5 | -28.6 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | F556 L557 L558 Y562 L563 | F556-S560 WeakPolarHBondContact CE1-OG 3.36Å; F556-S560 WeakPolarHBondContact CZ-OG 3.29Å; F556-S560 VanDerWaalsContact O-CB 3.27Å; F556-S560 WeakPolarHBondContact O-CB 3.37Å; F556-S560 PolarHBondContact O-N 3.3Å; F556-S560 PolarHBondContact O-OG 3.49Å; L557-S560 PolarHBondContact O-N 3.3Å; L558-S560 VanDerWaalsContact C-N 3.29Å; L558-S560 PolarHBondContact O-N 2.98Å; S560-Y562 PolarHBondContact O-N 3.48Å; S560-L563 WeakPolarHBondContact O-CB 3.23Å; S560-L563 PolarHBondContact O-N 2.92Å; S560-L563 VanDerWaalsContact O-N 3.07Å |
| 561 | S | 94.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -26.8 | 177.1 | 82 | 0 | 0 | 0 | 0 | 111.8 | L557 L558 S559 L563 S564 M567 | L557-S561 WeakPolarHBondContact O-CB 3.37Å; L557-S561 PolarHBondContact O-N 2.97Å; L558-S561 WeakPolarHBondContact O-CB 3.46Å; L558-S561 PolarHBondContact O-N 3.09Å; L558-S561 VanDerWaalsContact O-N 3.08Å; L558-S561 PolarHBondContact O-OG 3.24Å; S559-S561 VanDerWaalsContact C-N 3.34Å; S561-L563 PolarHBondContact O-N 2.97Å; S561-L563 VanDerWaalsContact O-N 3.07Å; S561-S564 PolarHBondContact O-N 3.42Å; S561-M567 VanDerWaalsContact O-CB 3.27Å; S561-M567 WeakPolarHBondContact O-CB 3.42Å |
| 562 | Y | 95.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.9 | 176.9 | -52.7 | -22.5 | 0 | 0 | 0 | 113.4 | L558 S559 S560 S564 I568 E571 L996 C1000 S1003 F1017 H1020 | L558-Y562 HydrophobicContact CD1-CE1 3.88Å; L558-Y562 HydrophobicContact CG-CE1 4.11Å; L558-Y562 WeakPolarHBondContact CG-OH 3.37Å; L558-Y562 WeakPolarHBondContact O-CD1 3.49Å; L558-Y562 WeakPolarHBondContact O-CE1 3.37Å; S559-Y562 WeakPolarHBondContact O-CB 3.5Å; S559-Y562 PolarHBondContact O-N 3.16Å; S560-Y562 PolarHBondContact O-N 3.48Å; Y562-S564 PolarHBondContact O-N 3.01Å; Y562-I568 HydrophobicContact CD1-CG1 4.28Å; Y562-I568 WeakPolarHBondContact O-CD1 3.34Å; Y562-E571 HydrophobicContact CE1-CG 4.23Å; Y562-E571 WeakPolarHBondContact CE1-OE1 3.44Å; Y562-E571 PolarHBondContact OH-OE1 2.78Å; Y562-E571 VanDerWaalsContact OH-OE1 3.04Å; Y562-L996 HydrophobicContact CE2-CB 4.38Å; Y562-L996 HydrophobicContact CE2-CD2 4.28Å; Y562-C1000 VanDerWaalsContact CD2-SG 3.58Å; Y562-C1000 VanDerWaalsContact CE2-SG 3.59Å; Y562-S1003 WeakPolarHBondContact O-CB 3.34Å; Y562-F1017 WeakPolarHBondContact O-CE1 3.42Å; Y562-H1020 AromaticContact CD1-CE1 3.78Å; Y562-H1020 AromaticContact CD2-CE1 3.87Å; Y562-H1020 AromaticContact CE1-CE1 3.78Å; Y562-H1020 AromaticContact CE2-CE1 3.83Å; Y562-H1020 AromaticContact CG-CE1 3.85Å; Y562-H1020 AromaticContact CZ-CE1 3.79Å |
| 563 | L | 93.7 | Very high | 91.2 | Very high | 88 Ų | 88 | 41.4 Ų | 41.4 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -4.5 | 170.7 | -66.4 | 169.1 | 0 | 0 | 0 | 113.5 | S560 S561 L1006 L1007 | S560-L563 WeakPolarHBondContact O-CB 3.23Å; S560-L563 PolarHBondContact O-N 2.92Å; S560-L563 VanDerWaalsContact O-N 3.07Å; S561-L563 PolarHBondContact O-N 2.97Å; S561-L563 VanDerWaalsContact O-N 3.07Å; L563-L1006 HydrophobicContact CD2-CD1 3.83Å; L563-L1007 WeakPolarHBondContact O-CD1 3.48Å |
| 564 | S | 93.5 | Very high | 91.3 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 30% | 0.301 | 21% | 0.21 | S | C | . | . | trans | -122.8 | 124.5 | 180 | 175.3 | 0 | 0 | 0 | 0 | 111 | S561 Y562 S566 M567 I568 | S561-S564 PolarHBondContact O-N 3.42Å; Y562-S564 PolarHBondContact O-N 3.01Å; S564-S566 PolarHBondContact O-N 3.11Å; S564-S566 PolarHBondContact OG-N 3.48Å; S564-M567 PolarHBondContact O-N 3.4Å; S564-M567 VanDerWaalsContact O-N 3.14Å; S564-M567 PolarHBondContact OG-N 2.94Å; S564-I568 PolarHBondContact O-N 2.79Å | ||
| 565 | N | 86.3 | Confident | 91.3 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.15 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52 | -46.1 | 172.1 | -64.2 | -75.1 | 0 | 0 | 0 | 111.6 | M567 I568 I569 H1010 I1016 F1017 | N565-M567 VanDerWaalsContact C-N 3.31Å; N565-M567 PolarHBondContact O-N 3.5Å; N565-I568 PolarHBondContact O-N 3.19Å; N565-I569 VanDerWaalsContact O-CG1 3.28Å; N565-I569 WeakPolarHBondContact O-CG1 3.35Å; N565-I569 PolarHBondContact O-N 3.17Å; N565-H1010 VanDerWaalsContact CG-CE1 3.49Å; N565-H1010 PolarHBondContact ND2-CE1 2.94Å; N565-H1010 PolarHBondContact ND2-NE2 3.06Å; N565-H1010 PolarHBondContact OD1-CE1 3.42Å; N565-I1016 HydrophobicContact CB-CD1 4.2Å; N565-F1017 HydrophobicContact CB-CZ 4.41Å; N565-F1017 VanDerWaalsContact CG-CZ 3.44Å; N565-F1017 WeakPolarHBondContact OD1-CE2 3.41Å; N565-F1017 WeakPolarHBondContact OD1-CZ 3.29Å |
| 566 | S | 89 | Confident | 91.1 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 53% | 0.531 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.3 | -41.8 | -178.3 | -49.1 | 0 | 0 | 0 | 0 | 111.1 | S564 I569 Y570 | S564-S566 PolarHBondContact O-N 3.11Å; S564-S566 PolarHBondContact OG-N 3.48Å; S566-I569 PolarHBondContact O-N 3.3Å; S566-Y570 VanDerWaalsContact O-CD2 3.28Å; S566-Y570 WeakPolarHBondContact O-CD2 3.43Å; S566-Y570 PolarHBondContact O-N 3.35Å |
| 567 | M | 90.3 | Very high | 90.8 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 45% | 0.448 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.3 | -33.3 | 178.6 | -67.1 | -65.6 | -174.6 | 0 | 0 | 112.9 | S561 S564 N565 Y570 E571 V574 | S561-M567 VanDerWaalsContact O-CB 3.27Å; S561-M567 WeakPolarHBondContact O-CB 3.42Å; S564-M567 PolarHBondContact O-N 3.4Å; S564-M567 VanDerWaalsContact O-N 3.14Å; S564-M567 PolarHBondContact OG-N 2.94Å; N565-M567 VanDerWaalsContact C-N 3.31Å; N565-M567 PolarHBondContact O-N 3.5Å; M567-Y570 CarbonylContact O-C 3.59Å; M567-Y570 VanDerWaalsContact O-C 3.27Å; M567-Y570 PolarHBondContact O-N 3.07Å; M567-E571 VanDerWaalsContact O-CA 3.29Å; M567-E571 WeakPolarHBondContact O-CA 3.22Å; M567-E571 PolarHBondContact O-N 2.86Å; M567-V574 HydrophobicContact SD-CG2 3.89Å |
| 568 | I | 90.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 171.7 | -66.6 | 177.7 | 0 | 0 | 0 | 110.5 | Y562 S564 N565 Y570 E571 I1016 F1017 | Y562-I568 HydrophobicContact CD1-CG1 4.28Å; Y562-I568 WeakPolarHBondContact O-CD1 3.34Å; S564-I568 PolarHBondContact O-N 2.79Å; N565-I568 PolarHBondContact O-N 3.19Å; I568-Y570 PolarHBondContact O-N 3.08Å; I568-E571 WeakPolarHBondContact O-CB 3.49Å; I568-E571 PolarHBondContact O-N 2.99Å; I568-E571 VanDerWaalsContact O-N 3.08Å; I568-I1016 HydrophobicContact CB-CG2 4Å; I568-I1016 HydrophobicContact CD1-CG2 4.12Å; I568-I1016 HydrophobicContact CG2-CG2 3.59Å; I568-F1017 HydrophobicContact CD1-CD1 3.5Å; I568-F1017 HydrophobicContact CD1-CE1 3.39Å; I568-F1017 HydrophobicContact CD1-CZ 4.45Å |
| 569 | I | 88.1 | Confident | 90 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 177.4 | -70 | 166.7 | 0 | 0 | 0 | 110.5 | N565 S566 E649 L650 I1016 | N565-I569 VanDerWaalsContact O-CG1 3.28Å; N565-I569 WeakPolarHBondContact O-CG1 3.35Å; N565-I569 PolarHBondContact O-N 3.17Å; S566-I569 PolarHBondContact O-N 3.3Å; I569-E649 HydrophobicContact CD1-CB 4.23Å; I569-L650 HydrophobicContact CG2-CD1 3.72Å; I569-L650 HydrophobicContact CG2-CD2 3.48Å; I569-L650 VanDerWaalsContact CG2-CD2 3.48Å; I569-L650 HydrophobicContact CG2-CG 3.45Å; I569-L650 VanDerWaalsContact CG2-CG 3.45Å; I569-I1016 HydrophobicContact CD1-CD1 3.85Å; I569-I1016 HydrophobicContact CG1-CD1 4.02Å |
| 570 | Y | 88.3 | Confident | 89.3 | Confident | 83 Ų | 83 | 36.6 Ų | 36.6 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 22.7 | 177.3 | -70.3 | -81.5 | 0 | 0 | 0 | 113.9 | S566 M567 I568 F572 H573 V574 L650 L655 | S566-Y570 VanDerWaalsContact O-CD2 3.28Å; S566-Y570 WeakPolarHBondContact O-CD2 3.43Å; S566-Y570 PolarHBondContact O-N 3.35Å; M567-Y570 CarbonylContact O-C 3.59Å; M567-Y570 VanDerWaalsContact O-C 3.27Å; M567-Y570 PolarHBondContact O-N 3.07Å; I568-Y570 PolarHBondContact O-N 3.08Å; Y570-F572 VanDerWaalsContact C-N 3.25Å; Y570-F572 PolarHBondContact O-N 3.29Å; Y570-F572 VanDerWaalsContact O-N 3.16Å; Y570-H573 AromaticContact CD1-CD2 3.68Å; Y570-H573 WeakPolarHBondContact O-CB 3.15Å; Y570-H573 PolarHBondContact O-N 3.49Å; Y570-V574 PolarHBondContact O-N 3.14Å; Y570-V574 VanDerWaalsContact O-N 3.08Å; Y570-L650 HydrophobicContact CE1-CD1 4.35Å; Y570-L650 HydrophobicContact CE1-CD2 3.89Å; Y570-L650 HydrophobicContact CE2-CD2 3.74Å; Y570-L650 VanDerWaalsContact OH-CD2 3.24Å; Y570-L650 WeakPolarHBondContact OH-CD2 3.34Å; Y570-L655 HydrophobicContact CE1-CD1 4.23Å |
| 571 | E | 91 | Very high | 88.8 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -36.2 | -171.7 | 178.3 | 177.9 | -176.1 | 0 | 0 | 113.1 | Y562 M567 I568 H573 V574 T575 N892 F896 H1020 | Y562-E571 HydrophobicContact CE1-CG 4.23Å; Y562-E571 WeakPolarHBondContact CE1-OE1 3.44Å; Y562-E571 PolarHBondContact OH-OE1 2.78Å; Y562-E571 VanDerWaalsContact OH-OE1 3.04Å; M567-E571 VanDerWaalsContact O-CA 3.29Å; M567-E571 WeakPolarHBondContact O-CA 3.22Å; M567-E571 PolarHBondContact O-N 2.86Å; I568-E571 WeakPolarHBondContact O-CB 3.49Å; I568-E571 PolarHBondContact O-N 2.99Å; I568-E571 VanDerWaalsContact O-N 3.08Å; E571-H573 VanDerWaalsContact C-N 3.3Å; E571-H573 PolarHBondContact O-N 3.36Å; E571-V574 PolarHBondContact O-N 3.32Å; E571-T575 WeakPolarHBondContact O-CB 3.19Å; E571-T575 PolarHBondContact O-N 3.3Å; E571-T575 PolarHBondContact O-OG1 2.95Å; E571-N892 PolarHBondContact OE1-ND2 3.3Å; E571-N892 PolarHBondContact OE1-OD1 3.4Å; E571-F896 HydrophobicContact CB-CE2 4.41Å; E571-F896 HydrophobicContact CB-CZ 3.96Å; E571-F896 HydrophobicContact CG-CE2 3.96Å; E571-F896 HydrophobicContact CG-CZ 3.86Å; E571-F896 WeakPolarHBondContact OE2-CZ 3.37Å; E571-H1020 IonicContact OE1-NE2 2.77Å; E571-H1020 PolarHBondContact OE1-NE2 3.1Å; E571-H1020 IonicContact OE2-CD2 3.58Å; E571-H1020 PolarHBondContact OE2-CD2 3.43Å; E571-H1020 IonicContact OE2-CE1 3.86Å; E571-H1020 IonicContact OE2-NE2 2.69Å; E571-H1020 PolarHBondContact OE2-NE2 3.12Å |
| 572 | F | 88 | Confident | 87.8 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.5 | -48.4 | 172.4 | 164.5 | -92 | 0 | 0 | 0 | 111.7 | Y570 T575 L576 I640 L644 L893 F896 I897 | Y570-F572 VanDerWaalsContact C-N 3.25Å; Y570-F572 PolarHBondContact O-N 3.29Å; Y570-F572 VanDerWaalsContact O-N 3.16Å; F572-T575 PolarHBondContact O-N 2.91Å; F572-L576 HydrophobicContact CE1-CD2 4.15Å; F572-L576 HydrophobicContact CZ-CD2 4.09Å; F572-L576 VanDerWaalsContact O-CB 3.27Å; F572-L576 WeakPolarHBondContact O-CB 3.45Å; F572-L576 PolarHBondContact O-N 2.82Å; F572-I640 HydrophobicContact CE2-CG2 3.42Å; F572-I640 VanDerWaalsContact CE2-CG2 3.42Å; F572-I640 HydrophobicContact CZ-CB 4.32Å; F572-I640 HydrophobicContact CZ-CG2 3.32Å; F572-L644 HydrophobicContact CB-CD1 3.77Å; F572-L644 HydrophobicContact CD1-CB 4.48Å; F572-L644 HydrophobicContact CD1-CD1 3.7Å; F572-L644 HydrophobicContact CD1-CD2 3.47Å; F572-L644 VanDerWaalsContact CD1-CD2 3.47Å; F572-L644 HydrophobicContact CD1-CG 4.07Å; F572-L644 HydrophobicContact CD2-CD1 3.9Å; F572-L644 HydrophobicContact CE1-CB 4.25Å; F572-L644 HydrophobicContact CE1-CD1 4.28Å; F572-L644 HydrophobicContact CE1-CD2 3.73Å; F572-L644 HydrophobicContact CE1-CG 4.31Å; F572-L644 HydrophobicContact CE2-CD1 4.43Å; F572-L644 HydrophobicContact CG-CD1 3.49Å; F572-L644 VanDerWaalsContact CG-CD1 3.49Å; F572-L644 HydrophobicContact CG-CD2 4.17Å; F572-L644 HydrophobicContact CG-CG 4.35Å; F572-L644 HydrophobicContact CZ-CB 4.36Å; F572-L893 HydrophobicContact CD2-CD1 3.48Å; F572-L893 VanDerWaalsContact CD2-CD1 3.48Å; F572-L893 HydrophobicContact CE2-CD1 3.52Å; F572-L893 HydrophobicContact CG-CD1 4.38Å; F572-L893 HydrophobicContact CZ-CD1 4.42Å; F572-F896 HydrophobicContact CB-CB 4.17Å; F572-F896 HydrophobicContact CB-CD1 4.29Å; F572-F896 HydrophobicContact CB-CD2 4.21Å; F572-F896 HydrophobicContact CB-CG 3.96Å; F572-F896 HydrophobicContact CD2-CB 3.7Å; F572-F896 HydrophobicContact CD2-CG 4.33Å; F572-F896 HydrophobicContact CG-CB 4.36Å; F572-I897 HydrophobicContact CE2-CG1 4.07Å |
| 573 | H | 86.8 | Confident | 86.8 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 25% | 0.25 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.7 | -38.3 | -178 | -66.5 | -78.3 | 0 | 0 | 0 | 111.5 | Y570 E571 L576 Y577 L644 | Y570-H573 AromaticContact CD1-CD2 3.68Å; Y570-H573 WeakPolarHBondContact O-CB 3.15Å; Y570-H573 PolarHBondContact O-N 3.49Å; E571-H573 VanDerWaalsContact C-N 3.3Å; E571-H573 PolarHBondContact O-N 3.36Å; H573-L576 PolarHBondContact O-N 3.34Å; H573-Y577 VanDerWaalsContact O-CB 3.27Å; H573-Y577 WeakPolarHBondContact O-CB 3.42Å; H573-Y577 PolarHBondContact O-N 2.82Å; H573-L644 WeakPolarHBondContact NE2-CD2 3.45Å |
| 574 | V | 91.3 | Very high | 85.8 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -52.3 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | L558 M567 Y570 E571 L576 Y577 L578 | L558-V574 HydrophobicContact CD1-CG1 3.99Å; M567-V574 HydrophobicContact SD-CG2 3.89Å; Y570-V574 PolarHBondContact O-N 3.14Å; Y570-V574 VanDerWaalsContact O-N 3.08Å; E571-V574 PolarHBondContact O-N 3.32Å; V574-L576 PolarHBondContact O-N 3.47Å; V574-Y577 WeakPolarHBondContact O-CB 3.47Å; V574-Y577 PolarHBondContact O-N 2.94Å; V574-Y577 VanDerWaalsContact O-N 3.17Å; V574-L578 HydrophobicContact CG1-CD1 4.08Å; V574-L578 HydrophobicContact CG1-CG 4.49Å; V574-L578 VanDerWaalsContact O-CG 3.29Å; V574-L578 WeakPolarHBondContact O-CG 3.4Å; V574-L578 PolarHBondContact O-N 3.41Å |
| 575 | T | 90.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | E571 F572 Y577 L578 I579 L889 N892 L893 | E571-T575 WeakPolarHBondContact O-CB 3.19Å; E571-T575 PolarHBondContact O-N 3.3Å; E571-T575 PolarHBondContact O-OG1 2.95Å; F572-T575 PolarHBondContact O-N 2.91Å; T575-Y577 VanDerWaalsContact C-N 3.34Å; T575-Y577 PolarHBondContact O-N 3.31Å; T575-L578 PolarHBondContact O-N 3.17Å; T575-I579 HydrophobicContact CG2-CD1 4.03Å; T575-I579 WeakPolarHBondContact O-CG1 3.23Å; T575-I579 PolarHBondContact O-N 3.5Å; T575-L889 HydrophobicContact CG2-CB 4.39Å; T575-L889 VanDerWaalsContact CG2-O 3.22Å; T575-L889 WeakPolarHBondContact CG2-O 3.26Å; T575-N892 HydrophobicContact CG2-CB 4.12Å; T575-N892 PolarHBondContact OG1-ND2 2.98Å; T575-N892 VanDerWaalsContact OG1-ND2 3.11Å; T575-L893 HydrophobicContact CG2-CB 3.9Å; T575-L893 HydrophobicContact CG2-CD1 4.49Å |
| 576 | L | 86.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.7 | -178.3 | 62.3 | 0 | 0 | 0 | 111.7 | F572 H573 V574 I579 Q580 F636 R637 I640 L893 | F572-L576 HydrophobicContact CE1-CD2 4.15Å; F572-L576 HydrophobicContact CZ-CD2 4.09Å; F572-L576 VanDerWaalsContact O-CB 3.27Å; F572-L576 WeakPolarHBondContact O-CB 3.45Å; F572-L576 PolarHBondContact O-N 2.82Å; H573-L576 PolarHBondContact O-N 3.34Å; V574-L576 PolarHBondContact O-N 3.47Å; L576-I579 PolarHBondContact O-N 3.15Å; L576-Q580 VanDerWaalsContact O-CG 3.26Å; L576-Q580 WeakPolarHBondContact O-CG 3.26Å; L576-Q580 PolarHBondContact O-N 3.43Å; L576-F636 HydrophobicContact CD1-CD1 4.31Å; L576-F636 HydrophobicContact CD1-CE1 3.91Å; L576-R637 HydrophobicContact CD2-CG 4.32Å; L576-I640 HydrophobicContact CD1-CD1 4.21Å; L576-L893 HydrophobicContact CB-CD1 4.12Å; L576-L893 HydrophobicContact CD1-CD2 4.08Å |
| 577 | Y | 87.8 | Confident | 82.9 | Confident | 143 Ų | 143 | 37.2 Ų | 37.2 | 56% | 0.561 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.8 | -41.4 | 177.7 | -177.7 | -95.2 | 0 | 0 | 0 | 112.1 | H573 V574 T575 Q580 S581 | H573-Y577 VanDerWaalsContact O-CB 3.27Å; H573-Y577 WeakPolarHBondContact O-CB 3.42Å; H573-Y577 PolarHBondContact O-N 2.82Å; V574-Y577 WeakPolarHBondContact O-CB 3.47Å; V574-Y577 PolarHBondContact O-N 2.94Å; V574-Y577 VanDerWaalsContact O-N 3.17Å; T575-Y577 VanDerWaalsContact C-N 3.34Å; T575-Y577 PolarHBondContact O-N 3.31Å; Y577-Q580 PolarHBondContact O-N 3.39Å; Y577-S581 WeakPolarHBondContact O-CB 3.42Å; Y577-S581 PolarHBondContact O-N 2.76Å; Y577-S581 PolarHBondContact O-OG 2.89Å |
| 578 | L | 88.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 176.8 | -64.5 | 173.2 | 0 | 0 | 0 | 111.7 | L554 L557 L558 V574 T575 S581 L582 L889 | L554-L578 HydrophobicContact CB-CD2 4.41Å; L554-L578 HydrophobicContact CD2-CB 4.47Å; L554-L578 HydrophobicContact CD2-CD2 3.48Å; L554-L578 VanDerWaalsContact CD2-CD2 3.48Å; L557-L578 HydrophobicContact CB-CD2 4.43Å; L558-L578 HydrophobicContact CB-CD1 3.59Å; L558-L578 HydrophobicContact CD1-CD1 4.15Å; L558-L578 HydrophobicContact CG-CD1 4.31Å; V574-L578 HydrophobicContact CG1-CD1 4.08Å; V574-L578 HydrophobicContact CG1-CG 4.49Å; V574-L578 VanDerWaalsContact O-CG 3.29Å; V574-L578 WeakPolarHBondContact O-CG 3.4Å; V574-L578 PolarHBondContact O-N 3.41Å; T575-L578 PolarHBondContact O-N 3.17Å; L578-S581 PolarHBondContact O-N 2.75Å; L578-L582 PolarHBondContact O-N 2.8Å; L578-L889 HydrophobicContact CB-CD1 4.31Å |
| 579 | I | 82.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 172.8 | -73.8 | 167.9 | 0 | 0 | 0 | 110.4 | T575 L576 S581 L582 I583 F886 L889 L893 | T575-I579 HydrophobicContact CG2-CD1 4.03Å; T575-I579 WeakPolarHBondContact O-CG1 3.23Å; T575-I579 PolarHBondContact O-N 3.5Å; L576-I579 PolarHBondContact O-N 3.15Å; I579-S581 VanDerWaalsContact C-N 3.32Å; I579-S581 PolarHBondContact O-N 3.41Å; I579-L582 WeakPolarHBondContact O-CB 3.31Å; I579-L582 PolarHBondContact O-N 3.2Å; I579-L582 VanDerWaalsContact O-N 3.17Å; I579-I583 HydrophobicContact CG2-CD1 3.75Å; I579-I583 HydrophobicContact CG2-CG1 4.38Å; I579-I583 VanDerWaalsContact O-CG1 3.25Å; I579-I583 WeakPolarHBondContact O-CG1 3.27Å; I579-I583 PolarHBondContact O-N 3.44Å; I579-F886 HydrophobicContact CG2-CE2 3.96Å; I579-L889 HydrophobicContact CD1-CB 3.98Å; I579-L889 HydrophobicContact CG1-CB 3.62Å; I579-L889 HydrophobicContact CG1-CD1 4.22Å; I579-L893 HydrophobicContact CD1-CB 3.91Å; I579-L893 HydrophobicContact CD1-CD2 3.68Å; I579-L893 HydrophobicContact CD1-CG 4.33Å |
| 580 | Q | 80.1 | Confident | 78.9 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 179.3 | -72.2 | 179.2 | -32.7 | 0 | 0 | 111.8 | L576 Y577 L582 I583 V584 M633 | L576-Q580 VanDerWaalsContact O-CG 3.26Å; L576-Q580 WeakPolarHBondContact O-CG 3.26Å; L576-Q580 PolarHBondContact O-N 3.43Å; Y577-Q580 PolarHBondContact O-N 3.39Å; Q580-L582 VanDerWaalsContact C-N 3.31Å; Q580-L582 PolarHBondContact O-N 3.47Å; Q580-I583 PolarHBondContact O-N 2.81Å; Q580-V584 WeakPolarHBondContact O-CG2 3.26Å; Q580-V584 PolarHBondContact O-N 2.89Å; Q580-M633 HydrophobicContact CB-SD 4.36Å; Q580-M633 HydrophobicContact CG-SD 3.9Å |
| 581 | S | 82.6 | Confident | 77.5 | Confident | 33 Ų | 33 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.3 | -59 | 0 | 0 | 0 | 0 | 111.2 | Y577 L578 I579 I583 V584 V585 | Y577-S581 WeakPolarHBondContact O-CB 3.42Å; Y577-S581 PolarHBondContact O-N 2.76Å; Y577-S581 PolarHBondContact O-OG 2.89Å; L578-S581 PolarHBondContact O-N 2.75Å; I579-S581 VanDerWaalsContact C-N 3.32Å; I579-S581 PolarHBondContact O-N 3.41Å; S581-I583 PolarHBondContact O-N 3.11Å; S581-V584 PolarHBondContact O-N 3.04Å; S581-V585 WeakPolarHBondContact O-CG2 3.4Å; S581-V585 PolarHBondContact O-N 3.44Å |
| 582 | L | 75.3 | Confident | 75.9 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 177.4 | -165.2 | 78.2 | 0 | 0 | 0 | 112.2 | I550 L554 L578 I579 Q580 V584 V585 F586 I882 F886 | I550-L582 HydrophobicContact CG2-CD1 4.4Å; L554-L582 HydrophobicContact CD1-CB 3.85Å; L554-L582 HydrophobicContact CD1-CD1 3.5Å; L554-L582 VanDerWaalsContact CD1-CD1 3.5Å; L554-L582 HydrophobicContact CD1-CG 4.27Å; L578-L582 PolarHBondContact O-N 2.8Å; I579-L582 WeakPolarHBondContact O-CB 3.31Å; I579-L582 PolarHBondContact O-N 3.2Å; I579-L582 VanDerWaalsContact O-N 3.17Å; Q580-L582 VanDerWaalsContact C-N 3.31Å; Q580-L582 PolarHBondContact O-N 3.47Å; L582-V584 VanDerWaalsContact C-N 3.34Å; L582-V585 PolarHBondContact O-N 3.47Å; L582-F586 HydrophobicContact CD2-CD2 4.39Å; L582-F586 HydrophobicContact CD2-CE2 3.78Å; L582-F586 HydrophobicContact CG-CD2 4.03Å; L582-F586 HydrophobicContact CG-CE2 3.8Å; L582-F586 WeakPolarHBondContact O-CD2 3.29Å; L582-F586 PolarHBondContact O-N 2.86Å; L582-I882 HydrophobicContact CD1-CG2 3.63Å; L582-I882 HydrophobicContact CD2-CG2 3.86Å; L582-I882 HydrophobicContact CG-CG2 4.07Å; L582-F886 HydrophobicContact CD2-CB 3.58Å; L582-F886 HydrophobicContact CD2-CD2 3.68Å; L582-F886 HydrophobicContact CD2-CG 4.07Å |
| 583 | I | 73.6 | Confident | 74.2 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -34 | -179.8 | -49.2 | 159.3 | 0 | 0 | 0 | 110.6 | I579 Q580 S581 F586 F587 Y629 M633 F886 | I579-I583 HydrophobicContact CG2-CD1 3.75Å; I579-I583 HydrophobicContact CG2-CG1 4.38Å; I579-I583 VanDerWaalsContact O-CG1 3.25Å; I579-I583 WeakPolarHBondContact O-CG1 3.27Å; I579-I583 PolarHBondContact O-N 3.44Å; Q580-I583 PolarHBondContact O-N 2.81Å; S581-I583 PolarHBondContact O-N 3.11Å; I583-F586 PolarHBondContact O-N 2.8Å; I583-F587 WeakPolarHBondContact O-CB 3.34Å; I583-F587 PolarHBondContact O-N 3.5Å; I583-Y629 VanDerWaalsContact C-OH 3.23Å; I583-Y629 WeakPolarHBondContact CB-OH 3.41Å; I583-Y629 HydrophobicContact CG2-CE2 3.56Å; I583-Y629 WeakPolarHBondContact CG2-OH 3.22Å; I583-Y629 PolarHBondContact O-OH 2.85Å; I583-M633 HydrophobicContact CB-SD 4.48Å; I583-M633 HydrophobicContact CD1-CE 3.56Å; I583-M633 HydrophobicContact CD1-SD 3.91Å; I583-F886 HydrophobicContact CD1-CE2 4.17Å; I583-F886 HydrophobicContact CG1-CE2 3.9Å |
| 584 | V | 73.1 | Confident | 72.5 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 171.4 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | Q580 S581 L582 F586 F587 I588 Y629 | Q580-V584 WeakPolarHBondContact O-CG2 3.26Å; Q580-V584 PolarHBondContact O-N 2.89Å; S581-V584 PolarHBondContact O-N 3.04Å; L582-V584 VanDerWaalsContact C-N 3.34Å; V584-F586 PolarHBondContact O-N 2.89Å; V584-F587 WeakPolarHBondContact O-CB 3.44Å; V584-F587 PolarHBondContact O-N 2.84Å; V584-I588 HydrophobicContact CG1-CD1 3.89Å; V584-I588 HydrophobicContact CG1-CG1 4.48Å; V584-I588 WeakPolarHBondContact O-CG1 3.5Å; V584-I588 PolarHBondContact O-N 3.01Å; V584-Y629 HydrophobicContact CG2-CE1 4.31Å; V584-Y629 PolarHBondContact N-OH 3.4Å |
| 585 | V | 71.7 | Confident | 70.4 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 175 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | I550 S581 L582 F587 I588 D589 | I550-V585 HydrophobicContact CD1-CG1 3.65Å; I550-V585 HydrophobicContact CD1-CG2 4.35Å; I550-V585 HydrophobicContact CG2-CG1 4.34Å; I550-V585 HydrophobicContact CG2-CG2 4.21Å; S581-V585 WeakPolarHBondContact O-CG2 3.4Å; S581-V585 PolarHBondContact O-N 3.44Å; L582-V585 PolarHBondContact O-N 3.47Å; V585-F587 VanDerWaalsContact C-N 3.26Å; V585-F587 PolarHBondContact O-N 3.36Å; V585-I588 PolarHBondContact O-N 3.25Å; V585-D589 WeakPolarHBondContact O-CB 3.33Å; V585-D589 PolarHBondContact O-N 3.4Å |
| 586 | F | 67.5 | Low | 68.1 | Low | 77 Ų | 77 | 65.1 Ų | 65.1 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 175.4 | -83.5 | -60.9 | 0 | 0 | 0 | 113.1 | L582 I583 V584 S590 I882 | L582-F586 HydrophobicContact CD2-CD2 4.39Å; L582-F586 HydrophobicContact CD2-CE2 3.78Å; L582-F586 HydrophobicContact CG-CD2 4.03Å; L582-F586 HydrophobicContact CG-CE2 3.8Å; L582-F586 WeakPolarHBondContact O-CD2 3.29Å; L582-F586 PolarHBondContact O-N 2.86Å; I583-F586 PolarHBondContact O-N 2.8Å; V584-F586 PolarHBondContact O-N 2.89Å; F586-S590 VanDerWaalsContact O-CB 3.25Å; F586-S590 WeakPolarHBondContact O-CB 3.24Å; F586-S590 PolarHBondContact O-N 3.27Å; F586-I882 HydrophobicContact CE1-CG2 4.1Å; F586-I882 HydrophobicContact CE2-CG2 3.46Å; F586-I882 VanDerWaalsContact CE2-CG2 3.46Å; F586-I882 HydrophobicContact CZ-CB 3.92Å; F586-I882 HydrophobicContact CZ-CG2 3.15Å |
| 587 | F | 67 | Low | 66 | Low | 56 Ų | 56 | 70.3 Ų | 70.3 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 176.1 | 178.4 | -89.2 | 0 | 0 | 0 | 111.2 | I583 V584 V585 F591 T626 Y629 | I583-F587 WeakPolarHBondContact O-CB 3.34Å; I583-F587 PolarHBondContact O-N 3.5Å; V584-F587 WeakPolarHBondContact O-CB 3.44Å; V584-F587 PolarHBondContact O-N 2.84Å; V585-F587 VanDerWaalsContact C-N 3.26Å; V585-F587 PolarHBondContact O-N 3.36Å; F587-F591 VanDerWaalsContact O-CB 3.29Å; F587-F591 WeakPolarHBondContact O-CB 3.2Å; F587-F591 PolarHBondContact O-N 2.88Å; F587-T626 HydrophobicContact CE1-CG2 3.51Å; F587-T626 HydrophobicContact CZ-CG2 3.39Å; F587-Y629 HydrophobicContact CB-CE1 4.35Å; F587-Y629 HydrophobicContact CD2-CD1 4.21Å; F587-Y629 HydrophobicContact CD2-CD2 4.5Å; F587-Y629 HydrophobicContact CD2-CG 4.11Å; F587-Y629 HydrophobicContact CG-CD1 4.3Å; F587-Y629 HydrophobicContact CG-CE1 4.49Å |
| 588 | I | 65.7 | Low | 63.8 | Low | 85 Ų | 85 | 66.4 Ų | 66.4 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 177.1 | -66.4 | 166.9 | 0 | 0 | 0 | 110.9 | V584 V585 F591 I592 | V584-I588 HydrophobicContact CG1-CD1 3.89Å; V584-I588 HydrophobicContact CG1-CG1 4.48Å; V584-I588 WeakPolarHBondContact O-CG1 3.5Å; V584-I588 PolarHBondContact O-N 3.01Å; V585-I588 PolarHBondContact O-N 3.25Å; I588-F591 CarbonylContact O-C 3.59Å; I588-F591 WeakPolarHBondContact O-CA 3.48Å; I588-F591 WeakPolarHBondContact O-CB 3.29Å; I588-F591 PolarHBondContact O-N 3.42Å; I588-I592 HydrophobicContact CG2-CD1 3.81Å; I588-I592 HydrophobicContact CG2-CG1 4.36Å; I588-I592 WeakPolarHBondContact O-CG1 3.5Å; I588-I592 PolarHBondContact O-N 2.92Å |
| 589 | D | 61.1 | Low | 61.3 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 177.3 | -176.1 | 59.1 | 0 | 0 | 0 | 111.3 | V585 F591 I592 H593 | V585-D589 WeakPolarHBondContact O-CB 3.33Å; V585-D589 PolarHBondContact O-N 3.4Å; D589-F591 PolarHBondContact O-N 3.21Å; D589-I592 PolarHBondContact O-N 3.19Å; D589-H593 PolarHBondContact O-N 3.17Å; D589-H593 VanDerWaalsContact O-N 3.08Å |
| 590 | S | 58.1 | Low | 59.1 | Low | 65 Ų | 65 | 76.1 Ų | 76.1 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -28.9 | 173.5 | -177 | 0 | 0 | 0 | 0 | 112.7 | F586 M594 | F586-S590 VanDerWaalsContact O-CB 3.25Å; F586-S590 WeakPolarHBondContact O-CB 3.24Å; F586-S590 PolarHBondContact O-N 3.27Å; S590-M594 VanDerWaalsContact O-CG 3.31Å; S590-M594 WeakPolarHBondContact O-CG 2.98Å; S590-M594 PolarHBondContact O-N 3.38Å |
| 591 | F | 58.6 | Low | 57 | Low | 99 Ų | 99 | 78.1 Ų | 78.1 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -76 | -41.7 | 177.5 | 178 | -108.8 | 0 | 0 | 0 | 112.1 | F587 I588 D589 H593 M594 L622 | F587-F591 VanDerWaalsContact O-CB 3.29Å; F587-F591 WeakPolarHBondContact O-CB 3.2Å; F587-F591 PolarHBondContact O-N 2.88Å; I588-F591 CarbonylContact O-C 3.59Å; I588-F591 WeakPolarHBondContact O-CA 3.48Å; I588-F591 WeakPolarHBondContact O-CB 3.29Å; I588-F591 PolarHBondContact O-N 3.42Å; D589-F591 PolarHBondContact O-N 3.21Å; F591-H593 VanDerWaalsContact C-N 3.27Å; F591-H593 PolarHBondContact O-N 3.35Å; F591-M594 PolarHBondContact O-N 3.36Å; F591-L622 HydrophobicContact CD2-CD1 3.27Å; F591-L622 HydrophobicContact CD2-CD2 4.34Å; F591-L622 HydrophobicContact CD2-CG 4.39Å; F591-L622 HydrophobicContact CE1-CD2 4.29Å; F591-L622 HydrophobicContact CE2-CD1 3.03Å; F591-L622 HydrophobicContact CE2-CD2 3.29Å; F591-L622 HydrophobicContact CE2-CG 3.7Å; F591-L622 HydrophobicContact CG-CD1 4.27Å; F591-L622 HydrophobicContact CZ-CD1 3.84Å; F591-L622 HydrophobicContact CZ-CD2 3.24Å; F591-L622 HydrophobicContact CZ-CG 4.13Å |
| 592 | I | 58.9 | Low | 54.8 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 61% | 0.61 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.1 | -34.5 | 177.2 | -66.3 | 165.6 | 0 | 0 | 0 | 110.8 | I588 D589 | I588-I592 HydrophobicContact CG2-CD1 3.81Å; I588-I592 HydrophobicContact CG2-CG1 4.36Å; I588-I592 WeakPolarHBondContact O-CG1 3.5Å; I588-I592 PolarHBondContact O-N 2.92Å; D589-I592 PolarHBondContact O-N 3.19Å |
| 593 | H | 50.7 | Low | 52.9 | Low | 138 Ų | 138 | 91.1 Ų | 91.1 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 3.5 | -179.1 | -71.9 | 22.2 | 0 | 0 | 0 | 114.6 | D589 F591 D595 | D589-H593 PolarHBondContact O-N 3.17Å; D589-H593 VanDerWaalsContact O-N 3.08Å; F591-H593 VanDerWaalsContact C-N 3.27Å; F591-H593 PolarHBondContact O-N 3.35Å; H593-D595 PolarHBondContact O-N 3.04Å; H593-D595 VanDerWaalsContact O-N 3.11Å |
| 594 | M | 51.1 | Low | 50.9 | Low | 90 Ų | 90 | 94.7 Ų | 94.7 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -71.6 | 103.9 | 170.4 | -87.8 | -91.4 | -178.2 | 0 | 0 | 109.3 | S590 F591 S596 C859 | S590-M594 VanDerWaalsContact O-CG 3.31Å; S590-M594 WeakPolarHBondContact O-CG 2.98Å; S590-M594 PolarHBondContact O-N 3.38Å; F591-M594 PolarHBondContact O-N 3.36Å; M594-S596 PolarHBondContact O-N 3.17Å; M594-C859 WeakPolarHBondContact CE-SG 3.48Å |
| 595 | D | 47.7 | Very low | 49.2 | Very low | 115 Ų | 115 | 98.2 Ų | 98.2 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | trans | -52.4 | 137.5 | 176.4 | -80.1 | -34.6 | 0 | 0 | 0 | 111.8 | H593 I597 V598 | H593-D595 PolarHBondContact O-N 3.04Å; H593-D595 VanDerWaalsContact O-N 3.11Å; D595-I597 PolarHBondContact O-N 3.45Å; D595-V598 PolarHBondContact O-N 2.94Å | ||
| 596 | S | 42.3 | Very low | 47.3 | Very low | 94 Ų | 94 | 102.7 Ų | 102.7 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57 | -22.1 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | M594 V598 M599 T600 | M594-S596 PolarHBondContact O-N 3.17Å; S596-V598 VanDerWaalsContact C-N 3.27Å; S596-V598 PolarHBondContact O-N 3.39Å; S596-M599 WeakPolarHBondContact O-CB 3.31Å; S596-M599 PolarHBondContact O-N 2.95Å; S596-T600 PolarHBondContact O-N 3.48Å; S596-T600 PolarHBondContact O-OG1 2.88Å; S596-T600 VanDerWaalsContact O-OG1 3.09Å |
| 597 | I | 41.8 | Very low | 45.7 | Very low | 115 Ų | 115 | 102.6 Ų | 102.6 | 59% | 0.59 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.8 | -33.2 | 176.2 | -61.3 | 170.4 | 0 | 0 | 0 | 111.8 | D595 M599 T600 S601 | D595-I597 PolarHBondContact O-N 3.45Å; I597-M599 VanDerWaalsContact C-N 3.28Å; I597-M599 PolarHBondContact O-N 3.41Å; I597-T600 PolarHBondContact O-N 2.94Å; I597-S601 WeakPolarHBondContact O-CB 3.35Å; I597-S601 PolarHBondContact O-N 3.29Å; I597-S601 VanDerWaalsContact O-N 3.08Å; I597-S601 PolarHBondContact O-OG 3.17Å; I597-S601 VanDerWaalsContact O-OG 3.14Å |
| 598 | V | 42.9 | Very low | 44.1 | Very low | 62 Ų | 62 | 107.8 Ų | 107.8 | 38% | 0.376 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.9 | -33.8 | 174.7 | -177 | 0 | 0 | 0 | 0 | 110.4 | D595 S596 S601 L602 | D595-V598 PolarHBondContact O-N 2.94Å; S596-V598 VanDerWaalsContact C-N 3.27Å; S596-V598 PolarHBondContact O-N 3.39Å; V598-S601 PolarHBondContact O-OG 3.3Å; V598-L602 PolarHBondContact O-N 2.97Å |
| 599 | M | 36.4 | Very low | 42.5 | Very low | 119 Ų | 119 | 107.1 Ų | 107.1 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71 | -37.8 | 179.4 | -139.8 | -174.4 | -153.3 | 0 | 0 | 112.2 | S596 I597 Y603 | S596-M599 WeakPolarHBondContact O-CB 3.31Å; S596-M599 PolarHBondContact O-N 2.95Å; I597-M599 VanDerWaalsContact C-N 3.28Å; I597-M599 PolarHBondContact O-N 3.41Å; M599-Y603 VanDerWaalsContact O-CD2 3.25Å; M599-Y603 WeakPolarHBondContact O-CD2 3.48Å |
| 600 | T | 34.5 | Very low | 41.2 | Very low | 98 Ų | 98 | 109.1 Ų | 109.1 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.7 | -35.7 | 177.9 | 14.6 | 0 | 0 | 0 | 0 | 113.3 | S596 I597 L602 Y603 | S596-T600 PolarHBondContact O-N 3.48Å; S596-T600 PolarHBondContact O-OG1 2.88Å; S596-T600 VanDerWaalsContact O-OG1 3.09Å; I597-T600 PolarHBondContact O-N 2.94Å; T600-L602 VanDerWaalsContact C-N 3.28Å; T600-L602 PolarHBondContact O-N 3.44Å; T600-Y603 PolarHBondContact O-N 2.9Å |
| 601 | S | 35.7 | Very low | 39.9 | Very low | 59 Ų | 59 | 115.1 Ų | 115.1 | 41% | 0.413 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.7 | -23 | 179.7 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | I597 V598 Y603 S604 | I597-S601 WeakPolarHBondContact O-CB 3.35Å; I597-S601 PolarHBondContact O-N 3.29Å; I597-S601 VanDerWaalsContact O-N 3.08Å; I597-S601 PolarHBondContact O-OG 3.17Å; I597-S601 VanDerWaalsContact O-OG 3.14Å; V598-S601 PolarHBondContact O-OG 3.3Å; S601-Y603 VanDerWaalsContact C-N 3.27Å; S601-Y603 PolarHBondContact O-N 3.41Å; S601-S604 PolarHBondContact O-N 3.02Å; S601-S604 PolarHBondContact O-OG 3.28Å |
| 602 | L | 36.4 | Very low | 38.8 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 59% | 0.586 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -70.2 | -22 | 174.8 | -82.8 | 162.3 | 0 | 0 | 0 | 113.4 | V598 T600 | V598-L602 PolarHBondContact O-N 2.97Å; T600-L602 VanDerWaalsContact C-N 3.28Å; T600-L602 PolarHBondContact O-N 3.44Å |
| 603 | Y | 36.6 | Very low | 37.6 | Very low | 196 Ų | 196 | 118 Ų | 118 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -81.6 | -13.9 | 179.1 | -75.4 | -74 | 0 | 0 | 0 | 114.1 | M599 T600 S601 | M599-Y603 VanDerWaalsContact O-CD2 3.25Å; M599-Y603 WeakPolarHBondContact O-CD2 3.48Å; T600-Y603 PolarHBondContact O-N 2.9Å; S601-Y603 VanDerWaalsContact C-N 3.27Å; S601-Y603 PolarHBondContact O-N 3.41Å |
| 604 | S | 31.5 | Very low | 36.8 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -98 | 8.5 | -173.1 | 66.7 | 0 | 0 | 0 | 0 | 115.4 | S601 | S601-S604 PolarHBondContact O-N 3.02Å; S601-S604 PolarHBondContact O-OG 3.28Å |
| 605 | L | 37.2 | Very low | 36.1 | Very low | 134 Ų | 134 | 120 Ų | 120 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | trans | -97.6 | 128.8 | -173 | -74.1 | 164.6 | 0 | 0 | 0 | 114.5 | ||||
| 606 | N | 32 | Very low | 35.6 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 78% | 0.781 | 62% | 0.622 | S | S | * | * | trans | -58 | 146.2 | -170 | -139 | -3.7 | 0 | 0 | 0 | 114.4 | ||||
| 607 | P | 33.6 | Very low | 35.5 | Very low | 75 Ų | 75 | 115.6 Ų | 115.6 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | trans | -108.2 | 81.3 | -164.4 | 38.4 | -28.1 | 0 | 0 | 0 | 113.6 | ||||
| 608 | I | 34.2 | Very low | 35.5 | Very low | 164 Ų | 164 | 114.4 Ų | 114.4 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -132.4 | -13.2 | 177 | -62.6 | 176.9 | 0 | 0 | 0 | 115.5 | ||
| 609 | G | 31.1 | Very low | 35.3 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -106.4 | -38.2 | -168 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 610 | L | 32.8 | Very low | 35.5 | Very low | 121 Ų | 121 | 113.8 Ų | 113.8 | 63% | 0.634 | 62% | 0.618 | S | S | * | * | trans | -146.4 | 85.2 | -156.3 | -85.9 | 147.7 | 0 | 0 | 0 | 112.7 | F612 L613 R614 | L610-F612 VanDerWaalsContact C-N 3.27Å; L610-F612 PolarHBondContact O-N 3.22Å; L610-L613 HydrophobicContact CB-CB 4.21Å; L610-L613 HydrophobicContact CB-CD1 4.42Å; L610-L613 HydrophobicContact CD1-CD1 4.04Å; L610-L613 HydrophobicContact CD2-CD1 4.03Å; L610-L613 HydrophobicContact CG-CD1 4.38Å; L610-L613 PolarHBondContact O-N 2.62Å; L610-R614 PolarHBondContact O-N 2.93Å | ||
| 611 | K | 31.5 | Very low | 36.1 | Very low | 191 Ų | 191 | 111.9 Ų | 111.9 | 83% | 0.83 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.7 | -31.4 | 176.1 | -118.5 | 177.5 | -179.5 | 178.9 | 0 | 113 | R614 | K611-R614 PolarHBondContact O-N 3.44Å |
| 612 | F | 36 | Very low | 36.6 | Very low | 174 Ų | 174 | 111.9 Ų | 111.9 | 76% | 0.763 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.8 | -34.9 | -179.5 | -168.8 | -102.2 | 0 | 0 | 0 | 112.9 | L610 R614 | L610-F612 VanDerWaalsContact C-N 3.27Å; L610-F612 PolarHBondContact O-N 3.22Å; F612-R614 VanDerWaalsContact C-N 3.34Å |
| 613 | L | 34.5 | Very low | 37.1 | Very low | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.8 | -21.9 | 174.7 | -91.5 | 158.3 | 0 | 0 | 0 | 112.8 | L610 C616 S617 | L610-L613 HydrophobicContact CB-CB 4.21Å; L610-L613 HydrophobicContact CB-CD1 4.42Å; L610-L613 HydrophobicContact CD1-CD1 4.04Å; L610-L613 HydrophobicContact CD2-CD1 4.03Å; L610-L613 HydrophobicContact CG-CD1 4.38Å; L610-L613 PolarHBondContact O-N 2.62Å; L613-C616 PolarHBondContact O-N 2.98Å; L613-S617 PolarHBondContact O-N 3.38Å; L613-S617 PolarHBondContact O-OG 2.92Å |
| 614 | R | 33.5 | Very low | 38 | Very low | 148 Ų | 148 | 103.7 Ų | 103.7 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.7 | -30.9 | 179.4 | -145.5 | 177.7 | -159 | 176 | 4.5 | 113.4 | L610 K611 F612 C616 S617 S618 | L610-R614 PolarHBondContact O-N 2.93Å; K611-R614 PolarHBondContact O-N 3.44Å; F612-R614 VanDerWaalsContact C-N 3.34Å; R614-C616 VanDerWaalsContact C-N 3.32Å; R614-S617 WeakPolarHBondContact CA-OG 3.36Å; R614-S617 PolarHBondContact O-N 3.08Å; R614-S617 PolarHBondContact O-OG 3.34Å; R614-S618 WeakPolarHBondContact O-CB 3.28Å; R614-S618 PolarHBondContact O-N 2.8Å; R614-S618 PolarHBondContact O-OG 3.37Å |
| 615 | I | 36.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 103.4 Ų | 103.4 | 62% | 0.615 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68 | -36.2 | 174.2 | -64.1 | 173.9 | 0 | 0 | 0 | 110.3 | S618 | I615-S618 PolarHBondContact O-OG 2.84Å |
| 616 | C | 35.7 | Very low | 39.9 | Very low | 42 Ų | 42 | 98.9 Ų | 98.9 | 28% | 0.284 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.3 | -26.4 | 173.7 | -70.9 | 0 | 0 | 0 | 0 | 113.4 | L613 R614 | L613-C616 PolarHBondContact O-N 2.98Å; R614-C616 VanDerWaalsContact C-N 3.32Å |
| 617 | S | 41.8 | Very low | 41.3 | Very low | 75 Ų | 75 | 97.3 Ų | 97.3 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -90.2 | -13 | 178.8 | 74.7 | 0 | 0 | 0 | 0 | 114.5 | L613 R614 L619 | L613-S617 PolarHBondContact O-N 3.38Å; L613-S617 PolarHBondContact O-OG 2.92Å; R614-S617 WeakPolarHBondContact CA-OG 3.36Å; R614-S617 PolarHBondContact O-N 3.08Å; R614-S617 PolarHBondContact O-OG 3.34Å; S617-L619 CarbonylContact C-O 3.54Å |
| 618 | S | 40 | Very low | 42.7 | Very low | 91 Ų | 91 | 97 Ų | 97 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -82.8 | -16.9 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | R614 I615 | R614-S618 WeakPolarHBondContact O-CB 3.28Å; R614-S618 PolarHBondContact O-N 2.8Å; R614-S618 PolarHBondContact O-OG 3.37Å; I615-S618 PolarHBondContact O-OG 2.84Å |
| 619 | L | 39.4 | Very low | 44.1 | Very low | 95 Ų | 95 | 91.1 Ų | 91.1 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -75.7 | 134.4 | 153.7 | -82.8 | 87.1 | 0 | 0 | 0 | 106.2 | S617 C621 | S617-L619 CarbonylContact C-O 3.54Å; L619-C621 PolarHBondContact O-N 2.91Å |
| 620 | P | 40.2 | Very low | 45.8 | Very low | 72 Ų | 72 | 92.6 Ų | 92.6 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | trans | -46.4 | 124.7 | 170.9 | 18.6 | -27.5 | 0 | 0 | 0 | 106.4 | L622 P623 | P620-L622 PolarHBondContact O-N 3.32Å; P620-P623 HydrophobicContact CG-CG 3.9Å; P620-P623 WeakPolarHBondContact O-CD 3.27Å; P620-P623 WeakPolarHBondContact O-CG 3.34Å | ||
| 621 | C | 47.1 | Very low | 47.3 | Very low | 58 Ų | 58 | 88.9 Ų | 88.9 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.5 | -16.6 | -167.8 | -154 | 0 | 0 | 0 | 0 | 112.3 | L619 M625 | L619-C621 PolarHBondContact O-N 2.91Å; C621-M625 WeakPolarHBondContact O-CB 3.33Å; C621-M625 VanDerWaalsContact O-CG 3.24Å; C621-M625 WeakPolarHBondContact O-CG 3.09Å; C621-M625 PolarHBondContact O-N 2.89Å |
| 622 | L | 47.4 | Very low | 49 | Very low | 59 Ų | 59 | 82.9 Ų | 82.9 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -62.3 | 178.8 | -176.6 | 62.1 | 0 | 0 | 0 | 114.6 | F591 P620 F624 M625 T626 | F591-L622 HydrophobicContact CD2-CD1 3.27Å; F591-L622 HydrophobicContact CD2-CD2 4.34Å; F591-L622 HydrophobicContact CD2-CG 4.39Å; F591-L622 HydrophobicContact CE1-CD2 4.29Å; F591-L622 HydrophobicContact CE2-CD1 3.03Å; F591-L622 HydrophobicContact CE2-CD2 3.29Å; F591-L622 HydrophobicContact CE2-CG 3.7Å; F591-L622 HydrophobicContact CG-CD1 4.27Å; F591-L622 HydrophobicContact CZ-CD1 3.84Å; F591-L622 HydrophobicContact CZ-CD2 3.24Å; F591-L622 HydrophobicContact CZ-CG 4.13Å; P620-L622 PolarHBondContact O-N 3.32Å; L622-F624 PolarHBondContact O-N 3.42Å; L622-M625 PolarHBondContact O-N 3.39Å; L622-M625 VanDerWaalsContact O-N 3.16Å; L622-T626 HydrophobicContact CD1-CG2 4.14Å; L622-T626 WeakPolarHBondContact O-CG2 3.48Å; L622-T626 PolarHBondContact O-N 2.84Å; L622-T626 PolarHBondContact O-OG1 3.03Å; L622-T626 VanDerWaalsContact O-OG1 3.13Å |
| 623 | P | 46.7 | Very low | 50.6 | Low | 57 Ų | 57 | 75.7 Ų | 75.7 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.9 | -32.8 | 176.5 | 11.1 | -28.1 | 0 | 0 | 0 | 114.4 | P620 T626 L627 | P620-P623 HydrophobicContact CG-CG 3.9Å; P620-P623 WeakPolarHBondContact O-CD 3.27Å; P620-P623 WeakPolarHBondContact O-CG 3.34Å; P623-T626 VanDerWaalsContact CA-OG1 3.22Å; P623-T626 WeakPolarHBondContact CA-OG1 3.31Å; P623-T626 PolarHBondContact O-OG1 3.3Å; P623-L627 WeakPolarHBondContact O-CB 3.22Å; P623-L627 PolarHBondContact O-N 3.01Å |
| 624 | F | 54.3 | Low | 52.2 | Low | 80 Ų | 80 | 75.7 Ų | 75.7 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.8 | -42.3 | 176.9 | -176.7 | -98.9 | 0 | 0 | 0 | 112 | L622 L627 L628 | L622-F624 PolarHBondContact O-N 3.42Å; F624-L627 PolarHBondContact O-N 3.26Å; F624-L628 VanDerWaalsContact O-CB 3.25Å; F624-L628 WeakPolarHBondContact O-CB 3.41Å; F624-L628 PolarHBondContact O-N 3.05Å |
| 625 | M | 54.6 | Low | 53.9 | Low | 91 Ų | 91 | 73.9 Ų | 73.9 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 177.8 | -68.6 | -64.1 | 169.8 | 0 | 0 | 112.1 | C621 L622 L628 Y629 | C621-M625 WeakPolarHBondContact O-CB 3.33Å; C621-M625 VanDerWaalsContact O-CG 3.24Å; C621-M625 WeakPolarHBondContact O-CG 3.09Å; C621-M625 PolarHBondContact O-N 2.89Å; L622-M625 PolarHBondContact O-N 3.39Å; L622-M625 VanDerWaalsContact O-N 3.16Å; M625-L628 PolarHBondContact O-N 3.03Å; M625-L628 HydrophobicContact SD-CD2 4.49Å; M625-Y629 VanDerWaalsContact O-CB 3.24Å; M625-Y629 WeakPolarHBondContact O-CB 3.43Å; M625-Y629 PolarHBondContact O-N 2.7Å |
| 626 | T | 55.8 | Low | 55.5 | Low | 40 Ų | 40 | 69.1 Ų | 69.1 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 172 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | F587 L622 P623 Y629 L630 | F587-T626 HydrophobicContact CE1-CG2 3.51Å; F587-T626 HydrophobicContact CZ-CG2 3.39Å; L622-T626 HydrophobicContact CD1-CG2 4.14Å; L622-T626 WeakPolarHBondContact O-CG2 3.48Å; L622-T626 PolarHBondContact O-N 2.84Å; L622-T626 PolarHBondContact O-OG1 3.03Å; L622-T626 VanDerWaalsContact O-OG1 3.13Å; P623-T626 VanDerWaalsContact CA-OG1 3.22Å; P623-T626 WeakPolarHBondContact CA-OG1 3.31Å; P623-T626 PolarHBondContact O-OG1 3.3Å; T626-Y629 PolarHBondContact O-N 2.72Å; T626-L630 WeakPolarHBondContact O-CB 3.26Å; T626-L630 VanDerWaalsContact O-CG 3.25Å; T626-L630 WeakPolarHBondContact O-CG 3.29Å; T626-L630 PolarHBondContact O-N 3.34Å |
| 627 | L | 61.6 | Low | 57.2 | Low | 112 Ų | 112 | 72.7 Ų | 72.7 | 59% | 0.586 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 177.8 | -172.6 | 74.6 | 0 | 0 | 0 | 111.5 | P623 F624 L630 S631 | P623-L627 WeakPolarHBondContact O-CB 3.22Å; P623-L627 PolarHBondContact O-N 3.01Å; F624-L627 PolarHBondContact O-N 3.26Å; L627-L630 PolarHBondContact O-N 3.3Å; L627-S631 VanDerWaalsContact O-CB 3.23Å; L627-S631 WeakPolarHBondContact O-CB 3.49Å; L627-S631 PolarHBondContact O-N 2.95Å; L627-S631 PolarHBondContact O-OG 2.92Å |
| 628 | L | 62.2 | Low | 58.5 | Low | 69 Ų | 69 | 72.5 Ų | 72.5 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.4 | 179.8 | 64.6 | 0 | 0 | 0 | 110.8 | F624 M625 S631 I632 | F624-L628 VanDerWaalsContact O-CB 3.25Å; F624-L628 WeakPolarHBondContact O-CB 3.41Å; F624-L628 PolarHBondContact O-N 3.05Å; M625-L628 PolarHBondContact O-N 3.03Å; M625-L628 HydrophobicContact SD-CD2 4.49Å; L628-S631 WeakPolarHBondContact CA-OG 3.27Å; L628-S631 PolarHBondContact O-N 3.29Å; L628-S631 PolarHBondContact O-OG 3.25Å; L628-I632 HydrophobicContact CD1-CD1 4.3Å; L628-I632 HydrophobicContact CG-CD1 4.06Å; L628-I632 VanDerWaalsContact O-CG1 3.28Å; L628-I632 WeakPolarHBondContact O-CG1 3.44Å; L628-I632 PolarHBondContact O-N 2.97Å |
| 629 | Y | 63.4 | Low | 60 | Low | 40 Ų | 40 | 70.7 Ų | 70.7 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 179 | 173.3 | -95.4 | 0 | 0 | 0 | 112.3 | I583 V584 F587 M625 T626 S631 I632 M633 | I583-Y629 VanDerWaalsContact C-OH 3.23Å; I583-Y629 WeakPolarHBondContact CB-OH 3.41Å; I583-Y629 HydrophobicContact CG2-CE2 3.56Å; I583-Y629 WeakPolarHBondContact CG2-OH 3.22Å; I583-Y629 PolarHBondContact O-OH 2.85Å; V584-Y629 HydrophobicContact CG2-CE1 4.31Å; V584-Y629 PolarHBondContact N-OH 3.4Å; F587-Y629 HydrophobicContact CB-CE1 4.35Å; F587-Y629 HydrophobicContact CD2-CD1 4.21Å; F587-Y629 HydrophobicContact CD2-CD2 4.5Å; F587-Y629 HydrophobicContact CD2-CG 4.11Å; F587-Y629 HydrophobicContact CG-CD1 4.3Å; F587-Y629 HydrophobicContact CG-CE1 4.49Å; M625-Y629 VanDerWaalsContact O-CB 3.24Å; M625-Y629 WeakPolarHBondContact O-CB 3.43Å; M625-Y629 PolarHBondContact O-N 2.7Å; T626-Y629 PolarHBondContact O-N 2.72Å; Y629-S631 VanDerWaalsContact C-N 3.3Å; Y629-S631 PolarHBondContact O-N 3.31Å; Y629-I632 PolarHBondContact O-N 3.34Å; Y629-M633 HydrophobicContact CD1-CG 4.41Å; Y629-M633 HydrophobicContact CE1-CG 3.78Å; Y629-M633 HydrophobicContact CE2-CG 4.11Å; Y629-M633 WeakPolarHBondContact O-CG 3.3Å; Y629-M633 PolarHBondContact O-N 2.95Å; Y629-M633 PolarHBondContact OH-SD 3.18Å; Y629-M633 VanDerWaalsContact OH-SD 3.41Å |
| 630 | L | 66.5 | Low | 61.5 | Low | 104 Ų | 104 | 66.2 Ų | 66.2 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 173.1 | -73.8 | 168.3 | 0 | 0 | 0 | 111.4 | T626 L627 I632 M633 L634 | T626-L630 WeakPolarHBondContact O-CB 3.26Å; T626-L630 VanDerWaalsContact O-CG 3.25Å; T626-L630 WeakPolarHBondContact O-CG 3.29Å; T626-L630 PolarHBondContact O-N 3.34Å; L627-L630 PolarHBondContact O-N 3.3Å; L630-I632 VanDerWaalsContact C-N 3.35Å; L630-M633 PolarHBondContact O-N 2.84Å; L630-L634 VanDerWaalsContact O-CB 3.31Å; L630-L634 WeakPolarHBondContact O-CB 3.46Å; L630-L634 PolarHBondContact O-N 2.85Å |
| 631 | S | 64.3 | Low | 63 | Low | 43 Ų | 43 | 68.1 Ų | 68.1 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 175.8 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | L627 L628 Y629 L634 L635 | L627-S631 VanDerWaalsContact O-CB 3.23Å; L627-S631 WeakPolarHBondContact O-CB 3.49Å; L627-S631 PolarHBondContact O-N 2.95Å; L627-S631 PolarHBondContact O-OG 2.92Å; L628-S631 WeakPolarHBondContact CA-OG 3.27Å; L628-S631 PolarHBondContact O-N 3.29Å; L628-S631 PolarHBondContact O-OG 3.25Å; Y629-S631 VanDerWaalsContact C-N 3.3Å; Y629-S631 PolarHBondContact O-N 3.31Å; S631-L634 PolarHBondContact O-N 3.47Å; S631-L635 VanDerWaalsContact O-CB 3.29Å; S631-L635 WeakPolarHBondContact O-CB 3.39Å; S631-L635 WeakPolarHBondContact O-CG 3.39Å; S631-L635 PolarHBondContact O-N 2.96Å |
| 632 | I | 67.8 | Low | 64.1 | Low | 65 Ų | 65 | 68.2 Ų | 68.2 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 174.3 | -70 | 164.6 | 0 | 0 | 0 | 110.1 | L628 Y629 L630 L634 L635 F636 | L628-I632 HydrophobicContact CD1-CD1 4.3Å; L628-I632 HydrophobicContact CG-CD1 4.06Å; L628-I632 VanDerWaalsContact O-CG1 3.28Å; L628-I632 WeakPolarHBondContact O-CG1 3.44Å; L628-I632 PolarHBondContact O-N 2.97Å; Y629-I632 PolarHBondContact O-N 3.34Å; L630-I632 VanDerWaalsContact C-N 3.35Å; I632-L634 VanDerWaalsContact C-N 3.32Å; I632-L634 PolarHBondContact O-N 3.5Å; I632-L635 PolarHBondContact O-N 3.43Å; I632-F636 WeakPolarHBondContact O-CB 3.48Å; I632-F636 PolarHBondContact O-N 2.96Å |
| 633 | M | 69.2 | Low | 65.3 | Low | 23 Ų | 23 | 65.8 Ų | 65.8 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 175.8 | -75.8 | -81.5 | 93.4 | 0 | 0 | 112.3 | Q580 I583 Y629 L630 F636 R637 | Q580-M633 HydrophobicContact CB-SD 4.36Å; Q580-M633 HydrophobicContact CG-SD 3.9Å; I583-M633 HydrophobicContact CB-SD 4.48Å; I583-M633 HydrophobicContact CD1-CE 3.56Å; I583-M633 HydrophobicContact CD1-SD 3.91Å; Y629-M633 HydrophobicContact CD1-CG 4.41Å; Y629-M633 HydrophobicContact CE1-CG 3.78Å; Y629-M633 HydrophobicContact CE2-CG 4.11Å; Y629-M633 WeakPolarHBondContact O-CG 3.3Å; Y629-M633 PolarHBondContact O-N 2.95Å; Y629-M633 PolarHBondContact OH-SD 3.18Å; Y629-M633 VanDerWaalsContact OH-SD 3.41Å; L630-M633 PolarHBondContact O-N 2.84Å; M633-F636 HydrophobicContact CE-CB 4.49Å; M633-F636 HydrophobicContact CE-CD1 3.93Å; M633-F636 HydrophobicContact CE-CG 4.42Å; M633-R637 WeakPolarHBondContact O-CB 3.37Å; M633-R637 PolarHBondContact O-N 3.31Å |
| 634 | L | 68.6 | Low | 66.8 | Low | 105 Ų | 105 | 63.4 Ų | 63.4 | 55% | 0.55 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -48.4 | 175.2 | -177.1 | 67.7 | 0 | 0 | 0 | 111 | L630 S631 I632 F636 R637 L638 | L630-L634 VanDerWaalsContact O-CB 3.31Å; L630-L634 WeakPolarHBondContact O-CB 3.46Å; L630-L634 PolarHBondContact O-N 2.85Å; S631-L634 PolarHBondContact O-N 3.47Å; I632-L634 VanDerWaalsContact C-N 3.32Å; I632-L634 PolarHBondContact O-N 3.5Å; L634-F636 VanDerWaalsContact C-N 3.29Å; L634-F636 PolarHBondContact O-N 3.39Å; L634-R637 PolarHBondContact O-N 3.34Å; L634-L638 HydrophobicContact CD1-CD1 4.43Å; L634-L638 HydrophobicContact CD1-CG 4.46Å; L634-L638 HydrophobicContact CG-CD1 4.01Å; L634-L638 HydrophobicContact CG-CG 4.43Å; L634-L638 WeakPolarHBondContact O-CB 3.24Å; L634-L638 VanDerWaalsContact O-CG 3.27Å; L634-L638 WeakPolarHBondContact O-CG 3.39Å; L634-L638 PolarHBondContact O-N 3.49Å |
| 635 | L | 68 | Low | 68 | Low | 110 Ų | 110 | 60.3 Ų | 60.3 | 58% | 0.576 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60 | -43.3 | 175.6 | -75 | 170.9 | 0 | 0 | 0 | 110.6 | S631 I632 R637 L638 F639 | S631-L635 VanDerWaalsContact O-CB 3.29Å; S631-L635 WeakPolarHBondContact O-CB 3.39Å; S631-L635 WeakPolarHBondContact O-CG 3.39Å; S631-L635 PolarHBondContact O-N 2.96Å; I632-L635 PolarHBondContact O-N 3.43Å; L635-R637 PolarHBondContact O-N 2.86Å; L635-L638 PolarHBondContact O-N 3.19Å; L635-F639 WeakPolarHBondContact O-CA 3.44Å; L635-F639 WeakPolarHBondContact O-CB 3.33Å; L635-F639 PolarHBondContact O-N 3.16Å |
| 636 | F | 70.2 | Confident | 69.1 | Low | 21 Ų | 21 | 56.7 Ų | 56.7 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 175 | -176.5 | -114.8 | 0 | 0 | 0 | 111.6 | L576 I632 M633 L634 F639 I640 I844 I848 | L576-F636 HydrophobicContact CD1-CD1 4.31Å; L576-F636 HydrophobicContact CD1-CE1 3.91Å; I632-F636 WeakPolarHBondContact O-CB 3.48Å; I632-F636 PolarHBondContact O-N 2.96Å; M633-F636 HydrophobicContact CE-CB 4.49Å; M633-F636 HydrophobicContact CE-CD1 3.93Å; M633-F636 HydrophobicContact CE-CG 4.42Å; L634-F636 VanDerWaalsContact C-N 3.29Å; L634-F636 PolarHBondContact O-N 3.39Å; F636-F639 PolarHBondContact O-N 3.37Å; F636-I640 HydrophobicContact CD1-CD1 3.89Å; F636-I640 HydrophobicContact CD2-CD1 3.82Å; F636-I640 HydrophobicContact CD2-CG1 4.14Å; F636-I640 HydrophobicContact CE1-CD1 3.36Å; F636-I640 HydrophobicContact CE2-CD1 3.24Å; F636-I640 HydrophobicContact CE2-CG1 3.92Å; F636-I640 HydrophobicContact CG-CD1 4.12Å; F636-I640 HydrophobicContact CZ-CD1 3.03Å; F636-I640 HydrophobicContact CZ-CG1 4.17Å; F636-I640 VanDerWaalsContact O-CG1 3.31Å; F636-I640 WeakPolarHBondContact O-CG1 3.35Å; F636-I640 PolarHBondContact O-N 3.43Å; F636-I844 HydrophobicContact CE2-CD1 4.21Å; F636-I844 HydrophobicContact CE2-CG1 4.23Å; F636-I844 HydrophobicContact CE2-CG2 3.52Å; F636-I844 HydrophobicContact CZ-CG2 4.14Å; F636-I848 HydrophobicContact CE2-CD1 3.6Å; F636-I848 HydrophobicContact CZ-CD1 3.56Å |
| 637 | R | 72.2 | Confident | 70.1 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 175.5 | -176 | -178.4 | -86.6 | -161.7 | -1.5 | 111.8 | L576 M633 L634 L635 F639 R641 | L576-R637 HydrophobicContact CD2-CG 4.32Å; M633-R637 WeakPolarHBondContact O-CB 3.37Å; M633-R637 PolarHBondContact O-N 3.31Å; L634-R637 PolarHBondContact O-N 3.34Å; L635-R637 PolarHBondContact O-N 2.86Å; R637-F639 PolarHBondContact O-N 2.86Å; R637-R641 VanDerWaalsContact O-CB 3.29Å; R637-R641 WeakPolarHBondContact O-CB 3.24Å; R637-R641 PolarHBondContact O-N 3.24Å |
| 638 | L | 69.1 | Low | 70.5 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 179.4 | -72.2 | 172.4 | 0 | 0 | 0 | 111.7 | L634 L635 | L634-L638 HydrophobicContact CD1-CD1 4.43Å; L634-L638 HydrophobicContact CD1-CG 4.46Å; L634-L638 HydrophobicContact CG-CD1 4.01Å; L634-L638 HydrophobicContact CG-CG 4.43Å; L634-L638 WeakPolarHBondContact O-CB 3.24Å; L634-L638 VanDerWaalsContact O-CG 3.27Å; L634-L638 WeakPolarHBondContact O-CG 3.39Å; L634-L638 PolarHBondContact O-N 3.49Å; L635-L638 PolarHBondContact O-N 3.19Å |
| 639 | F | 70.7 | Confident | 71 | Confident | 54 Ų | 54 | 53 Ų | 53 | 24% | 0.237 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.3 | -51.2 | -178.8 | -177.3 | -92.6 | 0 | 0 | 0 | 111.9 | L635 F636 R637 R641 Q642 F643 W840 I844 | L635-F639 WeakPolarHBondContact O-CA 3.44Å; L635-F639 WeakPolarHBondContact O-CB 3.33Å; L635-F639 PolarHBondContact O-N 3.16Å; F636-F639 PolarHBondContact O-N 3.37Å; R637-F639 PolarHBondContact O-N 2.86Å; F639-R641 PolarHBondContact O-N 2.69Å; F639-Q642 VanDerWaalsContact O-CB 3.23Å; F639-Q642 WeakPolarHBondContact O-CB 3.3Å; F639-Q642 PolarHBondContact O-N 3.45Å; F639-F643 AromaticContact CD1-CE2 3.84Å; F639-F643 HydrophobicContact CD1-CE2 3.84Å; F639-F643 HydrophobicContact CD2-CE2 4.46Å; F639-F643 HydrophobicContact CE1-CD2 4.17Å; F639-F643 AromaticContact CE1-CE2 3.27Å; F639-F643 HydrophobicContact CE1-CE2 3.27Å; F639-F643 AromaticContact CE1-CZ 3.89Å; F639-F643 HydrophobicContact CE1-CZ 3.89Å; F639-F643 AromaticContact CE2-CE2 3.97Å; F639-F643 HydrophobicContact CE2-CE2 3.97Å; F639-F643 HydrophobicContact CE2-CZ 4.22Å; F639-F643 HydrophobicContact CG-CE2 4.39Å; F639-F643 AromaticContact CZ-CE2 3.31Å; F639-F643 HydrophobicContact CZ-CE2 3.31Å; F639-F643 AromaticContact CZ-CZ 3.53Å; F639-F643 HydrophobicContact CZ-CZ 3.53Å; F639-F643 WeakPolarHBondContact O-CD2 3.41Å; F639-F643 WeakPolarHBondContact O-CE2 3.45Å; F639-W840 HydrophobicContact CE1-CB 4.01Å; F639-W840 HydrophobicContact CE1-CD2 4.23Å; F639-W840 HydrophobicContact CE1-CE3 4.22Å; F639-W840 HydrophobicContact CE1-CG 4.23Å; F639-W840 HydrophobicContact CE2-CD2 4.03Å; F639-W840 AromaticContact CE2-CE2 3.85Å; F639-W840 HydrophobicContact CE2-CE3 4.14Å; F639-W840 AromaticContact CE2-CH2 3.88Å; F639-W840 HydrophobicContact CE2-CH2 3.88Å; F639-W840 AromaticContact CE2-CZ2 3.71Å; F639-W840 HydrophobicContact CE2-CZ2 3.71Å; F639-W840 HydrophobicContact CE2-CZ3 4.12Å; F639-W840 HydrophobicContact CZ-CB 3.82Å; F639-W840 AromaticContact CZ-CD2 3.3Å; F639-W840 HydrophobicContact CZ-CD2 3.3Å; F639-W840 AromaticContact CZ-CE2 3.57Å; F639-W840 AromaticContact CZ-CE3 3.47Å; F639-W840 HydrophobicContact CZ-CE3 3.47Å; F639-W840 VanDerWaalsContact CZ-CE3 3.47Å; F639-W840 AromaticContact CZ-CG 3.54Å; F639-W840 HydrophobicContact CZ-CG 3.54Å; F639-W840 HydrophobicContact CZ-CH2 4.05Å; F639-W840 AromaticContact CZ-CZ2 3.88Å; F639-W840 HydrophobicContact CZ-CZ2 3.88Å; F639-W840 AromaticContact CZ-CZ3 3.89Å; F639-W840 HydrophobicContact CZ-CZ3 3.89Å; F639-I844 HydrophobicContact CD1-CD1 3.66Å; F639-I844 HydrophobicContact CD1-CG1 4.49Å; F639-I844 HydrophobicContact CE1-CD1 3.49Å; F639-I844 VanDerWaalsContact CE1-CD1 3.49Å; F639-I844 HydrophobicContact CE1-CG1 4.25Å |
| 640 | I | 71.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -33.7 | 177.9 | -63.5 | -178 | 0 | 0 | 0 | 110.8 | F572 L576 F636 Q642 F643 I844 L893 I897 | F572-I640 HydrophobicContact CE2-CG2 3.42Å; F572-I640 VanDerWaalsContact CE2-CG2 3.42Å; F572-I640 HydrophobicContact CZ-CB 4.32Å; F572-I640 HydrophobicContact CZ-CG2 3.32Å; L576-I640 HydrophobicContact CD1-CD1 4.21Å; F636-I640 HydrophobicContact CD1-CD1 3.89Å; F636-I640 HydrophobicContact CD2-CD1 3.82Å; F636-I640 HydrophobicContact CD2-CG1 4.14Å; F636-I640 HydrophobicContact CE1-CD1 3.36Å; F636-I640 HydrophobicContact CE2-CD1 3.24Å; F636-I640 HydrophobicContact CE2-CG1 3.92Å; F636-I640 HydrophobicContact CG-CD1 4.12Å; F636-I640 HydrophobicContact CZ-CD1 3.03Å; F636-I640 HydrophobicContact CZ-CG1 4.17Å; F636-I640 VanDerWaalsContact O-CG1 3.31Å; F636-I640 WeakPolarHBondContact O-CG1 3.35Å; F636-I640 PolarHBondContact O-N 3.43Å; I640-Q642 PolarHBondContact O-N 3.42Å; I640-F643 PolarHBondContact O-N 3.32Å; I640-I844 HydrophobicContact CG1-CD1 4.07Å; I640-L893 HydrophobicContact CD1-CD2 4.24Å; I640-I897 HydrophobicContact CD1-CD1 3.98Å; I640-I897 HydrophobicContact CG1-CD1 4.44Å; I640-I897 HydrophobicContact CG2-CD1 3.79Å; I640-I897 HydrophobicContact CG2-CG1 3.67Å; I640-I897 HydrophobicContact CG2-CG2 4.48Å |
| 641 | R | 71.3 | Confident | 71.4 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -51.7 | -29 | 173.2 | -175.8 | 179.2 | 65.9 | 161.9 | 2.1 | 113.2 | R637 F639 F643 | R637-R641 VanDerWaalsContact O-CB 3.29Å; R637-R641 WeakPolarHBondContact O-CB 3.24Å; R637-R641 PolarHBondContact O-N 3.24Å; F639-R641 PolarHBondContact O-N 2.69Å; R641-F643 PolarHBondContact O-N 2.95Å |
| 642 | Q | 72.2 | Confident | 71.3 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -67.7 | -22.1 | 178.2 | -63.6 | -89.1 | -6.5 | 0 | 0 | 113.4 | F639 I640 R657 L664 | F639-Q642 VanDerWaalsContact O-CB 3.23Å; F639-Q642 WeakPolarHBondContact O-CB 3.3Å; F639-Q642 PolarHBondContact O-N 3.45Å; I640-Q642 PolarHBondContact O-N 3.42Å; Q642-R657 VanDerWaalsContact O-CD 3.28Å; Q642-R657 WeakPolarHBondContact O-CD 3.45Å; Q642-R657 PolarHBondContact O-NE 3.05Å; Q642-L664 WeakPolarHBondContact O-CD2 3.48Å |
| 643 | F | 72.5 | Confident | 71.1 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -105.1 | -4 | -173.8 | -58.2 | -84.2 | 0 | 0 | 0 | 113.4 | F639 I640 R641 I645 L664 H837 W840 I897 | F639-F643 AromaticContact CD1-CE2 3.84Å; F639-F643 HydrophobicContact CD1-CE2 3.84Å; F639-F643 HydrophobicContact CD2-CE2 4.46Å; F639-F643 HydrophobicContact CE1-CD2 4.17Å; F639-F643 AromaticContact CE1-CE2 3.27Å; F639-F643 HydrophobicContact CE1-CE2 3.27Å; F639-F643 AromaticContact CE1-CZ 3.89Å; F639-F643 HydrophobicContact CE1-CZ 3.89Å; F639-F643 AromaticContact CE2-CE2 3.97Å; F639-F643 HydrophobicContact CE2-CE2 3.97Å; F639-F643 HydrophobicContact CE2-CZ 4.22Å; F639-F643 HydrophobicContact CG-CE2 4.39Å; F639-F643 AromaticContact CZ-CE2 3.31Å; F639-F643 HydrophobicContact CZ-CE2 3.31Å; F639-F643 AromaticContact CZ-CZ 3.53Å; F639-F643 HydrophobicContact CZ-CZ 3.53Å; F639-F643 WeakPolarHBondContact O-CD2 3.41Å; F639-F643 WeakPolarHBondContact O-CE2 3.45Å; I640-F643 PolarHBondContact O-N 3.32Å; R641-F643 PolarHBondContact O-N 2.95Å; F643-I645 PolarHBondContact O-N 3.41Å; F643-L664 HydrophobicContact CD1-CD2 3.74Å; F643-L664 HydrophobicContact CE1-CD2 3.79Å; F643-L664 HydrophobicContact CG-CD2 4.42Å; F643-L664 HydrophobicContact CZ-CD2 4.47Å; F643-H837 HydrophobicContact CD1-CB 4.16Å; F643-H837 AromaticContact CD1-CD2 3.98Å; F643-H837 HydrophobicContact CE1-CB 3.92Å; F643-H837 VanDerWaalsContact CE1-O 3.25Å; F643-H837 WeakPolarHBondContact CE1-O 3.29Å; F643-W840 HydrophobicContact CE1-CB 4.12Å; F643-W840 AromaticContact CE1-CD1 3.61Å; F643-W840 HydrophobicContact CE1-CG 4.17Å; F643-W840 HydrophobicContact CE2-CB 4.37Å; F643-W840 HydrophobicContact CZ-CB 3.75Å; F643-W840 AromaticContact CZ-CD1 3.31Å; F643-W840 AromaticContact CZ-CG 3.66Å; F643-W840 HydrophobicContact CZ-CG 3.66Å; F643-W840 AromaticContact CZ-NE1 3.9Å; F643-I897 HydrophobicContact CB-CG2 3.9Å; F643-I897 HydrophobicContact CG-CG2 4.3Å |
| 644 | L | 77.1 | Confident | 70.6 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 118.6 | 179.4 | 178.6 | 64.6 | 0 | 0 | 0 | 110.3 | F572 H573 C656 R657 | F572-L644 HydrophobicContact CB-CD1 3.77Å; F572-L644 HydrophobicContact CD1-CB 4.48Å; F572-L644 HydrophobicContact CD1-CD1 3.7Å; F572-L644 HydrophobicContact CD1-CD2 3.47Å; F572-L644 VanDerWaalsContact CD1-CD2 3.47Å; F572-L644 HydrophobicContact CD1-CG 4.07Å; F572-L644 HydrophobicContact CD2-CD1 3.9Å; F572-L644 HydrophobicContact CE1-CB 4.25Å; F572-L644 HydrophobicContact CE1-CD1 4.28Å; F572-L644 HydrophobicContact CE1-CD2 3.73Å; F572-L644 HydrophobicContact CE1-CG 4.31Å; F572-L644 HydrophobicContact CE2-CD1 4.43Å; F572-L644 HydrophobicContact CG-CD1 3.49Å; F572-L644 VanDerWaalsContact CG-CD1 3.49Å; F572-L644 HydrophobicContact CG-CD2 4.17Å; F572-L644 HydrophobicContact CG-CG 4.35Å; F572-L644 HydrophobicContact CZ-CB 4.36Å; H573-L644 WeakPolarHBondContact NE2-CD2 3.45Å; L644-C656 HydrophobicContact CD2-CB 3.71Å; L644-C656 HydrophobicContact CG-CB 3.88Å; L644-R657 PolarHBondContact O-N 2.86Å |
| 645 | I | 78.9 | Confident | 70.7 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -84.5 | 131 | 170.7 | -57.6 | -172.6 | 0 | 0 | 0 | 109.2 | F643 R657 I659 T665 G899 Q901 | F643-I645 PolarHBondContact O-N 3.41Å; I645-R657 CarbonylContact C-O 3.59Å; I645-R657 WeakPolarHBondContact CA-O 3.42Å; I645-I659 HydrophobicContact CG2-CB 3.98Å; I645-I659 HydrophobicContact CG2-CG1 4.5Å; I645-T665 HydrophobicContact CD1-CG2 4.12Å; I645-T665 HydrophobicContact CG1-CG2 3.88Å; I645-G899 WeakPolarHBondContact CD1-O 3.49Å; I645-Q901 PolarHBondContact O-NE2 2.8Å |
| 646 | C | 77.9 | Confident | 71.2 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 133.2 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | L650 C656 R657 | C646-L650 HydrophobicContact CB-CB 4.38Å; C646-C656 WeakPolarHBondContact CA-SG 3.49Å; C646-C656 HydrophobicContact CB-CB 3.95Å; C646-C656 WeakPolarHBondContact CB-SG 3.43Å; C646-C656 WeakPolarHBondContact SG-CB 3.2Å; C646-C656 PolarHBondContact SG-O 3.16Å; C646-C656 VanDerWaalsContact SG-O 3.39Å; C646-C656 CovalentContact SG-SG 2.02Å; C646-C656 PolarHBondContact SG-SG 3.03Å; C646-R657 PolarHBondContact N-O 3.28Å; C646-R657 PolarHBondContact SG-O 3.03Å |
| 647 | R | 78.1 | Confident | 71.4 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 156.7 | 163 | -64.9 | -178.7 | 55.4 | 137.8 | 8.6 | 110.2 | E649 L650 Q901 | R647-E649 WeakPolarHBondContact CB-OE2 3.4Å; R647-E649 IonicContact CZ-OE1 3.82Å; R647-E649 IonicContact CZ-OE2 3.48Å; R647-E649 IonicContact NE-OE1 3.54Å; R647-E649 IonicContact NE-OE2 2.63Å; R647-E649 PolarHBondContact NE-OE2 3.45Å; R647-E649 IonicContact NH2-OE1 3.75Å; R647-E649 PolarHBondContact NH2-OE1 2.74Å; R647-E649 IonicContact NH2-OE2 3.41Å; R647-E649 PolarHBondContact NH2-OE2 3.25Å; R647-E649 PolarHBondContact O-N 3.43Å; R647-L650 WeakPolarHBondContact O-CB 3.39Å; R647-L650 PolarHBondContact O-N 2.7Å; R647-Q901 HydrophobicContact CG-CB 4.5Å; R647-Q901 HydrophobicContact CG-CG 4.1Å; R647-Q901 VanDerWaalsContact CG-OE1 3.25Å |
| 648 | E | 69.2 | Low | 71.6 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.4 | 178.8 | -64.6 | 169.7 | -160.3 | 0 | 0 | 113.5 | L650 S905 | E648-L650 PolarHBondContact O-N 3.19Å; E648-S905 PolarHBondContact OE1-OG 2.71Å |
| 649 | E | 72.5 | Confident | 71.8 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.1 | 178.1 | -46 | 89.6 | 170.6 | 0 | 0 | 112.7 | I569 R647 K1015 | I569-E649 HydrophobicContact CD1-CB 4.23Å; R647-E649 WeakPolarHBondContact CB-OE2 3.4Å; R647-E649 IonicContact CZ-OE1 3.82Å; R647-E649 IonicContact CZ-OE2 3.48Å; R647-E649 IonicContact NE-OE1 3.54Å; R647-E649 IonicContact NE-OE2 2.63Å; R647-E649 PolarHBondContact NE-OE2 3.45Å; R647-E649 IonicContact NH2-OE1 3.75Å; R647-E649 PolarHBondContact NH2-OE1 2.74Å; R647-E649 IonicContact NH2-OE2 3.41Å; R647-E649 PolarHBondContact NH2-OE2 3.25Å; R647-E649 PolarHBondContact O-N 3.43Å; E649-K1015 HydrophobicContact CG-CD 4.43Å; E649-K1015 WeakPolarHBondContact OE1-CE 3.42Å |
| 650 | L | 73.1 | Confident | 72 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.131 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -90.8 | 122.2 | 174.3 | -67 | 172.6 | 0 | 0 | 0 | 109 | I569 Y570 C646 R647 E648 | I569-L650 HydrophobicContact CG2-CD1 3.72Å; I569-L650 HydrophobicContact CG2-CD2 3.48Å; I569-L650 VanDerWaalsContact CG2-CD2 3.48Å; I569-L650 HydrophobicContact CG2-CG 3.45Å; I569-L650 VanDerWaalsContact CG2-CG 3.45Å; Y570-L650 HydrophobicContact CE1-CD1 4.35Å; Y570-L650 HydrophobicContact CE1-CD2 3.89Å; Y570-L650 HydrophobicContact CE2-CD2 3.74Å; Y570-L650 VanDerWaalsContact OH-CD2 3.24Å; Y570-L650 WeakPolarHBondContact OH-CD2 3.34Å; C646-L650 HydrophobicContact CB-CB 4.38Å; R647-L650 WeakPolarHBondContact O-CB 3.39Å; R647-L650 PolarHBondContact O-N 2.7Å; E648-L650 PolarHBondContact O-N 3.19Å |
| 651 | S | 65.9 | Low | 72.3 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | trans | -60.3 | 149.5 | 163.7 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | S653 | S651-S653 VanDerWaalsContact C-N 3.34Å; S651-S653 PolarHBondContact O-N 2.86Å | ||
| 652 | N | 62.4 | Low | 72.4 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -56.6 | 101.3 | 171.9 | -72.9 | -11.6 | 0 | 0 | 0 | 108.3 | ||
| 653 | S | 61.9 | Low | 72.4 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | trans | -117.9 | 170.8 | -177.5 | 65.2 | 0 | 0 | 0 | 0 | 109.3 | S651 L655 C656 | S651-S653 VanDerWaalsContact C-N 3.34Å; S651-S653 PolarHBondContact O-N 2.86Å; S653-L655 PolarHBondContact O-N 3.5Å; S653-C656 VanDerWaalsContact O-O 3.13Å | ||
| 654 | S | 60.8 | Low | 72.4 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 76% | 0.755 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -1.9 | 176.5 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 655 | L | 69.5 | Low | 72.2 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -29.4 | -172.5 | -69 | 162.3 | 0 | 0 | 0 | 114.1 | Y570 S653 | Y570-L655 HydrophobicContact CE1-CD1 4.23Å; S653-L655 PolarHBondContact O-N 3.5Å |
| 656 | C | 77.8 | Confident | 72.1 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.095 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -141.9 | 164.1 | -175 | 58.9 | 0 | 0 | 0 | 0 | 111 | L644 C646 S653 | L644-C656 HydrophobicContact CD2-CB 3.71Å; L644-C656 HydrophobicContact CG-CB 3.88Å; C646-C656 WeakPolarHBondContact CA-SG 3.49Å; C646-C656 HydrophobicContact CB-CB 3.95Å; C646-C656 WeakPolarHBondContact CB-SG 3.43Å; C646-C656 WeakPolarHBondContact SG-CB 3.2Å; C646-C656 PolarHBondContact SG-O 3.16Å; C646-C656 VanDerWaalsContact SG-O 3.39Å; C646-C656 CovalentContact SG-SG 2.02Å; C646-C656 PolarHBondContact SG-SG 3.03Å; S653-C656 VanDerWaalsContact O-O 3.13Å |
| 657 | R | 75.8 | Confident | 72 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -104 | 146 | 176.7 | -69.2 | -175.4 | 177 | -78.8 | -2.3 | 111.2 | Q642 L644 I645 C646 D661 T665 | Q642-R657 VanDerWaalsContact O-CD 3.28Å; Q642-R657 WeakPolarHBondContact O-CD 3.45Å; Q642-R657 PolarHBondContact O-NE 3.05Å; L644-R657 PolarHBondContact O-N 2.86Å; I645-R657 CarbonylContact C-O 3.59Å; I645-R657 WeakPolarHBondContact CA-O 3.42Å; C646-R657 PolarHBondContact N-O 3.28Å; C646-R657 PolarHBondContact SG-O 3.03Å; R657-D661 VanDerWaalsContact CD-OD2 3.3Å; R657-D661 WeakPolarHBondContact CD-OD2 3.47Å; R657-D661 IonicContact CZ-OD2 3.8Å; R657-D661 IonicContact NE-OD2 2.67Å; R657-D661 IonicContact NH1-OD2 3.09Å; R657-D661 PolarHBondContact NH1-OD2 3.33Å; R657-T665 HydrophobicContact CB-CG2 4.46Å |
| 658 | S | 76.5 | Confident | 72 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | trans | -66.3 | 148 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | L660 D661 T665 | S658-L660 PolarHBondContact O-N 2.81Å; S658-L660 VanDerWaalsContact O-N 3.17Å; S658-L660 PolarHBondContact OG-N 2.88Å; S658-D661 WeakPolarHBondContact O-CB 3.49Å; S658-D661 PolarHBondContact O-N 3.33Å; S658-D661 VanDerWaalsContact O-N 3.08Å; S658-T665 PolarHBondContact O-OG1 2.96Å | ||
| 659 | I | 73.6 | Confident | 72.3 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 36% | 0.359 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.7 | 166.4 | -162.8 | 162.1 | 0 | 0 | 0 | 111.9 | I645 D661 T665 | I645-I659 HydrophobicContact CG2-CB 3.98Å; I645-I659 HydrophobicContact CG2-CG1 4.5Å; I659-D661 VanDerWaalsContact C-N 3.35Å; I659-T665 PolarHBondContact O-OG1 3.35Å |
| 660 | L | 73.4 | Confident | 72.5 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 0.8 | 176.8 | -58.6 | 172.6 | 0 | 0 | 0 | 113.9 | R304 S658 P662 | R304-L660 HydrophobicContact CB-CD1 3.92Å; S658-L660 PolarHBondContact O-N 2.81Å; S658-L660 VanDerWaalsContact O-N 3.17Å; S658-L660 PolarHBondContact OG-N 2.88Å; L660-P662 VanDerWaalsContact O-CD 3.25Å; L660-P662 WeakPolarHBondContact O-CD 3.36Å |
| 661 | D | 77.7 | Confident | 72.9 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | trans | -70 | 113.3 | -179.7 | -179.2 | -2.6 | 0 | 0 | 0 | 111.2 | R657 S658 I659 W663 T665 K666 | R657-D661 VanDerWaalsContact CD-OD2 3.3Å; R657-D661 WeakPolarHBondContact CD-OD2 3.47Å; R657-D661 IonicContact CZ-OD2 3.8Å; R657-D661 IonicContact NE-OD2 2.67Å; R657-D661 IonicContact NH1-OD2 3.09Å; R657-D661 PolarHBondContact NH1-OD2 3.33Å; S658-D661 WeakPolarHBondContact O-CB 3.49Å; S658-D661 PolarHBondContact O-N 3.33Å; S658-D661 VanDerWaalsContact O-N 3.08Å; I659-D661 VanDerWaalsContact C-N 3.35Å; D661-W663 PolarHBondContact O-N 2.8Å; D661-W663 WeakPolarHBondContact OD1-CB 3.31Å; D661-W663 PolarHBondContact OD1-N 2.67Å; D661-T665 WeakPolarHBondContact CB-OG1 3.22Å; D661-T665 PolarHBondContact N-OG1 2.69Å; D661-T665 PolarHBondContact O-N 3.37Å; D661-T665 PolarHBondContact O-OG1 2.77Å; D661-T665 VanDerWaalsContact O-OG1 3.08Å; D661-K666 WeakPolarHBondContact O-CB 3.29Å; D661-K666 PolarHBondContact O-N 3.47Å | ||
| 662 | P | 74.6 | Confident | 73.6 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.4 | -175.1 | 28.3 | -35.6 | 0 | 0 | 0 | 113.7 | L660 L671 E676 I680 R684 | L660-P662 VanDerWaalsContact O-CD 3.25Å; L660-P662 WeakPolarHBondContact O-CD 3.36Å; P662-L671 HydrophobicContact CB-CD2 3.67Å; P662-E676 HydrophobicContact CB-CB 3.97Å; P662-E676 HydrophobicContact CB-CG 3.89Å; P662-E676 HydrophobicContact CG-CG 4.31Å; P662-I680 HydrophobicContact CB-CD1 4.32Å; P662-I680 HydrophobicContact CG-CD1 4.38Å; P662-R684 PolarHBondContact O-NH1 3.37Å |
| 663 | W | 72.4 | Confident | 74.2 | Confident | 124 Ų | 124 | 39.9 Ų | 39.9 | 47% | 0.47 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -35.7 | -173.8 | -163.8 | 70.5 | 0 | 0 | 0 | 113.4 | D661 R684 | D661-W663 PolarHBondContact O-N 2.8Å; D661-W663 WeakPolarHBondContact OD1-CB 3.31Å; D661-W663 PolarHBondContact OD1-N 2.67Å; W663-R684 WeakPolarHBondContact O-CD 3.36Å |
| 664 | L | 71.2 | Confident | 74.8 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | -45.1 | -170.4 | -144.8 | 85 | 0 | 0 | 0 | 114.6 | Q642 F643 R684 H837 | Q642-L664 WeakPolarHBondContact O-CD2 3.48Å; F643-L664 HydrophobicContact CD1-CD2 3.74Å; F643-L664 HydrophobicContact CE1-CD2 3.79Å; F643-L664 HydrophobicContact CG-CD2 4.42Å; F643-L664 HydrophobicContact CZ-CD2 4.47Å; L664-R684 PolarHBondContact O-NH2 3.49Å; L664-H837 HydrophobicContact CD2-CB 4.36Å; L664-H837 HydrophobicContact CG-CB 4.07Å; L664-H837 PolarHBondContact O-ND1 3.49Å |
| 665 | T | 73.1 | Confident | 75.7 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -39.5 | -165.4 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | I645 R657 S658 I659 D661 S667 | I645-T665 HydrophobicContact CD1-CG2 4.12Å; I645-T665 HydrophobicContact CG1-CG2 3.88Å; R657-T665 HydrophobicContact CB-CG2 4.46Å; S658-T665 PolarHBondContact O-OG1 2.96Å; I659-T665 PolarHBondContact O-OG1 3.35Å; D661-T665 WeakPolarHBondContact CB-OG1 3.22Å; D661-T665 PolarHBondContact N-OG1 2.69Å; D661-T665 PolarHBondContact O-N 3.37Å; D661-T665 PolarHBondContact O-OG1 2.77Å; D661-T665 VanDerWaalsContact O-OG1 3.08Å; T665-S667 PolarHBondContact O-N 2.9Å |
| 666 | K | 76.3 | Confident | 76.3 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -66.5 | 127.3 | 179 | -164.6 | 170.2 | -176.4 | -163.3 | 0 | 109.9 | D661 R670 L671 E676 R684 | D661-K666 WeakPolarHBondContact O-CB 3.29Å; D661-K666 PolarHBondContact O-N 3.47Å; K666-R670 WeakPolarHBondContact CE-O 3.39Å; K666-R670 HydrophobicContact CG-CB 3.9Å; K666-R670 PolarHBondContact NZ-O 2.66Å; K666-L671 HydrophobicContact CB-CD2 4.13Å; K666-L671 HydrophobicContact CD-CD2 4.08Å; K666-L671 HydrophobicContact CG-CD2 4.14Å; K666-E676 IonicContact NZ-OE1 3.1Å; K666-E676 PolarHBondContact NZ-OE1 3.29Å; K666-E676 IonicContact NZ-OE2 3.43Å; K666-E676 PolarHBondContact NZ-OE2 3.03Å; K666-R684 VanDerWaalsContact O-CZ 3.23Å; K666-R684 PolarHBondContact O-NH1 2.88Å; K666-R684 PolarHBondContact O-NH2 3.02Å |
| 667 | S | 77.5 | Confident | 76.5 | Confident | 19 Ų | 19 | 43 Ų | 43 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | trans | -63.8 | 151.2 | -178.4 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | T665 N669 R670 L671 E835 | T665-S667 PolarHBondContact O-N 2.9Å; S667-N669 WeakPolarHBondContact CB-OD1 3.18Å; S667-N669 PolarHBondContact O-N 2.89Å; S667-N669 PolarHBondContact OG-OD1 3.26Å; S667-R670 PolarHBondContact O-N 3.34Å; S667-R670 WeakPolarHBondContact OG-CB 3.26Å; S667-R670 VanDerWaalsContact OG-CD 3.25Å; S667-R670 WeakPolarHBondContact OG-CD 3.25Å; S667-R670 WeakPolarHBondContact OG-CG 3.41Å; S667-L671 PolarHBondContact O-N 2.86Å; S667-E835 WeakPolarHBondContact CA-OE1 3.11Å; S667-E835 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 668 | L | 77 | Confident | 76.7 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -57.9 | -35.2 | -175.4 | -76.6 | 167.4 | 0 | 0 | 0 | 112.7 | L671 F677 R684 V685 S745 | L668-L671 HydrophobicContact CD2-CD1 3.95Å; L668-F677 HydrophobicContact CD2-CE2 4.28Å; L668-R684 HydrophobicContact CD2-CB 4.41Å; L668-V685 HydrophobicContact CD1-CG2 4.04Å; L668-S745 VanDerWaalsContact O-CB 3.26Å; L668-S745 WeakPolarHBondContact O-CB 3.4Å |
| 669 | N | 74.7 | Confident | 77 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -72 | -23.3 | 177.5 | 63.7 | -17.4 | 0 | 0 | 0 | 113.9 | S667 | S667-N669 WeakPolarHBondContact CB-OD1 3.18Å; S667-N669 PolarHBondContact O-N 2.89Å; S667-N669 PolarHBondContact OG-OD1 3.26Å |
| 670 | R | 78 | Confident | 77.4 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -87.1 | -12.1 | 178.5 | -75.1 | 178.9 | -168.3 | -153 | 11.5 | 113.1 | H261 T262 K666 S667 N672 D910 | H261-R670 PolarHBondContact O-NE 2.91Å; H261-R670 PolarHBondContact O-NH1 2.87Å; H261-R670 PolarHBondContact O-NH2 2.95Å; T262-R670 WeakPolarHBondContact O-CG 3.31Å; K666-R670 WeakPolarHBondContact CE-O 3.39Å; K666-R670 HydrophobicContact CG-CB 3.9Å; K666-R670 PolarHBondContact NZ-O 2.66Å; S667-R670 PolarHBondContact O-N 3.34Å; S667-R670 WeakPolarHBondContact OG-CB 3.26Å; S667-R670 VanDerWaalsContact OG-CD 3.25Å; S667-R670 WeakPolarHBondContact OG-CD 3.25Å; S667-R670 WeakPolarHBondContact OG-CG 3.41Å; R670-N672 PolarHBondContact O-N 3.3Å; R670-D910 IonicContact CZ-OD2 2.69Å; R670-D910 IonicContact NE-OD2 3.34Å; R670-D910 IonicContact NH2-OD2 3.44Å; R670-D910 PolarHBondContact NH2-OD2 3.22Å |
| 671 | L | 81 | Confident | 77.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -65.2 | 133.6 | -176.9 | -66.2 | 177 | 0 | 0 | 0 | 110.9 | P662 K666 S667 L668 P673 E676 F677 | P662-L671 HydrophobicContact CB-CD2 3.67Å; K666-L671 HydrophobicContact CB-CD2 4.13Å; K666-L671 HydrophobicContact CD-CD2 4.08Å; K666-L671 HydrophobicContact CG-CD2 4.14Å; S667-L671 PolarHBondContact O-N 2.86Å; L668-L671 HydrophobicContact CD2-CD1 3.95Å; L671-P673 WeakPolarHBondContact O-CD 3.27Å; L671-P673 VanDerWaalsContact O-N 3.16Å; L671-E676 WeakPolarHBondContact CA-OE2 3.06Å; L671-E676 HydrophobicContact CB-CB 4.13Å; L671-E676 HydrophobicContact CD2-CB 4.01Å; L671-F677 HydrophobicContact CB-CB 4.05Å; L671-F677 HydrophobicContact CB-CD2 4.46Å; L671-F677 HydrophobicContact CD1-CB 4.45Å; L671-F677 HydrophobicContact CD1-CD2 4.03Å |
| 672 | N | 79.7 | Confident | 77.7 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | trans | -57.9 | 121.6 | 170 | -176.4 | -56.8 | 0 | 0 | 0 | 108.3 | R670 I674 H675 E676 F677 | R670-N672 PolarHBondContact O-N 3.3Å; N672-I674 PolarHBondContact O-N 2.88Å; N672-I674 VanDerWaalsContact O-N 3.16Å; N672-I674 PolarHBondContact OD1-N 3.43Å; N672-I674 VanDerWaalsContact OD1-N 3.08Å; N672-H675 PolarHBondContact OD1-N 3.3Å; N672-E676 HydrophobicContact CB-CB 4.2Å; N672-E676 HydrophobicContact CB-CG 3.93Å; N672-E676 PolarHBondContact N-OE2 3.18Å; N672-E676 PolarHBondContact O-N 2.87Å; N672-F677 PolarHBondContact O-N 2.85Å | ||
| 673 | P | 76.5 | Confident | 78.1 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 22% | 0.221 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -58.4 | -38.3 | -170.2 | -24.9 | 32.4 | 0 | 0 | 0 | 112.6 | L671 Y678 S745 | L671-P673 WeakPolarHBondContact O-CD 3.27Å; L671-P673 VanDerWaalsContact O-N 3.16Å; P673-Y678 WeakPolarHBondContact O-CD2 3.41Å; P673-Y678 VanDerWaalsContact O-CE2 3.29Å; P673-Y678 WeakPolarHBondContact O-CE2 3.21Å; P673-S745 VanDerWaalsContact CG-O 3.24Å; P673-S745 WeakPolarHBondContact CG-O 3.39Å |
| 674 | I | 75 | Confident | 78.4 | Confident | 118 Ų | 118 | 44 Ų | 44 | 61% | 0.605 | 23% | 0.229 | S | C | * | . | I | π-helix | trans | -85.7 | -52.2 | -173.2 | -60.4 | 171.7 | 0 | 0 | 0 | 110.7 | N672 | N672-I674 PolarHBondContact O-N 2.88Å; N672-I674 VanDerWaalsContact O-N 3.16Å; N672-I674 PolarHBondContact OD1-N 3.43Å; N672-I674 VanDerWaalsContact OD1-N 3.08Å |
| 675 | H | 77.7 | Confident | 78.8 | Confident | 119 Ų | 119 | 44.2 Ų | 44.2 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -89.2 | -25.5 | -167.9 | -64.3 | -63.6 | 0 | 0 | 0 | 114.1 | N672 P679 | N672-H675 PolarHBondContact OD1-N 3.3Å; H675-P679 WeakPolarHBondContact O-CG 3.44Å |
| 676 | E | 82.7 | Confident | 79.2 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -117.3 | -43.7 | -172 | -63 | 174.1 | 167.8 | 0 | 0 | 112.5 | P662 K666 L671 N672 P679 I680 | P662-E676 HydrophobicContact CB-CB 3.97Å; P662-E676 HydrophobicContact CB-CG 3.89Å; P662-E676 HydrophobicContact CG-CG 4.31Å; K666-E676 IonicContact NZ-OE1 3.1Å; K666-E676 PolarHBondContact NZ-OE1 3.29Å; K666-E676 IonicContact NZ-OE2 3.43Å; K666-E676 PolarHBondContact NZ-OE2 3.03Å; L671-E676 WeakPolarHBondContact CA-OE2 3.06Å; L671-E676 HydrophobicContact CB-CB 4.13Å; L671-E676 HydrophobicContact CD2-CB 4.01Å; N672-E676 HydrophobicContact CB-CB 4.2Å; N672-E676 HydrophobicContact CB-CG 3.93Å; N672-E676 PolarHBondContact N-OE2 3.18Å; N672-E676 PolarHBondContact O-N 2.87Å; E676-P679 WeakPolarHBondContact O-CD 3.27Å; E676-P679 WeakPolarHBondContact O-CG 3.22Å; E676-I680 PolarHBondContact O-N 3.32Å |
| 677 | F | 81.6 | Confident | 79.2 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -70.9 | -52.6 | -174.4 | -176.8 | -84.9 | 0 | 0 | 0 | 113 | L668 L671 N672 I680 G681 S745 T746 | L668-F677 HydrophobicContact CD2-CE2 4.28Å; L671-F677 HydrophobicContact CB-CB 4.05Å; L671-F677 HydrophobicContact CB-CD2 4.46Å; L671-F677 HydrophobicContact CD1-CB 4.45Å; L671-F677 HydrophobicContact CD1-CD2 4.03Å; N672-F677 PolarHBondContact O-N 2.85Å; F677-I680 PolarHBondContact O-N 3.35Å; F677-G681 WeakPolarHBondContact O-CA 3.47Å; F677-G681 PolarHBondContact O-N 2.99Å; F677-S745 WeakPolarHBondContact CD2-OG 3.39Å; F677-S745 WeakPolarHBondContact CE2-OG 3.27Å; F677-T746 HydrophobicContact CD1-CG2 3.11Å; F677-T746 HydrophobicContact CE1-CG2 3.28Å; F677-T746 HydrophobicContact CG-CG2 3.8Å; F677-T746 HydrophobicContact CZ-CG2 4.07Å |
| 678 | Y | 81.1 | Confident | 79.1 | Confident | 166 Ų | 166 | 52 Ų | 52 | 65% | 0.651 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -52.6 | -43.8 | -179.6 | -77.9 | -68.6 | 0 | 0 | 0 | 114.8 | P673 | P673-Y678 WeakPolarHBondContact O-CD2 3.41Å; P673-Y678 VanDerWaalsContact O-CE2 3.29Å; P673-Y678 WeakPolarHBondContact O-CE2 3.21Å |
| 679 | P | 81.6 | Confident | 79.2 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.2 | -28.5 | -179.7 | 25.3 | -33.3 | 0 | 0 | 0 | 114.3 | H675 E676 | H675-P679 WeakPolarHBondContact O-CG 3.44Å; E676-P679 WeakPolarHBondContact O-CD 3.27Å; E676-P679 WeakPolarHBondContact O-CG 3.22Å |
| 680 | I | 81.7 | Confident | 79.5 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -122.3 | -32.7 | -164.3 | -60.5 | 169.9 | 0 | 0 | 0 | 113.1 | P662 E676 F677 G682 I683 R684 | P662-I680 HydrophobicContact CB-CD1 4.32Å; P662-I680 HydrophobicContact CG-CD1 4.38Å; E676-I680 PolarHBondContact O-N 3.32Å; F677-I680 PolarHBondContact O-N 3.35Å; I680-G682 PolarHBondContact O-N 2.87Å; I680-I683 WeakPolarHBondContact O-CB 3.42Å; I680-I683 PolarHBondContact O-N 3.49Å; I680-I683 VanDerWaalsContact O-N 3.12Å; I680-R684 VanDerWaalsContact CG2-CD 3.49Å; I680-R684 HydrophobicContact CG2-CG 3.75Å; I680-R684 PolarHBondContact O-N 2.98Å |
| 681 | G | 78.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -49.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F677 I683 R684 V685 | F677-G681 WeakPolarHBondContact O-CA 3.47Å; F677-G681 PolarHBondContact O-N 2.99Å; G681-I683 VanDerWaalsContact C-N 3.35Å; G681-I683 PolarHBondContact O-N 3.29Å; G681-R684 PolarHBondContact O-N 3.41Å; G681-V685 WeakPolarHBondContact O-CG2 2.96Å; G681-V685 PolarHBondContact O-N 3.19Å |
| 682 | G | 80.1 | Confident | 79 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I680 V685 M686 | I680-G682 PolarHBondContact O-N 2.87Å; G682-V685 PolarHBondContact O-N 3.09Å; G682-M686 WeakPolarHBondContact O-CB 3.39Å; G682-M686 WeakPolarHBondContact O-CG 3.16Å; G682-M686 PolarHBondContact O-N 3.26Å |
| 683 | I | 82.4 | Confident | 79 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 177.7 | -61.2 | 174 | 0 | 0 | 0 | 110.1 | I680 G681 M686 F687 | I680-I683 WeakPolarHBondContact O-CB 3.42Å; I680-I683 PolarHBondContact O-N 3.49Å; I680-I683 VanDerWaalsContact O-N 3.12Å; G681-I683 VanDerWaalsContact C-N 3.35Å; G681-I683 PolarHBondContact O-N 3.29Å; I683-M686 PolarHBondContact O-N 2.93Å; I683-F687 WeakPolarHBondContact O-CB 3.25Å; I683-F687 PolarHBondContact O-N 2.84Å |
| 684 | R | 79 | Confident | 78.8 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 178.6 | -73 | 175.9 | 70.2 | 177.2 | 0 | 111.9 | P662 W663 L664 K666 L668 I680 G681 F687 A688 E835 F836 | P662-R684 PolarHBondContact O-NH1 3.37Å; W663-R684 WeakPolarHBondContact O-CD 3.36Å; L664-R684 PolarHBondContact O-NH2 3.49Å; K666-R684 VanDerWaalsContact O-CZ 3.23Å; K666-R684 PolarHBondContact O-NH1 2.88Å; K666-R684 PolarHBondContact O-NH2 3.02Å; L668-R684 HydrophobicContact CD2-CB 4.41Å; I680-R684 VanDerWaalsContact CG2-CD 3.49Å; I680-R684 HydrophobicContact CG2-CG 3.75Å; I680-R684 PolarHBondContact O-N 2.98Å; G681-R684 PolarHBondContact O-N 3.41Å; R684-F687 PolarHBondContact O-N 3.32Å; R684-A688 WeakPolarHBondContact O-CB 3.46Å; R684-A688 PolarHBondContact O-N 3.47Å; R684-E835 IonicContact NH2-OE2 3.98Å; R684-F836 HydrophobicContact CB-CE1 3.84Å; R684-F836 HydrophobicContact CB-CE2 4.42Å; R684-F836 HydrophobicContact CB-CZ 3.77Å; R684-F836 HydrophobicContact CG-CE1 4.09Å; R684-F836 HydrophobicContact CG-CE2 4.42Å; R684-F836 HydrophobicContact CG-CZ 3.65Å; R684-F836 VanDerWaalsContact NH2-CE1 3.31Å |
| 685 | V | 79 | Confident | 78.8 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 179 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L668 G681 G682 F687 A688 I689 M739 S742 | L668-V685 HydrophobicContact CD1-CG2 4.04Å; G681-V685 WeakPolarHBondContact O-CG2 2.96Å; G681-V685 PolarHBondContact O-N 3.19Å; G682-V685 PolarHBondContact O-N 3.09Å; V685-F687 VanDerWaalsContact C-N 3.26Å; V685-F687 PolarHBondContact O-N 3.16Å; V685-A688 WeakPolarHBondContact O-CB 3.28Å; V685-A688 PolarHBondContact O-N 3Å; V685-I689 HydrophobicContact CG1-CD1 3.83Å; V685-I689 VanDerWaalsContact O-CG1 3.29Å; V685-I689 WeakPolarHBondContact O-CG1 3.47Å; V685-I689 PolarHBondContact O-N 3.47Å; V685-M739 HydrophobicContact CG1-CG 4.43Å; V685-S742 VanDerWaalsContact CG2-OG 3.31Å; V685-S742 WeakPolarHBondContact CG2-OG 3.15Å |
| 686 | M | 82 | Confident | 78.7 | Confident | 143 Ų | 143 | 52.6 Ų | 52.6 | 70% | 0.704 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.9 | -40.2 | 177.4 | -72.6 | -150.8 | 80.9 | 0 | 0 | 111.9 | G682 I683 I689 L690 | G682-M686 WeakPolarHBondContact O-CB 3.39Å; G682-M686 WeakPolarHBondContact O-CG 3.16Å; G682-M686 PolarHBondContact O-N 3.26Å; I683-M686 PolarHBondContact O-N 2.93Å; M686-I689 PolarHBondContact O-N 3.36Å; M686-L690 WeakPolarHBondContact O-CB 3.14Å; M686-L690 PolarHBondContact O-N 3.46Å |
| 687 | F | 77 | Confident | 78.3 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 31% | 0.311 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 178.1 | -176.8 | -95.7 | 0 | 0 | 0 | 112.5 | I683 R684 V685 I689 L690 M691 F836 W840 | I683-F687 WeakPolarHBondContact O-CB 3.25Å; I683-F687 PolarHBondContact O-N 2.84Å; R684-F687 PolarHBondContact O-N 3.32Å; V685-F687 VanDerWaalsContact C-N 3.26Å; V685-F687 PolarHBondContact O-N 3.16Å; F687-I689 VanDerWaalsContact C-N 3.33Å; F687-I689 PolarHBondContact O-N 2.83Å; F687-L690 PolarHBondContact O-N 2.93Å; F687-M691 HydrophobicContact CD1-CG 4.42Å; F687-M691 HydrophobicContact CE1-CE 4.16Å; F687-M691 HydrophobicContact CE1-CG 4.1Å; F687-M691 HydrophobicContact CE2-CE 3.99Å; F687-M691 HydrophobicContact CZ-CE 3.54Å; F687-M691 HydrophobicContact CZ-CG 4.3Å; F687-M691 WeakPolarHBondContact O-CG 3.26Å; F687-M691 PolarHBondContact O-N 2.79Å; F687-F836 HydrophobicContact CD1-CD2 4.23Å; F687-F836 HydrophobicContact CD1-CE2 4.32Å; F687-W840 AromaticContact CE1-CE2 4Å; F687-W840 HydrophobicContact CE1-CZ2 4.32Å; F687-W840 AromaticContact CE1-NE1 3.34Å; F687-W840 VanDerWaalsContact CE1-NE1 3.34Å; F687-W840 HydrophobicContact CE2-CZ2 4.4Å; F687-W840 AromaticContact CZ-CE2 3.66Å; F687-W840 AromaticContact CZ-CZ2 3.52Å; F687-W840 HydrophobicContact CZ-CZ2 3.52Å; F687-W840 AromaticContact CZ-NE1 3.44Å |
| 688 | A | 75.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | R684 V685 M691 L692 W738 F836 | R684-A688 WeakPolarHBondContact O-CB 3.46Å; R684-A688 PolarHBondContact O-N 3.47Å; V685-A688 WeakPolarHBondContact O-CB 3.28Å; V685-A688 PolarHBondContact O-N 3Å; A688-M691 PolarHBondContact O-N 2.98Å; A688-L692 PolarHBondContact O-N 3.17Å; A688-W738 HydrophobicContact CB-CD2 4.19Å; A688-W738 HydrophobicContact CB-CE3 3.6Å; A688-W738 HydrophobicContact CB-CH2 3.93Å; A688-W738 HydrophobicContact CB-CZ2 4.46Å; A688-W738 HydrophobicContact CB-CZ3 3.47Å; A688-W738 VanDerWaalsContact CB-CZ3 3.47Å; A688-F836 HydrophobicContact CB-CB 3.29Å; A688-F836 HydrophobicContact CB-CD2 4.24Å; A688-F836 HydrophobicContact CB-CG 3.78Å |
| 689 | I | 78.8 | Confident | 77.4 | Confident | 53 Ų | 53 | 54 Ų | 54 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 177.9 | -66.6 | 167.9 | 0 | 0 | 0 | 110.8 | V685 M686 F687 M691 L692 I693 W738 | V685-I689 HydrophobicContact CG1-CD1 3.83Å; V685-I689 VanDerWaalsContact O-CG1 3.29Å; V685-I689 WeakPolarHBondContact O-CG1 3.47Å; V685-I689 PolarHBondContact O-N 3.47Å; M686-I689 PolarHBondContact O-N 3.36Å; F687-I689 VanDerWaalsContact C-N 3.33Å; F687-I689 PolarHBondContact O-N 2.83Å; I689-M691 VanDerWaalsContact C-N 3.25Å; I689-M691 PolarHBondContact O-N 3.41Å; I689-L692 PolarHBondContact O-N 3.24Å; I689-I693 HydrophobicContact CG2-CD1 3.9Å; I689-I693 VanDerWaalsContact O-CG1 3.29Å; I689-I693 WeakPolarHBondContact O-CG1 3.25Å; I689-I693 PolarHBondContact O-N 3.43Å; I689-W738 HydrophobicContact CG1-CE3 4.25Å; I689-W738 HydrophobicContact CG1-CZ3 4.3Å |
| 690 | L | 79.6 | Confident | 76.9 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 176.9 | 179.1 | 64.4 | 0 | 0 | 0 | 111.4 | M686 F687 I693 I694 | M686-L690 WeakPolarHBondContact O-CB 3.14Å; M686-L690 PolarHBondContact O-N 3.46Å; F687-L690 PolarHBondContact O-N 2.93Å; L690-I693 WeakPolarHBondContact O-CB 3.42Å; L690-I693 PolarHBondContact O-N 3.37Å; L690-I694 HydrophobicContact CD1-CD1 4.43Å; L690-I694 HydrophobicContact CG-CD1 4.13Å; L690-I694 WeakPolarHBondContact O-CG1 3.21Å; L690-I694 PolarHBondContact O-N 3.36Å |
| 691 | M | 73.5 | Confident | 76.3 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 179.3 | -69.3 | -49.8 | -153.8 | 0 | 0 | 113.5 | F687 A688 I689 I693 I694 Y695 I839 W840 | F687-M691 HydrophobicContact CD1-CG 4.42Å; F687-M691 HydrophobicContact CE1-CE 4.16Å; F687-M691 HydrophobicContact CE1-CG 4.1Å; F687-M691 HydrophobicContact CE2-CE 3.99Å; F687-M691 HydrophobicContact CZ-CE 3.54Å; F687-M691 HydrophobicContact CZ-CG 4.3Å; F687-M691 WeakPolarHBondContact O-CG 3.26Å; F687-M691 PolarHBondContact O-N 2.79Å; A688-M691 PolarHBondContact O-N 2.98Å; I689-M691 VanDerWaalsContact C-N 3.25Å; I689-M691 PolarHBondContact O-N 3.41Å; M691-I693 PolarHBondContact O-N 3.49Å; M691-I694 PolarHBondContact O-N 3Å; M691-I694 HydrophobicContact SD-CD1 3.82Å; M691-Y695 WeakPolarHBondContact O-CB 3.31Å; M691-Y695 PolarHBondContact O-N 3.33Å; M691-I839 HydrophobicContact CB-CD1 4.47Å; M691-I839 HydrophobicContact CB-CG2 3.82Å; M691-W840 HydrophobicContact CE-CD2 3.84Å; M691-W840 HydrophobicContact CE-CE3 3.88Å; M691-W840 HydrophobicContact CE-CH2 3.09Å; M691-W840 HydrophobicContact CE-CZ2 3.06Å; M691-W840 HydrophobicContact CE-CZ3 3.5Å; M691-W840 VanDerWaalsContact CE-CZ3 3.5Å |
| 692 | L | 76.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 172.6 | -174 | 57.8 | 0 | 0 | 0 | 110.9 | A688 I689 Y695 L696 G731 L734 W738 L827 | A688-L692 PolarHBondContact O-N 3.17Å; I689-L692 PolarHBondContact O-N 3.24Å; L692-Y695 PolarHBondContact O-N 3.41Å; L692-L696 HydrophobicContact CD1-CD1 4.33Å; L692-L696 HydrophobicContact CD1-CG 4.41Å; L692-L696 HydrophobicContact CG-CD1 4.21Å; L692-L696 WeakPolarHBondContact O-CB 3.42Å; L692-L696 VanDerWaalsContact O-CG 3.25Å; L692-L696 WeakPolarHBondContact O-CG 3.2Å; L692-L696 PolarHBondContact O-N 2.94Å; L692-G731 WeakPolarHBondContact CD2-O 3.45Å; L692-L734 HydrophobicContact CD1-CD1 4.13Å; L692-L734 HydrophobicContact CD2-CB 3.89Å; L692-L734 HydrophobicContact CD2-CD1 4.09Å; L692-W738 HydrophobicContact CB-CH2 4.39Å; L692-W738 HydrophobicContact CD2-CH2 4.07Å; L692-W738 HydrophobicContact CD2-CZ3 4.14Å; L692-L827 HydrophobicContact CD1-CD2 4.28Å |
| 693 | I | 78.3 | Confident | 75 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.8 | -67.8 | 165.2 | 0 | 0 | 0 | 111.2 | I689 L690 M691 Y695 L696 R697 | I689-I693 HydrophobicContact CG2-CD1 3.9Å; I689-I693 VanDerWaalsContact O-CG1 3.29Å; I689-I693 WeakPolarHBondContact O-CG1 3.25Å; I689-I693 PolarHBondContact O-N 3.43Å; L690-I693 WeakPolarHBondContact O-CB 3.42Å; L690-I693 PolarHBondContact O-N 3.37Å; M691-I693 PolarHBondContact O-N 3.49Å; I693-Y695 PolarHBondContact O-N 2.87Å; I693-L696 PolarHBondContact O-N 3.41Å; I693-R697 WeakPolarHBondContact O-CB 3.25Å; I693-R697 PolarHBondContact O-N 3.34Å |
| 694 | I | 73.8 | Confident | 74.1 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 178.3 | -69.9 | 164.9 | 0 | 0 | 0 | 110.7 | L690 M691 R697 L698 F843 | L690-I694 HydrophobicContact CD1-CD1 4.43Å; L690-I694 HydrophobicContact CG-CD1 4.13Å; L690-I694 WeakPolarHBondContact O-CG1 3.21Å; L690-I694 PolarHBondContact O-N 3.36Å; M691-I694 PolarHBondContact O-N 3Å; M691-I694 HydrophobicContact SD-CD1 3.82Å; I694-R697 PolarHBondContact O-N 2.94Å; I694-L698 HydrophobicContact CG2-CD1 4.24Å; I694-L698 WeakPolarHBondContact O-CG 3.26Å; I694-L698 PolarHBondContact O-N 3.47Å; I694-F843 HydrophobicContact CG2-CE2 4.26Å |
| 695 | Y | 73.6 | Confident | 73.2 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -51 | 178.2 | 179.9 | -99.8 | 0 | 0 | 0 | 111.7 | M691 L692 I693 R697 L698 Y699 V823 F826 V842 I846 | M691-Y695 WeakPolarHBondContact O-CB 3.31Å; M691-Y695 PolarHBondContact O-N 3.33Å; L692-Y695 PolarHBondContact O-N 3.41Å; I693-Y695 PolarHBondContact O-N 2.87Å; Y695-R697 VanDerWaalsContact C-N 3.3Å; Y695-R697 PolarHBondContact O-N 3.09Å; Y695-L698 PolarHBondContact O-N 3.49Å; Y695-Y699 PolarHBondContact O-N 3.35Å; Y695-Y699 VanDerWaalsContact O-N 3.07Å; Y695-V823 HydrophobicContact CE1-CG1 4.25Å; Y695-V823 WeakPolarHBondContact OH-CA 3.22Å; Y695-F826 HydrophobicContact CD1-CD1 4.36Å; Y695-F826 HydrophobicContact CD1-CE1 4.17Å; Y695-F826 HydrophobicContact CD2-CE1 4.3Å; Y695-F826 AromaticContact CE1-CD1 3.74Å; Y695-F826 HydrophobicContact CE1-CD1 3.74Å; Y695-F826 HydrophobicContact CE1-CE1 4.01Å; Y695-F826 HydrophobicContact CE2-CD1 4.09Å; Y695-F826 HydrophobicContact CE2-CE1 4.13Å; Y695-F826 HydrophobicContact CG-CE1 4.31Å; Y695-F826 AromaticContact CZ-CD1 3.58Å; Y695-F826 AromaticContact CZ-CE1 3.99Å; Y695-V842 HydrophobicContact CE2-CG1 3.8Å; Y695-I846 HydrophobicContact CD2-CD1 4.49Å; Y695-I846 HydrophobicContact CE2-CD1 3.62Å |
| 696 | L | 75.4 | Confident | 71.9 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 177.6 | -67.6 | 176.2 | 0 | 0 | 0 | 111.9 | L692 I693 W700 F727 | L692-L696 HydrophobicContact CD1-CD1 4.33Å; L692-L696 HydrophobicContact CD1-CG 4.41Å; L692-L696 HydrophobicContact CG-CD1 4.21Å; L692-L696 WeakPolarHBondContact O-CB 3.42Å; L692-L696 VanDerWaalsContact O-CG 3.25Å; L692-L696 WeakPolarHBondContact O-CG 3.2Å; L692-L696 PolarHBondContact O-N 2.94Å; I693-L696 PolarHBondContact O-N 3.41Å; L696-W700 WeakPolarHBondContact O-CB 3.46Å; L696-W700 PolarHBondContact O-N 2.86Å; L696-F727 HydrophobicContact CD2-CB 4.18Å; L696-F727 HydrophobicContact CD2-CD1 3.8Å; L696-F727 HydrophobicContact CD2-CG 4.33Å |
| 697 | R | 75 | Confident | 70.5 | Confident | 178 Ų | 178 | 60.2 Ų | 60.2 | 67% | 0.672 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.4 | -39.4 | 175.4 | -176.5 | 176.7 | 179.6 | 112.9 | -0.5 | 112.6 | I693 I694 Y695 W700 R701 | I693-R697 WeakPolarHBondContact O-CB 3.25Å; I693-R697 PolarHBondContact O-N 3.34Å; I694-R697 PolarHBondContact O-N 2.94Å; Y695-R697 VanDerWaalsContact C-N 3.3Å; Y695-R697 PolarHBondContact O-N 3.09Å; R697-W700 PolarHBondContact O-N 2.8Å; R697-R701 PolarHBondContact O-N 3.5Å |
| 698 | L | 70.6 | Confident | 69.3 | Low | 69 Ų | 69 | 63.4 Ų | 63.4 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.8 | -74.7 | 174 | 0 | 0 | 0 | 111.4 | I694 Y695 W700 R701 L702 F843 | I694-L698 HydrophobicContact CG2-CD1 4.24Å; I694-L698 WeakPolarHBondContact O-CG 3.26Å; I694-L698 PolarHBondContact O-N 3.47Å; Y695-L698 PolarHBondContact O-N 3.49Å; L698-W700 VanDerWaalsContact C-N 3.32Å; L698-W700 PolarHBondContact O-N 2.89Å; L698-R701 WeakPolarHBondContact O-CB 3.5Å; L698-R701 PolarHBondContact O-N 2.8Å; L698-L702 PolarHBondContact O-N 2.81Å; L698-L702 VanDerWaalsContact O-N 3.12Å; L698-F843 HydrophobicContact CD1-CD2 4.26Å; L698-F843 HydrophobicContact CD1-CE2 3.6Å |
| 699 | Y | 72.5 | Confident | 67.9 | Low | 14 Ų | 14 | 67.1 Ų | 67.1 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 173.4 | 174.2 | -108.3 | 0 | 0 | 0 | 111.9 | Y695 R701 L702 L703 F727 L815 T819 V823 | Y695-Y699 PolarHBondContact O-N 3.35Å; Y695-Y699 VanDerWaalsContact O-N 3.07Å; Y699-R701 PolarHBondContact O-N 3.37Å; Y699-L702 WeakPolarHBondContact O-CB 3.45Å; Y699-L702 PolarHBondContact O-N 2.86Å; Y699-L703 HydrophobicContact CD1-CD1 3.85Å; Y699-L703 HydrophobicContact CE1-CD1 3.25Å; Y699-L703 HydrophobicContact CE1-CG 4.24Å; Y699-L703 HydrophobicContact CE2-CD1 4.27Å; Y699-L703 HydrophobicContact CE2-CG 4.44Å; Y699-L703 VanDerWaalsContact CZ-CD1 3.47Å; Y699-L703 PolarHBondContact O-N 2.96Å; Y699-F727 HydrophobicContact CD1-CE1 4.34Å; Y699-F727 HydrophobicContact CD1-CE2 4.4Å; Y699-F727 HydrophobicContact CD1-CZ 4.19Å; Y699-F727 HydrophobicContact CE1-CD2 4.2Å; Y699-F727 AromaticContact CE1-CE1 3.94Å; Y699-F727 HydrophobicContact CE1-CE1 3.94Å; Y699-F727 AromaticContact CE1-CE2 3.53Å; Y699-F727 HydrophobicContact CE1-CE2 3.53Å; Y699-F727 AromaticContact CE1-CZ 3.37Å; Y699-F727 HydrophobicContact CE1-CZ 3.37Å; Y699-F727 AromaticContact CZ-CZ 4Å; Y699-L815 HydrophobicContact CE2-CD1 4.08Å; Y699-T819 HydrophobicContact CE2-CG2 3.46Å; Y699-T819 VanDerWaalsContact CE2-CG2 3.46Å; Y699-T819 VanDerWaalsContact CZ-CG2 3.45Å; Y699-T819 WeakPolarHBondContact OH-CG2 3.45Å; Y699-V823 HydrophobicContact CD2-CG2 3.82Å; Y699-V823 HydrophobicContact CE2-CG2 4.17Å; Y699-V823 HydrophobicContact CG-CG2 4.26Å |
| 700 | W | 71.9 | Confident | 66.4 | Low | 128 Ų | 128 | 66.4 Ų | 66.4 | 49% | 0.485 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 173.6 | 176.5 | 75 | 0 | 0 | 0 | 112.9 | L696 R697 L698 L702 L703 S704 | L696-W700 WeakPolarHBondContact O-CB 3.46Å; L696-W700 PolarHBondContact O-N 2.86Å; R697-W700 PolarHBondContact O-N 2.8Å; L698-W700 VanDerWaalsContact C-N 3.32Å; L698-W700 PolarHBondContact O-N 2.89Å; W700-L702 VanDerWaalsContact C-N 3.3Å; W700-L702 PolarHBondContact O-N 2.96Å; W700-L703 WeakPolarHBondContact O-CB 3.43Å; W700-L703 PolarHBondContact O-N 3.43Å; W700-S704 PolarHBondContact O-N 3.35Å |
| 701 | R | 69.3 | Low | 64.8 | Low | 152 Ų | 152 | 64.3 Ų | 64.3 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59 | -43.8 | 175.3 | -176.7 | 176.7 | 177 | 157.4 | 4.7 | 111.2 | R697 L698 Y699 L703 S704 E705 | R697-R701 PolarHBondContact O-N 3.5Å; L698-R701 WeakPolarHBondContact O-CB 3.5Å; L698-R701 PolarHBondContact O-N 2.8Å; Y699-R701 PolarHBondContact O-N 3.37Å; R701-L703 PolarHBondContact O-N 3.29Å; R701-S704 WeakPolarHBondContact CA-OG 3.41Å; R701-S704 PolarHBondContact O-N 3.18Å; R701-S704 PolarHBondContact O-OG 2.95Å; R701-E705 IonicContact NE-OE1 3.49Å; R701-E705 PolarHBondContact NE-OE1 3.01Å; R701-E705 PolarHBondContact O-N 3.19Å |
| 702 | L | 65.7 | Low | 63.2 | Low | 69 Ų | 69 | 69 Ų | 69 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 175.8 | -71.4 | 165.4 | 0 | 0 | 0 | 112.4 | L698 Y699 W700 | L698-L702 PolarHBondContact O-N 2.81Å; L698-L702 VanDerWaalsContact O-N 3.12Å; Y699-L702 WeakPolarHBondContact O-CB 3.45Å; Y699-L702 PolarHBondContact O-N 2.86Å; W700-L702 VanDerWaalsContact C-N 3.3Å; W700-L702 PolarHBondContact O-N 2.96Å |
| 703 | L | 65.8 | Low | 61.5 | Low | 35 Ų | 35 | 75 Ų | 75 | 18% | 0.183 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -43 | 172.4 | -83.5 | 157.3 | 0 | 0 | 0 | 112.2 | Y699 W700 R701 Y706 Q707 L815 | Y699-L703 HydrophobicContact CD1-CD1 3.85Å; Y699-L703 HydrophobicContact CE1-CD1 3.25Å; Y699-L703 HydrophobicContact CE1-CG 4.24Å; Y699-L703 HydrophobicContact CE2-CD1 4.27Å; Y699-L703 HydrophobicContact CE2-CG 4.44Å; Y699-L703 VanDerWaalsContact CZ-CD1 3.47Å; Y699-L703 PolarHBondContact O-N 2.96Å; W700-L703 WeakPolarHBondContact O-CB 3.43Å; W700-L703 PolarHBondContact O-N 3.43Å; R701-L703 PolarHBondContact O-N 3.29Å; L703-Y706 PolarHBondContact O-N 2.89Å; L703-Q707 PolarHBondContact O-N 3.27Å; L703-L815 HydrophobicContact CD2-CD1 3.69Å; L703-L815 HydrophobicContact CD2-CD2 3.91Å; L703-L815 HydrophobicContact CD2-CG 4.41Å; L703-L815 HydrophobicContact CG-CD1 3.94Å |
| 704 | S | 63.4 | Low | 59.8 | Low | 30 Ų | 30 | 78.5 Ų | 78.5 | 21% | 0.21 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -36.1 | -178.2 | 73.8 | 0 | 0 | 0 | 0 | 113 | W700 R701 Y706 Q707 N708 | W700-S704 PolarHBondContact O-N 3.35Å; R701-S704 WeakPolarHBondContact CA-OG 3.41Å; R701-S704 PolarHBondContact O-N 3.18Å; R701-S704 PolarHBondContact O-OG 2.95Å; S704-Y706 VanDerWaalsContact C-N 3.26Å; S704-Y706 PolarHBondContact O-N 3Å; S704-Q707 PolarHBondContact O-N 3.08Å; S704-N708 PolarHBondContact O-N 3.09Å |
| 705 | E | 58.6 | Low | 58.5 | Low | 71 Ų | 71 | 82.8 Ų | 82.8 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -31.9 | 177 | -77 | 179.3 | -169.2 | 0 | 0 | 112.1 | R701 I709 | R701-E705 IonicContact NE-OE1 3.49Å; R701-E705 PolarHBondContact NE-OE1 3.01Å; R701-E705 PolarHBondContact O-N 3.19Å; E705-I709 WeakPolarHBondContact O-CD1 3.49Å; E705-I709 WeakPolarHBondContact O-CG1 3.23Å |
| 706 | Y | 52.7 | Low | 57.3 | Low | 16 Ų | 16 | 83.8 Ų | 83.8 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70 | -43.6 | 173.5 | 175.3 | -103 | 0 | 0 | 0 | 112.6 | L703 S704 N708 I709 S710 I787 T808 Y811 | L703-Y706 PolarHBondContact O-N 2.89Å; S704-Y706 VanDerWaalsContact C-N 3.26Å; S704-Y706 PolarHBondContact O-N 3Å; Y706-N708 VanDerWaalsContact C-N 3.33Å; Y706-N708 PolarHBondContact O-N 3.21Å; Y706-I709 WeakPolarHBondContact O-CB 3.28Å; Y706-I709 PolarHBondContact O-N 3.48Å; Y706-S710 PolarHBondContact O-N 3.41Å; Y706-S710 VanDerWaalsContact O-N 3.12Å; Y706-I787 HydrophobicContact CE1-CD1 3.9Å; Y706-I787 HydrophobicContact CE1-CG1 3.9Å; Y706-I787 HydrophobicContact CE1-CG2 3.97Å; Y706-I787 HydrophobicContact CE2-CD1 4.44Å; Y706-I787 WeakPolarHBondContact OH-CD1 3.16Å; Y706-T808 HydrophobicContact CE2-CG2 3.99Å; Y706-T808 WeakPolarHBondContact OH-CG2 3.06Å; Y706-Y811 HydrophobicContact CD2-CD1 4.37Å; Y706-Y811 HydrophobicContact CD2-CD2 4.1Å; Y706-Y811 AromaticContact CD2-CG 3.73Å; Y706-Y811 HydrophobicContact CD2-CG 3.73Å; Y706-Y811 HydrophobicContact CE2-CG 4.4Å |
| 707 | Q | 53 | Low | 55.8 | Low | 56 Ų | 56 | 87.9 Ų | 87.9 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | -177.7 | -77 | -175.1 | -21.2 | 0 | 0 | 112.5 | L703 S704 I709 S710 M711 N720 | L703-Q707 PolarHBondContact O-N 3.27Å; S704-Q707 PolarHBondContact O-N 3.08Å; Q707-I709 PolarHBondContact O-N 3.17Å; Q707-S710 PolarHBondContact O-N 3.32Å; Q707-S710 VanDerWaalsContact O-N 3.14Å; Q707-M711 PolarHBondContact O-N 3.09Å; Q707-N720 PolarHBondContact NE2-OD1 3.16Å; Q707-N720 PolarHBondContact OE1-ND2 2.9Å; Q707-N720 PolarHBondContact OE1-OD1 3.04Å |
| 708 | N | 50.6 | Low | 54.4 | Low | 138 Ų | 138 | 88.2 Ų | 88.2 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.5 | -25.2 | 174 | -74.1 | -14 | 0 | 0 | 0 | 112.9 | S704 Y706 | S704-N708 PolarHBondContact O-N 3.09Å; Y706-N708 VanDerWaalsContact C-N 3.33Å; Y706-N708 PolarHBondContact O-N 3.21Å |
| 709 | I | 47.6 | Very low | 53.6 | Low | 79 Ų | 79 | 86.2 Ų | 86.2 | 41% | 0.405 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -84.7 | -31.3 | 177.3 | -64.3 | 169.3 | 0 | 0 | 0 | 111.1 | E705 Y706 Q707 Y811 | E705-I709 WeakPolarHBondContact O-CD1 3.49Å; E705-I709 WeakPolarHBondContact O-CG1 3.23Å; Y706-I709 WeakPolarHBondContact O-CB 3.28Å; Y706-I709 PolarHBondContact O-N 3.48Å; Q707-I709 PolarHBondContact O-N 3.17Å; I709-Y811 HydrophobicContact CD1-CD2 4.24Å; I709-Y811 HydrophobicContact CD1-CE1 4.29Å; I709-Y811 HydrophobicContact CD1-CE2 3.3Å; I709-Y811 WeakPolarHBondContact CD1-OH 3.39Å |
| 710 | S | 47.4 | Very low | 52.5 | Low | 38 Ų | 38 | 87.8 Ų | 87.8 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -97.6 | -21 | -173.9 | 70.2 | 0 | 0 | 0 | 0 | 115.7 | Y706 Q707 | Y706-S710 PolarHBondContact O-N 3.41Å; Y706-S710 VanDerWaalsContact O-N 3.12Å; Q707-S710 PolarHBondContact O-N 3.32Å; Q707-S710 VanDerWaalsContact O-N 3.14Å |
| 711 | M | 45.2 | Very low | 51.5 | Low | 48 Ų | 48 | 90.1 Ų | 90.1 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | trans | -130.3 | 119.7 | -170.5 | -89 | 167 | 78.4 | 0 | 0 | 113.9 | Q707 L713 | Q707-M711 PolarHBondContact O-N 3.09Å; M711-L713 WeakPolarHBondContact CE-O 3.34Å | ||
| 712 | S | 39.9 | Very low | 51.1 | Low | 121 Ų | 121 | 90.8 Ų | 90.8 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | trans | -97.1 | 14.7 | 156 | 64.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 713 | L | 41.1 | Very low | 51 | Low | 132 Ų | 132 | 91 Ų | 91 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -128.3 | 133.3 | -167.9 | -81.7 | 154.4 | 0 | 0 | 0 | 114.2 | M711 Q715 | M711-L713 WeakPolarHBondContact CE-O 3.34Å; L713-Q715 PolarHBondContact O-N 3.48Å |
| 714 | N | 42 | Very low | 50.7 | Low | 170 Ų | 170 | 92.1 Ų | 92.1 | 91% | 0.909 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 15.9 | -167.9 | -107.3 | -11.7 | 0 | 0 | 0 | 119 | ||
| 715 | Q | 48.2 | Very low | 50.9 | Low | 152 Ų | 152 | 94 Ų | 94 | 71% | 0.71 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 0.8 | -178.3 | -83.7 | -179.1 | -23 | 0 | 0 | 115 | L713 N717 | L713-Q715 PolarHBondContact O-N 3.48Å; Q715-N717 PolarHBondContact O-N 2.89Å |
| 716 | S | 46.7 | Very low | 51.4 | Low | 35 Ų | 35 | 93.3 Ų | 93.3 | 25% | 0.245 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -68.9 | -27 | -169.5 | 56.7 | 0 | 0 | 0 | 0 | 116 | K718 N720 | S716-K718 PolarHBondContact O-N 3.24Å; S716-N720 VanDerWaalsContact O-CG 3.26Å; S716-N720 PolarHBondContact O-N 2.87Å; S716-N720 PolarHBondContact O-ND2 3.17Å |
| 717 | N | 44.6 | Very low | 52.2 | Low | 114 Ų | 114 | 94 Ų | 94 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70 | -37.6 | -165 | -82.4 | -11.2 | 0 | 0 | 0 | 114.4 | Q715 W721 | Q715-N717 PolarHBondContact O-N 2.89Å; N717-W721 PolarHBondContact O-N 3.4Å |
| 718 | K | 46.6 | Very low | 53.1 | Low | 186 Ų | 186 | 96 Ų | 96 | 81% | 0.809 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.3 | -37.8 | -175.6 | -94.1 | -177.3 | 178.2 | 176.3 | 0 | 113.8 | S716 N720 | S716-K718 PolarHBondContact O-N 3.24Å; K718-N720 VanDerWaalsContact C-N 3.32Å |
| 719 | A | 51.9 | Low | 54.3 | Low | 27 Ų | 27 | 93.2 Ų | 93.2 | 22% | 0.223 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -69.6 | -32.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | K722 K723 | A719-K722 PolarHBondContact O-N 2.85Å; A719-K723 PolarHBondContact O-N 2.86Å |
| 720 | N | 50.9 | Low | 55.7 | Low | 46 Ų | 46 | 89.5 Ų | 89.5 | 25% | 0.246 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 177.3 | -75.6 | -6.8 | 0 | 0 | 0 | 112.1 | Q707 S716 K718 K722 K723 L724 | Q707-N720 PolarHBondContact NE2-OD1 3.16Å; Q707-N720 PolarHBondContact OE1-ND2 2.9Å; Q707-N720 PolarHBondContact OE1-OD1 3.04Å; S716-N720 VanDerWaalsContact O-CG 3.26Å; S716-N720 PolarHBondContact O-N 2.87Å; S716-N720 PolarHBondContact O-ND2 3.17Å; K718-N720 VanDerWaalsContact C-N 3.32Å; N720-K722 PolarHBondContact O-N 3.49Å; N720-K723 PolarHBondContact O-N 3.44Å; N720-L724 WeakPolarHBondContact O-CB 3.3Å; N720-L724 PolarHBondContact O-N 2.83Å |
| 721 | W | 49.7 | Very low | 57.1 | Low | 177 Ų | 177 | 88.1 Ų | 88.1 | 67% | 0.67 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.9 | -37.6 | -179.1 | -76.2 | 109 | 0 | 0 | 0 | 113.4 | N717 L724 S725 | N717-W721 PolarHBondContact O-N 3.4Å; W721-L724 HydrophobicContact CE3-CD2 4.3Å; W721-L724 HydrophobicContact CZ3-CD2 4.28Å; W721-S725 VanDerWaalsContact O-CB 3.25Å; W721-S725 WeakPolarHBondContact O-CB 3.32Å; W721-S725 PolarHBondContact O-N 3.48Å; W721-S725 PolarHBondContact O-OG 3.27Å |
| 722 | K | 61.2 | Low | 58.6 | Low | 166 Ų | 166 | 88.3 Ų | 88.3 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.1 | -39.9 | 178.2 | -71.1 | -172.4 | 177.3 | -175.4 | 0 | 113.1 | A719 N720 S725 | A719-K722 PolarHBondContact O-N 2.85Å; N720-K722 PolarHBondContact O-N 3.49Å; K722-S725 PolarHBondContact O-OG 2.87Å |
| 723 | K | 63.2 | Low | 60.7 | Low | 73 Ų | 73 | 83.8 Ų | 83.8 | 32% | 0.317 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 177.2 | -71 | 175.7 | 176.8 | 173.2 | 0 | 110.5 | A719 N720 L726 F727 H785 L786 | A719-K723 PolarHBondContact O-N 2.86Å; N720-K723 PolarHBondContact O-N 3.44Å; K723-L726 PolarHBondContact O-N 2.94Å; K723-F727 VanDerWaalsContact O-CD2 3.29Å; K723-F727 WeakPolarHBondContact O-CD2 3.45Å; K723-H785 VanDerWaalsContact CE-O 3.24Å; K723-H785 WeakPolarHBondContact CE-O 3.46Å; K723-H785 PolarHBondContact NZ-O 3.06Å; K723-L786 PolarHBondContact NZ-O 3.22Å |
| 724 | L | 61 | Low | 62.6 | Low | 60 Ų | 60 | 77.5 Ų | 77.5 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 176.1 | -176.5 | 65.4 | 0 | 0 | 0 | 112.3 | N720 W721 L726 F727 I728 | N720-L724 WeakPolarHBondContact O-CB 3.3Å; N720-L724 PolarHBondContact O-N 2.83Å; W721-L724 HydrophobicContact CE3-CD2 4.3Å; W721-L724 HydrophobicContact CZ3-CD2 4.28Å; L724-L726 PolarHBondContact O-N 3.07Å; L724-F727 PolarHBondContact O-N 3.26Å; L724-F727 VanDerWaalsContact O-N 3.16Å; L724-I728 HydrophobicContact CD1-CD1 4.18Å; L724-I728 HydrophobicContact CD1-CG1 4.27Å; L724-I728 HydrophobicContact CD2-CD1 4.11Å; L724-I728 HydrophobicContact CG-CD1 3.67Å; L724-I728 HydrophobicContact CG-CG1 4.18Å; L724-I728 WeakPolarHBondContact O-CG1 3.44Å; L724-I728 PolarHBondContact O-N 2.91Å |
| 725 | S | 66.4 | Low | 64.4 | Low | 68 Ų | 68 | 70.6 Ų | 70.6 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -31.2 | 179.8 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | W721 K722 L729 | W721-S725 VanDerWaalsContact O-CB 3.25Å; W721-S725 WeakPolarHBondContact O-CB 3.32Å; W721-S725 PolarHBondContact O-N 3.48Å; W721-S725 PolarHBondContact O-OG 3.27Å; K722-S725 PolarHBondContact O-OG 2.87Å; S725-L729 WeakPolarHBondContact O-CB 3.41Å; S725-L729 PolarHBondContact O-N 3.39Å |
| 726 | L | 68.4 | Low | 66.1 | Low | 57 Ų | 57 | 66.5 Ų | 66.5 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.7 | -41.9 | 178.1 | -168.8 | 61.6 | 0 | 0 | 0 | 112.7 | K723 L724 L729 I730 T771 I775 | K723-L726 PolarHBondContact O-N 2.94Å; L724-L726 PolarHBondContact O-N 3.07Å; L726-L729 HydrophobicContact CD1-CD2 4.48Å; L726-L729 WeakPolarHBondContact O-CB 3.43Å; L726-L729 PolarHBondContact O-N 2.9Å; L726-I730 HydrophobicContact CG-CD1 4.4Å; L726-I730 VanDerWaalsContact O-CG1 3.29Å; L726-I730 WeakPolarHBondContact O-CG1 3.49Å; L726-I730 PolarHBondContact O-N 2.99Å; L726-T771 HydrophobicContact CD1-CG2 3.93Å; L726-I775 HydrophobicContact CD1-CD1 4.21Å; L726-I775 HydrophobicContact CD2-CD1 3.35Å; L726-I775 HydrophobicContact CD2-CG1 3.67Å; L726-I775 HydrophobicContact CG-CD1 3.77Å |
| 727 | F | 70.5 | Confident | 67.8 | Low | 30 Ų | 30 | 65 Ų | 65 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -35.9 | 174.4 | -75.4 | -73.4 | 0 | 0 | 0 | 112.2 | L696 Y699 K723 L724 L729 G731 V823 | L696-F727 HydrophobicContact CD2-CB 4.18Å; L696-F727 HydrophobicContact CD2-CD1 3.8Å; L696-F727 HydrophobicContact CD2-CG 4.33Å; Y699-F727 HydrophobicContact CD1-CE1 4.34Å; Y699-F727 HydrophobicContact CD1-CE2 4.4Å; Y699-F727 HydrophobicContact CD1-CZ 4.19Å; Y699-F727 HydrophobicContact CE1-CD2 4.2Å; Y699-F727 AromaticContact CE1-CE1 3.94Å; Y699-F727 HydrophobicContact CE1-CE1 3.94Å; Y699-F727 AromaticContact CE1-CE2 3.53Å; Y699-F727 HydrophobicContact CE1-CE2 3.53Å; Y699-F727 AromaticContact CE1-CZ 3.37Å; Y699-F727 HydrophobicContact CE1-CZ 3.37Å; Y699-F727 AromaticContact CZ-CZ 4Å; K723-F727 VanDerWaalsContact O-CD2 3.29Å; K723-F727 WeakPolarHBondContact O-CD2 3.45Å; L724-F727 PolarHBondContact O-N 3.26Å; L724-F727 VanDerWaalsContact O-N 3.16Å; F727-L729 VanDerWaalsContact C-N 3.34Å; F727-G731 PolarHBondContact O-N 2.88Å; F727-V823 HydrophobicContact CE1-CG1 3.88Å |
| 728 | I | 72.1 | Confident | 69.5 | Low | 99 Ų | 99 | 59.7 Ų | 59.7 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 171.1 | -67.7 | 173.6 | 0 | 0 | 0 | 109.9 | L724 G731 S732 | L724-I728 HydrophobicContact CD1-CD1 4.18Å; L724-I728 HydrophobicContact CD1-CG1 4.27Å; L724-I728 HydrophobicContact CD2-CD1 4.11Å; L724-I728 HydrophobicContact CG-CD1 3.67Å; L724-I728 HydrophobicContact CG-CG1 4.18Å; L724-I728 WeakPolarHBondContact O-CG1 3.44Å; L724-I728 PolarHBondContact O-N 2.91Å; I728-G731 PolarHBondContact O-N 2.75Å; I728-S732 WeakPolarHBondContact O-CB 3.09Å; I728-S732 PolarHBondContact O-N 3Å; I728-S732 PolarHBondContact O-OG 3.36Å |
| 729 | L | 76.2 | Confident | 71.1 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 42% | 0.419 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 176.4 | 179.3 | 65.7 | 0 | 0 | 0 | 111.2 | S725 L726 F727 G731 S732 L733 | S725-L729 WeakPolarHBondContact O-CB 3.41Å; S725-L729 PolarHBondContact O-N 3.39Å; L726-L729 HydrophobicContact CD1-CD2 4.48Å; L726-L729 WeakPolarHBondContact O-CB 3.43Å; L726-L729 PolarHBondContact O-N 2.9Å; F727-L729 VanDerWaalsContact C-N 3.34Å; L729-G731 VanDerWaalsContact C-N 3.31Å; L729-G731 PolarHBondContact O-N 3.38Å; L729-S732 WeakPolarHBondContact CA-OG 3.25Å; L729-S732 PolarHBondContact O-N 2.66Å; L729-S732 PolarHBondContact O-OG 2.85Å; L729-L733 HydrophobicContact CD1-CD1 4.29Å; L729-L733 HydrophobicContact CD1-CG 4.38Å; L729-L733 HydrophobicContact CG-CD1 4.11Å; L729-L733 WeakPolarHBondContact O-CG 3.33Å; L729-L733 PolarHBondContact O-N 3.3Å |
| 730 | I | 76.8 | Confident | 72.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 176.5 | -69.3 | 164 | 0 | 0 | 0 | 110.6 | L726 S732 L733 L734 L768 I772 I775 L827 | L726-I730 HydrophobicContact CG-CD1 4.4Å; L726-I730 VanDerWaalsContact O-CG1 3.29Å; L726-I730 WeakPolarHBondContact O-CG1 3.49Å; L726-I730 PolarHBondContact O-N 2.99Å; I730-S732 VanDerWaalsContact C-N 3.33Å; I730-S732 PolarHBondContact O-N 3.3Å; I730-L733 PolarHBondContact O-N 3.04Å; I730-L734 HydrophobicContact CG2-CD1 4.13Å; I730-L734 PolarHBondContact O-N 3.39Å; I730-L768 HydrophobicContact CB-CD1 4.11Å; I730-L768 HydrophobicContact CG1-CD1 4.15Å; I730-L768 HydrophobicContact CG2-CD1 3.79Å; I730-I772 HydrophobicContact CD1-CG1 4.42Å; I730-I775 HydrophobicContact CD1-CD1 3.8Å; I730-L827 HydrophobicContact CG2-CB 4.49Å; I730-L827 HydrophobicContact CG2-CD1 3.81Å; I730-L827 HydrophobicContact CG2-CD2 3.92Å; I730-L827 HydrophobicContact CG2-CG 4.29Å |
| 731 | G | 76.3 | Confident | 73.8 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L692 F727 I728 L729 L734 S735 | L692-G731 WeakPolarHBondContact CD2-O 3.45Å; F727-G731 PolarHBondContact O-N 2.88Å; I728-G731 PolarHBondContact O-N 2.75Å; L729-G731 VanDerWaalsContact C-N 3.31Å; L729-G731 PolarHBondContact O-N 3.38Å; G731-L734 PolarHBondContact O-N 2.88Å; G731-S735 PolarHBondContact O-N 2.98Å; G731-S735 PolarHBondContact O-OG 3.39Å |
| 732 | S | 76.9 | Confident | 75.1 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 177.7 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | I728 L729 I730 S735 L736 | I728-S732 WeakPolarHBondContact O-CB 3.09Å; I728-S732 PolarHBondContact O-N 3Å; I728-S732 PolarHBondContact O-OG 3.36Å; L729-S732 WeakPolarHBondContact CA-OG 3.25Å; L729-S732 PolarHBondContact O-N 2.66Å; L729-S732 PolarHBondContact O-OG 2.85Å; I730-S732 VanDerWaalsContact C-N 3.33Å; I730-S732 PolarHBondContact O-N 3.3Å; S732-S735 WeakPolarHBondContact CA-OG 3.34Å; S732-S735 PolarHBondContact O-N 3.19Å; S732-S735 PolarHBondContact O-OG 3.32Å; S732-L736 WeakPolarHBondContact O-CB 3.25Å; S732-L736 PolarHBondContact O-N 2.98Å |
| 733 | L | 83.1 | Confident | 75.9 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 176.5 | -71.1 | 171.1 | 0 | 0 | 0 | 111.6 | L729 I730 L736 L737 V764 L768 | L729-L733 HydrophobicContact CD1-CD1 4.29Å; L729-L733 HydrophobicContact CD1-CG 4.38Å; L729-L733 HydrophobicContact CG-CD1 4.11Å; L729-L733 WeakPolarHBondContact O-CG 3.33Å; L729-L733 PolarHBondContact O-N 3.3Å; I730-L733 PolarHBondContact O-N 3.04Å; L733-L736 WeakPolarHBondContact O-CB 3.48Å; L733-L736 PolarHBondContact O-N 3.35Å; L733-L737 WeakPolarHBondContact O-CG 3.29Å; L733-L737 PolarHBondContact O-N 3.4Å; L733-V764 HydrophobicContact CB-CG1 4.46Å; L733-V764 HydrophobicContact CD2-CG1 4.06Å; L733-L768 HydrophobicContact CB-CD1 3.94Å; L733-L768 HydrophobicContact CD1-CB 4.44Å; L733-L768 HydrophobicContact CD1-CD1 4.06Å |
| 734 | L | 81.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 172.3 | -80.5 | 164.3 | 0 | 0 | 0 | 111.7 | L692 I730 G731 L736 L737 W738 L768 L827 L830 V831 | L692-L734 HydrophobicContact CD1-CD1 4.13Å; L692-L734 HydrophobicContact CD2-CB 3.89Å; L692-L734 HydrophobicContact CD2-CD1 4.09Å; I730-L734 HydrophobicContact CG2-CD1 4.13Å; I730-L734 PolarHBondContact O-N 3.39Å; G731-L734 PolarHBondContact O-N 2.88Å; L734-L736 VanDerWaalsContact C-N 3.27Å; L734-L736 PolarHBondContact O-N 3.21Å; L734-L737 WeakPolarHBondContact O-CB 3.36Å; L734-L737 PolarHBondContact O-N 2.72Å; L734-W738 PolarHBondContact O-N 2.9Å; L734-L768 HydrophobicContact CD2-CD2 3.73Å; L734-L768 HydrophobicContact CG-CD2 3.75Å; L734-L827 HydrophobicContact CD1-CD2 3.63Å; L734-L830 HydrophobicContact CD1-CD1 4.34Å; L734-L830 HydrophobicContact CD2-CB 3.93Å; L734-V831 HydrophobicContact CD2-CG2 4.29Å |
| 735 | S | 80.2 | Confident | 76.8 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -34.6 | 175.5 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | G731 S732 W738 M739 | G731-S735 PolarHBondContact O-N 2.98Å; G731-S735 PolarHBondContact O-OG 3.39Å; S732-S735 WeakPolarHBondContact CA-OG 3.34Å; S732-S735 PolarHBondContact O-N 3.19Å; S732-S735 PolarHBondContact O-OG 3.32Å; S735-W738 PolarHBondContact O-N 2.8Å; S735-M739 VanDerWaalsContact O-CG 3.32Å; S735-M739 WeakPolarHBondContact O-CG 3.41Å; S735-M739 PolarHBondContact O-N 2.83Å |
| 736 | L | 83.5 | Confident | 76.9 | Confident | 66 Ų | 66 | 30.6 Ų | 30.6 | 35% | 0.346 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.1 | -175.7 | 65.2 | 0 | 0 | 0 | 111.5 | S732 L733 L734 M739 M740 V764 | S732-L736 WeakPolarHBondContact O-CB 3.25Å; S732-L736 PolarHBondContact O-N 2.98Å; L733-L736 WeakPolarHBondContact O-CB 3.48Å; L733-L736 PolarHBondContact O-N 3.35Å; L734-L736 VanDerWaalsContact C-N 3.27Å; L734-L736 PolarHBondContact O-N 3.21Å; L736-M739 PolarHBondContact O-N 3.31Å; L736-M740 HydrophobicContact CD1-CE 3.93Å; L736-M740 HydrophobicContact CD2-CE 3.93Å; L736-M740 HydrophobicContact CG-CE 3.74Å; L736-M740 HydrophobicContact CG-SD 4.24Å; L736-M740 VanDerWaalsContact O-CG 3.29Å; L736-M740 WeakPolarHBondContact O-CG 3.43Å; L736-M740 PolarHBondContact O-N 2.9Å; L736-V764 HydrophobicContact CD2-CG1 4.13Å; L736-V764 HydrophobicContact CD2-CG2 3.93Å |
| 737 | L | 83.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 174.3 | -71.4 | 170.5 | 0 | 0 | 0 | 111.3 | L733 L734 M739 M740 D741 R761 V764 A765 L768 V831 | L733-L737 WeakPolarHBondContact O-CG 3.29Å; L733-L737 PolarHBondContact O-N 3.4Å; L734-L737 WeakPolarHBondContact O-CB 3.36Å; L734-L737 PolarHBondContact O-N 2.72Å; L737-M739 VanDerWaalsContact C-N 3.28Å; L737-M739 PolarHBondContact O-N 3.32Å; L737-M740 WeakPolarHBondContact O-CB 3.07Å; L737-M740 PolarHBondContact O-N 3.1Å; L737-D741 PolarHBondContact O-N 3.04Å; L737-R761 HydrophobicContact CD2-CG 3.83Å; L737-R761 VanDerWaalsContact CD2-O 3.29Å; L737-R761 WeakPolarHBondContact CD2-O 3.46Å; L737-V764 HydrophobicContact CD2-CB 3.86Å; L737-V764 HydrophobicContact CD2-CG1 3.7Å; L737-V764 HydrophobicContact CG-CG1 3.8Å; L737-A765 HydrophobicContact CD1-CB 4.38Å; L737-A765 HydrophobicContact CD2-CB 4.07Å; L737-L768 HydrophobicContact CD1-CD2 3.89Å; L737-V831 HydrophobicContact CD1-CG1 4.28Å |
| 738 | W | 80.1 | Confident | 76.1 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -34.2 | 178.7 | -59.4 | -30.7 | 0 | 0 | 0 | 113 | A688 I689 L692 L734 S735 S742 I839 | A688-W738 HydrophobicContact CB-CD2 4.19Å; A688-W738 HydrophobicContact CB-CE3 3.6Å; A688-W738 HydrophobicContact CB-CH2 3.93Å; A688-W738 HydrophobicContact CB-CZ2 4.46Å; A688-W738 HydrophobicContact CB-CZ3 3.47Å; A688-W738 VanDerWaalsContact CB-CZ3 3.47Å; I689-W738 HydrophobicContact CG1-CE3 4.25Å; I689-W738 HydrophobicContact CG1-CZ3 4.3Å; L692-W738 HydrophobicContact CB-CH2 4.39Å; L692-W738 HydrophobicContact CD2-CH2 4.07Å; L692-W738 HydrophobicContact CD2-CZ3 4.14Å; L734-W738 PolarHBondContact O-N 2.9Å; S735-W738 PolarHBondContact O-N 2.8Å; W738-S742 WeakPolarHBondContact O-CB 3.48Å; W738-S742 PolarHBondContact O-N 3.23Å; W738-S742 VanDerWaalsContact O-N 3.13Å; W738-S742 PolarHBondContact O-OG 3.1Å; W738-I839 HydrophobicContact CH2-CD1 3.77Å; W738-I839 HydrophobicContact CZ2-CD1 4.08Å |
| 739 | M | 80 | Confident | 75.7 | Confident | 96 Ų | 96 | 37.7 Ų | 37.7 | 47% | 0.473 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 172.6 | -74.4 | 179.4 | 64.5 | 0 | 0 | 112.3 | V685 S735 L736 L737 S742 A743 | V685-M739 HydrophobicContact CG1-CG 4.43Å; S735-M739 VanDerWaalsContact O-CG 3.32Å; S735-M739 WeakPolarHBondContact O-CG 3.41Å; S735-M739 PolarHBondContact O-N 2.83Å; L736-M739 PolarHBondContact O-N 3.31Å; L737-M739 VanDerWaalsContact C-N 3.28Å; L737-M739 PolarHBondContact O-N 3.32Å; M739-S742 WeakPolarHBondContact O-CB 3.46Å; M739-S742 PolarHBondContact O-N 2.9Å; M739-A743 WeakPolarHBondContact O-CB 3.41Å; M739-A743 PolarHBondContact O-N 3.42Å |
| 740 | M | 80.6 | Confident | 75.1 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 16% | 0.163 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -44 | 177.2 | -74.2 | 173.7 | 172.8 | 0 | 0 | 111.9 | L736 L737 S742 A743 E744 V760 R761 V764 | L736-M740 HydrophobicContact CD1-CE 3.93Å; L736-M740 HydrophobicContact CD2-CE 3.93Å; L736-M740 HydrophobicContact CG-CE 3.74Å; L736-M740 HydrophobicContact CG-SD 4.24Å; L736-M740 VanDerWaalsContact O-CG 3.29Å; L736-M740 WeakPolarHBondContact O-CG 3.43Å; L736-M740 PolarHBondContact O-N 2.9Å; L737-M740 WeakPolarHBondContact O-CB 3.07Å; L737-M740 PolarHBondContact O-N 3.1Å; M740-S742 VanDerWaalsContact C-N 3.25Å; M740-S742 PolarHBondContact O-N 3.38Å; M740-A743 PolarHBondContact O-N 3.08Å; M740-A743 VanDerWaalsContact O-N 3.14Å; M740-E744 PolarHBondContact O-N 2.85Å; M740-V760 HydrophobicContact CE-CG1 3.46Å; M740-V760 VanDerWaalsContact CE-CG1 3.46Å; M740-V760 HydrophobicContact SD-CG1 4.14Å; M740-R761 HydrophobicContact CB-CB 4.31Å; M740-R761 HydrophobicContact SD-CB 4.15Å; M740-V764 HydrophobicContact CE-CG2 4Å; M740-V764 HydrophobicContact SD-CG2 4.1Å |
| 741 | D | 78.3 | Confident | 74.7 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 175.1 | -61.1 | -47.7 | 0 | 0 | 0 | 111.9 | L737 E744 S745 R761 N834 | L737-D741 PolarHBondContact O-N 3.04Å; D741-E744 PolarHBondContact O-N 3.14Å; D741-S745 PolarHBondContact O-N 3.1Å; D741-R761 WeakPolarHBondContact OD1-CD 3.27Å; D741-R761 IonicContact OD1-CZ 3.8Å; D741-R761 IonicContact OD1-NE 3.39Å; D741-R761 PolarHBondContact OD1-NE 2.93Å; D741-R761 IonicContact OD2-NE 3.23Å; D741-N834 PolarHBondContact OD1-ND2 3.13Å; D741-N834 PolarHBondContact OD2-ND2 3.37Å; D741-N834 PolarHBondContact OD2-OD1 2.99Å |
| 742 | S | 78 | Confident | 74.5 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 173.7 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | V685 W738 M739 M740 E744 S745 T746 | V685-S742 VanDerWaalsContact CG2-OG 3.31Å; V685-S742 WeakPolarHBondContact CG2-OG 3.15Å; W738-S742 WeakPolarHBondContact O-CB 3.48Å; W738-S742 PolarHBondContact O-N 3.23Å; W738-S742 VanDerWaalsContact O-N 3.13Å; W738-S742 PolarHBondContact O-OG 3.1Å; M739-S742 WeakPolarHBondContact O-CB 3.46Å; M739-S742 PolarHBondContact O-N 2.9Å; M740-S742 VanDerWaalsContact C-N 3.25Å; M740-S742 PolarHBondContact O-N 3.38Å; S742-E744 VanDerWaalsContact C-N 3.33Å; S742-S745 PolarHBondContact O-N 3.39Å; S742-S745 PolarHBondContact O-OG 3.21Å; S742-T746 PolarHBondContact O-OG1 3.22Å; S742-T746 VanDerWaalsContact O-OG1 3.07Å |
| 743 | A | 77.6 | Confident | 74.2 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -33.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M739 M740 S745 T746 N747 W748 | M739-A743 WeakPolarHBondContact O-CB 3.41Å; M739-A743 PolarHBondContact O-N 3.42Å; M740-A743 PolarHBondContact O-N 3.08Å; M740-A743 VanDerWaalsContact O-N 3.14Å; A743-S745 VanDerWaalsContact C-N 3.34Å; A743-T746 PolarHBondContact O-N 2.97Å; A743-N747 PolarHBondContact O-N 2.93Å; A743-W748 PolarHBondContact O-N 3.17Å |
| 744 | E | 74 | Confident | 73.7 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.8 | -167.7 | 175.8 | 177.2 | 0 | 0 | 111.4 | K208 M740 D741 S742 T746 | K208-E744 VanDerWaalsContact NZ-CD 3.32Å; K208-E744 IonicContact NZ-OE1 2.97Å; K208-E744 PolarHBondContact NZ-OE1 3.36Å; K208-E744 IonicContact NZ-OE2 2.95Å; K208-E744 PolarHBondContact NZ-OE2 3.41Å; M740-E744 PolarHBondContact O-N 2.85Å; D741-E744 PolarHBondContact O-N 3.14Å; S742-E744 VanDerWaalsContact C-N 3.33Å; E744-T746 PolarHBondContact O-N 3.38Å |
| 745 | S | 69.5 | Low | 73.2 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 179.4 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | L668 P673 F677 D741 S742 A743 | L668-S745 VanDerWaalsContact O-CB 3.26Å; L668-S745 WeakPolarHBondContact O-CB 3.4Å; P673-S745 VanDerWaalsContact CG-O 3.24Å; P673-S745 WeakPolarHBondContact CG-O 3.39Å; F677-S745 WeakPolarHBondContact CD2-OG 3.39Å; F677-S745 WeakPolarHBondContact CE2-OG 3.27Å; D741-S745 PolarHBondContact O-N 3.1Å; S742-S745 PolarHBondContact O-N 3.39Å; S742-S745 PolarHBondContact O-OG 3.21Å; A743-S745 VanDerWaalsContact C-N 3.34Å |
| 746 | T | 67.8 | Low | 73.1 | Confident | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -94.8 | -7.7 | -171 | 37.9 | 0 | 0 | 0 | 0 | 114 | F677 S742 A743 E744 W748 | F677-T746 HydrophobicContact CD1-CG2 3.11Å; F677-T746 HydrophobicContact CE1-CG2 3.28Å; F677-T746 HydrophobicContact CG-CG2 3.8Å; F677-T746 HydrophobicContact CZ-CG2 4.07Å; S742-T746 PolarHBondContact O-OG1 3.22Å; S742-T746 VanDerWaalsContact O-OG1 3.07Å; A743-T746 PolarHBondContact O-N 2.97Å; E744-T746 PolarHBondContact O-N 3.38Å; T746-W748 PolarHBondContact O-N 2.57Å; T746-W748 WeakPolarHBondContact OG1-CB 2.96Å |
| 747 | N | 63.9 | Low | 72.8 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 37.2 | -161.1 | -86.2 | -18.7 | 0 | 0 | 0 | 111 | A743 I749 R750 K754 | A743-N747 PolarHBondContact O-N 2.93Å; N747-I749 PolarHBondContact O-N 2.9Å; N747-I749 VanDerWaalsContact O-N 3.12Å; N747-R750 PolarHBondContact O-N 3.42Å; N747-K754 WeakPolarHBondContact OD1-CE 3.44Å; N747-K754 WeakPolarHBondContact OD1-CG 3.26Å |
| 748 | W | 59.4 | Low | 72.6 | Confident | 192 Ų | 192 | 66.2 Ų | 66.2 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | trans | -55.8 | -37.3 | -172.5 | -168.2 | 7.3 | 0 | 0 | 0 | 111.1 | A743 T746 R750 | A743-W748 PolarHBondContact O-N 3.17Å; T746-W748 PolarHBondContact O-N 2.57Å; T746-W748 WeakPolarHBondContact OG1-CB 2.96Å; W748-R750 PolarHBondContact O-N 3.38Å | ||
| 749 | I | 62.1 | Low | 72.7 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | trans | -98.3 | 76.8 | 177.1 | -45.5 | 175.4 | 0 | 0 | 0 | 108.8 | N747 F751 I752 L757 | N747-I749 PolarHBondContact O-N 2.9Å; N747-I749 VanDerWaalsContact O-N 3.12Å; I749-F751 PolarHBondContact O-N 2.99Å; I749-I752 HydrophobicContact CB-CB 4.46Å; I749-I752 HydrophobicContact CB-CG1 4.5Å; I749-I752 HydrophobicContact CD1-CD1 4.31Å; I749-I752 HydrophobicContact CG2-CB 4.02Å; I749-I752 HydrophobicContact CG2-CD1 3.73Å; I749-I752 HydrophobicContact CG2-CG1 3.59Å; I749-I752 PolarHBondContact O-N 3.36Å; I749-L757 HydrophobicContact CD1-CD2 4.16Å | ||
| 750 | R | 64 | Low | 72.9 | Confident | 229 Ų | 229 | 66.6 Ų | 66.6 | 86% | 0.864 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -22.3 | 178.2 | -69.9 | -174.4 | -178.2 | 179.9 | 0 | 114.4 | N747 W748 | N747-R750 PolarHBondContact O-N 3.42Å; W748-R750 PolarHBondContact O-N 3.38Å |
| 751 | F | 69.4 | Low | 73.1 | Confident | 196 Ų | 196 | 65.7 Ų | 65.7 | 86% | 0.86 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -17.5 | 179.4 | -57.2 | -72.3 | 0 | 0 | 0 | 114.4 | I749 | I749-F751 PolarHBondContact O-N 2.99Š|
| 752 | I | 70.4 | Confident | 73.5 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -108.4 | 116.9 | 179.8 | -56.4 | 177.9 | 0 | 0 | 0 | 108.4 | I749 K756 L757 | I749-I752 HydrophobicContact CB-CB 4.46Å; I749-I752 HydrophobicContact CB-CG1 4.5Å; I749-I752 HydrophobicContact CD1-CD1 4.31Å; I749-I752 HydrophobicContact CG2-CB 4.02Å; I749-I752 HydrophobicContact CG2-CD1 3.73Å; I749-I752 HydrophobicContact CG2-CG1 3.59Å; I749-I752 PolarHBondContact O-N 3.36Å; I752-K756 HydrophobicContact CG2-CB 3.8Å; I752-L757 HydrophobicContact CB-CD2 4.14Å; I752-L757 HydrophobicContact CB-CG 4.14Å; I752-L757 HydrophobicContact CD1-CD2 4.16Å; I752-L757 HydrophobicContact CG2-CD2 3.82Å; I752-L757 HydrophobicContact CG2-CG 3.68Å |
| 753 | P | 71.4 | Confident | 73.9 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | trans | -51.8 | 142.2 | 170 | -28.3 | 36.4 | 0 | 0 | 0 | 112.6 | D755 K756 L757 | P753-D755 VanDerWaalsContact C-N 3.26Å; P753-D755 WeakPolarHBondContact CB-OD1 2.95Å; P753-D755 PolarHBondContact O-N 3.46Å; P753-K756 HydrophobicContact CB-CG 4.48Å; P753-K756 HydrophobicContact CG-CD 4.39Å; P753-K756 PolarHBondContact O-N 3.4Å; P753-K756 VanDerWaalsContact O-N 3.07Å; P753-L757 PolarHBondContact O-N 2.9Å | ||
| 754 | K | 72.2 | Confident | 74.5 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.6 | -38.9 | -176.1 | -74.4 | -175.5 | 176.1 | 179.6 | 0 | 112.6 | Y263 E269 N747 K756 L757 H758 | Y263-K754 PolarHBondContact OH-NZ 3.08Å; E269-K754 IonicContact OE1-NZ 2.81Å; N747-K754 WeakPolarHBondContact OD1-CE 3.44Å; N747-K754 WeakPolarHBondContact OD1-CG 3.26Å; K754-K756 PolarHBondContact O-N 3.44Å; K754-L757 PolarHBondContact O-N 3.16Å; K754-H758 PolarHBondContact O-N 2.92Å |
| 755 | D | 70.8 | Confident | 75.2 | Confident | 97 Ų | 97 | 72 Ų | 72 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55 | -48.9 | 174.5 | 55.7 | -56.9 | 0 | 0 | 0 | 111.5 | P753 L757 H758 T759 | P753-D755 VanDerWaalsContact C-N 3.26Å; P753-D755 WeakPolarHBondContact CB-OD1 2.95Å; P753-D755 PolarHBondContact O-N 3.46Å; D755-L757 PolarHBondContact O-N 3.03Å; D755-H758 WeakPolarHBondContact O-CB 3.35Å; D755-H758 PolarHBondContact O-N 3.22Å; D755-H758 VanDerWaalsContact O-N 3.13Å; D755-T759 PolarHBondContact O-N 3.49Å; D755-T759 PolarHBondContact O-OG1 2.82Å; D755-T759 VanDerWaalsContact O-OG1 3.09Å |
| 756 | K | 78.2 | Confident | 76.1 | Confident | 122 Ų | 122 | 74.7 Ų | 74.7 | 53% | 0.53 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 179.3 | -66.6 | -173.2 | -175.7 | 175.4 | 0 | 112.9 | I752 P753 K754 H758 T759 V760 | I752-K756 HydrophobicContact CG2-CB 3.8Å; P753-K756 HydrophobicContact CB-CG 4.48Å; P753-K756 HydrophobicContact CG-CD 4.39Å; P753-K756 PolarHBondContact O-N 3.4Å; P753-K756 VanDerWaalsContact O-N 3.07Å; K754-K756 PolarHBondContact O-N 3.44Å; K756-H758 VanDerWaalsContact C-N 3.3Å; K756-T759 PolarHBondContact O-N 2.95Å; K756-V760 VanDerWaalsContact O-CG2 3.32Å; K756-V760 WeakPolarHBondContact O-CG2 3.21Å; K756-V760 PolarHBondContact O-N 2.97Å; K756-V760 VanDerWaalsContact O-N 3.12Å |
| 757 | L | 78.5 | Confident | 77.1 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 173.8 | -72.3 | 173.1 | 0 | 0 | 0 | 111 | I749 I752 P753 K754 D755 V760 R761 | I749-L757 HydrophobicContact CD1-CD2 4.16Å; I752-L757 HydrophobicContact CB-CD2 4.14Å; I752-L757 HydrophobicContact CB-CG 4.14Å; I752-L757 HydrophobicContact CD1-CD2 4.16Å; I752-L757 HydrophobicContact CG2-CD2 3.82Å; I752-L757 HydrophobicContact CG2-CG 3.68Å; P753-L757 PolarHBondContact O-N 2.9Å; K754-L757 PolarHBondContact O-N 3.16Å; D755-L757 PolarHBondContact O-N 3.03Å; L757-V760 PolarHBondContact O-N 3.28Å; L757-R761 PolarHBondContact O-N 2.98Å |
| 758 | H | 77.7 | Confident | 78.2 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 7% | 0.069 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177.7 | -172.4 | 44.5 | 0 | 0 | 0 | 112.4 | K208 K754 D755 K756 V760 R761 I762 | K208-H758 PolarHBondContact NZ-CE1 3.35Å; K208-H758 VanDerWaalsContact NZ-CE1 3.29Å; K208-H758 PolarHBondContact NZ-ND1 3.48Å; K754-H758 PolarHBondContact O-N 2.92Å; D755-H758 WeakPolarHBondContact O-CB 3.35Å; D755-H758 PolarHBondContact O-N 3.22Å; D755-H758 VanDerWaalsContact O-N 3.13Å; K756-H758 VanDerWaalsContact C-N 3.3Å; H758-V760 VanDerWaalsContact C-N 3.32Å; H758-V760 PolarHBondContact O-N 2.8Å; H758-R761 WeakPolarHBondContact O-CB 3.24Å; H758-R761 PolarHBondContact O-N 3.26Å; H758-I762 WeakPolarHBondContact O-CG1 3.34Å; H758-I762 PolarHBondContact O-N 3.47Å |
| 759 | T | 82.2 | Confident | 79.6 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.3 | -48.7 | 173.5 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | D755 K756 R761 I762 W763 E917 | D755-T759 PolarHBondContact O-N 3.49Å; D755-T759 PolarHBondContact O-OG1 2.82Å; D755-T759 VanDerWaalsContact O-OG1 3.09Å; K756-T759 PolarHBondContact O-N 2.95Å; T759-R761 PolarHBondContact O-N 3.41Å; T759-I762 PolarHBondContact O-N 2.91Å; T759-W763 PolarHBondContact O-N 3.37Å; T759-E917 WeakPolarHBondContact CB-OE1 3.23Å; T759-E917 VanDerWaalsContact CG2-OE2 3.27Å; T759-E917 WeakPolarHBondContact CG2-OE2 3.26Å; T759-E917 PolarHBondContact OG1-OE1 3.48Å; T759-E917 PolarHBondContact OG1-OE2 3.5Å |
| 760 | V | 84.7 | Confident | 80.9 | Confident | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | -179.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | M740 K756 L757 H758 I762 W763 V764 | M740-V760 HydrophobicContact CE-CG1 3.46Å; M740-V760 VanDerWaalsContact CE-CG1 3.46Å; M740-V760 HydrophobicContact SD-CG1 4.14Å; K756-V760 VanDerWaalsContact O-CG2 3.32Å; K756-V760 WeakPolarHBondContact O-CG2 3.21Å; K756-V760 PolarHBondContact O-N 2.97Å; K756-V760 VanDerWaalsContact O-N 3.12Å; L757-V760 PolarHBondContact O-N 3.28Å; H758-V760 VanDerWaalsContact C-N 3.32Å; H758-V760 PolarHBondContact O-N 2.8Å; V760-I762 VanDerWaalsContact C-N 3.28Å; V760-I762 PolarHBondContact O-N 3.42Å; V760-W763 PolarHBondContact O-N 2.94Å; V760-V764 WeakPolarHBondContact O-CG2 3.29Å; V760-V764 PolarHBondContact O-N 3.03Å |
| 761 | R | 85.9 | Confident | 82 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.9 | -46.2 | 173.9 | 175.5 | -157.2 | 174.3 | -84.9 | -4.1 | 111.1 | L737 M740 D741 L757 H758 T759 W763 V764 A765 N834 A914 | L737-R761 HydrophobicContact CD2-CG 3.83Å; L737-R761 VanDerWaalsContact CD2-O 3.29Å; L737-R761 WeakPolarHBondContact CD2-O 3.46Å; M740-R761 HydrophobicContact CB-CB 4.31Å; M740-R761 HydrophobicContact SD-CB 4.15Å; D741-R761 WeakPolarHBondContact OD1-CD 3.27Å; D741-R761 IonicContact OD1-CZ 3.8Å; D741-R761 IonicContact OD1-NE 3.39Å; D741-R761 PolarHBondContact OD1-NE 2.93Å; D741-R761 IonicContact OD2-NE 3.23Å; L757-R761 PolarHBondContact O-N 2.98Å; H758-R761 WeakPolarHBondContact O-CB 3.24Å; H758-R761 PolarHBondContact O-N 3.26Å; T759-R761 PolarHBondContact O-N 3.41Å; R761-W763 PolarHBondContact O-N 2.95Å; R761-V764 PolarHBondContact O-N 3.36Å; R761-A765 PolarHBondContact O-N 3.46Å; R761-N834 PolarHBondContact NH2-ND2 3.02Å; R761-N834 VanDerWaalsContact NH2-ND2 3.14Å; R761-A914 PolarHBondContact NH1-O 3.48Å |
| 762 | I | 85.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 179.6 | -69.7 | 171.4 | 0 | 0 | 0 | 111.4 | H758 T759 V760 V764 A765 R766 E917 | H758-I762 WeakPolarHBondContact O-CG1 3.34Å; H758-I762 PolarHBondContact O-N 3.47Å; T759-I762 PolarHBondContact O-N 2.91Å; V760-I762 VanDerWaalsContact C-N 3.28Å; V760-I762 PolarHBondContact O-N 3.42Å; I762-V764 PolarHBondContact O-N 3.35Å; I762-A765 PolarHBondContact O-N 2.66Å; I762-R766 HydrophobicContact CG2-CG 4.39Å; I762-R766 WeakPolarHBondContact O-CB 3.42Å; I762-R766 WeakPolarHBondContact O-CG 3.25Å; I762-R766 PolarHBondContact O-N 2.91Å; I762-E917 HydrophobicContact CD1-CB 3.44Å; I762-E917 VanDerWaalsContact CD1-CB 3.44Å; I762-E917 HydrophobicContact CD1-CG 3.8Å; I762-E917 HydrophobicContact CG2-CB 4.48Å |
| 763 | W | 87.6 | Confident | 83.8 | Confident | 146 Ų | 146 | 51.1 Ų | 51.1 | 55% | 0.553 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.7 | -42.9 | 174.9 | -81 | 105.9 | 0 | 0 | 0 | 112.6 | T759 V760 R761 A765 R766 I767 | T759-W763 PolarHBondContact O-N 3.37Å; V760-W763 PolarHBondContact O-N 2.94Å; R761-W763 PolarHBondContact O-N 2.95Å; W763-A765 VanDerWaalsContact C-N 3.35Å; W763-A765 PolarHBondContact O-N 2.92Å; W763-R766 PolarHBondContact O-N 3.5Å; W763-I767 VanDerWaalsContact O-CG1 3.29Å; W763-I767 WeakPolarHBondContact O-CG1 3.12Å; W763-I767 PolarHBondContact O-N 2.97Å |
| 764 | V | 88.7 | Confident | 84.6 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L733 L736 L737 M740 V760 R761 I762 R766 I767 L768 | L733-V764 HydrophobicContact CB-CG1 4.46Å; L733-V764 HydrophobicContact CD2-CG1 4.06Å; L736-V764 HydrophobicContact CD2-CG1 4.13Å; L736-V764 HydrophobicContact CD2-CG2 3.93Å; L737-V764 HydrophobicContact CD2-CB 3.86Å; L737-V764 HydrophobicContact CD2-CG1 3.7Å; L737-V764 HydrophobicContact CG-CG1 3.8Å; M740-V764 HydrophobicContact CE-CG2 4Å; M740-V764 HydrophobicContact SD-CG2 4.1Å; V760-V764 WeakPolarHBondContact O-CG2 3.29Å; V760-V764 PolarHBondContact O-N 3.03Å; R761-V764 PolarHBondContact O-N 3.36Å; I762-V764 PolarHBondContact O-N 3.35Å; V764-R766 PolarHBondContact O-N 2.93Å; V764-I767 PolarHBondContact O-N 3.29Å; V764-L768 WeakPolarHBondContact O-CB 3.35Å; V764-L768 PolarHBondContact O-N 2.98Å |
| 765 | A | 88.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L737 R761 I762 W763 L768 L769 V831 | L737-A765 HydrophobicContact CD1-CB 4.38Å; L737-A765 HydrophobicContact CD2-CB 4.07Å; R761-A765 PolarHBondContact O-N 3.46Å; I762-A765 PolarHBondContact O-N 2.66Å; W763-A765 VanDerWaalsContact C-N 3.35Å; W763-A765 PolarHBondContact O-N 2.92Å; A765-L768 WeakPolarHBondContact O-CB 3.31Å; A765-L768 PolarHBondContact O-N 2.9Å; A765-L769 WeakPolarHBondContact O-CB 3.42Å; A765-L769 WeakPolarHBondContact O-CG 3.22Å; A765-L769 PolarHBondContact O-N 3.19Å; A765-V831 HydrophobicContact CB-CG1 3.62Å |
| 766 | R | 88.8 | Confident | 86.1 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 177.3 | -74.7 | 173.5 | 174.7 | 178.9 | -2.7 | 112.1 | I762 W763 V764 L768 L769 I770 A915 | I762-R766 HydrophobicContact CG2-CG 4.39Å; I762-R766 WeakPolarHBondContact O-CB 3.42Å; I762-R766 WeakPolarHBondContact O-CG 3.25Å; I762-R766 PolarHBondContact O-N 2.91Å; W763-R766 PolarHBondContact O-N 3.5Å; V764-R766 PolarHBondContact O-N 2.93Å; R766-L768 VanDerWaalsContact C-N 3.28Å; R766-L768 PolarHBondContact O-N 2.87Å; R766-L769 PolarHBondContact O-N 3.23Å; R766-I770 WeakPolarHBondContact O-CB 3.26Å; R766-I770 VanDerWaalsContact O-CG1 3.23Å; R766-I770 WeakPolarHBondContact O-CG1 3.48Å; R766-I770 PolarHBondContact O-N 3.44Å; R766-A915 WeakPolarHBondContact CG-O 3.47Å; R766-A915 PolarHBondContact NE-O 3.2Å |
| 767 | I | 88.8 | Confident | 86.6 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 46% | 0.456 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 177.8 | -69.3 | 166 | 0 | 0 | 0 | 110.3 | W763 V764 T771 | W763-I767 VanDerWaalsContact O-CG1 3.29Å; W763-I767 WeakPolarHBondContact O-CG1 3.12Å; W763-I767 PolarHBondContact O-N 2.97Å; V764-I767 PolarHBondContact O-N 3.29Å; I767-T771 WeakPolarHBondContact O-CB 3.28Å; I767-T771 PolarHBondContact O-N 3.29Å; I767-T771 PolarHBondContact O-OG1 2.82Å |
| 768 | L | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 177.1 | -179.8 | 65.6 | 0 | 0 | 0 | 111.7 | I730 L733 L734 L737 V764 A765 R766 T771 I772 V831 | I730-L768 HydrophobicContact CB-CD1 4.11Å; I730-L768 HydrophobicContact CG1-CD1 4.15Å; I730-L768 HydrophobicContact CG2-CD1 3.79Å; L733-L768 HydrophobicContact CB-CD1 3.94Å; L733-L768 HydrophobicContact CD1-CB 4.44Å; L733-L768 HydrophobicContact CD1-CD1 4.06Å; L734-L768 HydrophobicContact CD2-CD2 3.73Å; L734-L768 HydrophobicContact CG-CD2 3.75Å; L737-L768 HydrophobicContact CD1-CD2 3.89Å; V764-L768 WeakPolarHBondContact O-CB 3.35Å; V764-L768 PolarHBondContact O-N 2.98Å; A765-L768 WeakPolarHBondContact O-CB 3.31Å; A765-L768 PolarHBondContact O-N 2.9Å; R766-L768 VanDerWaalsContact C-N 3.28Å; R766-L768 PolarHBondContact O-N 2.87Å; L768-T771 WeakPolarHBondContact O-CB 3.48Å; L768-T771 PolarHBondContact O-N 3.43Å; L768-I772 HydrophobicContact CD1-CD1 4.16Å; L768-I772 HydrophobicContact CG-CD1 3.99Å; L768-I772 VanDerWaalsContact O-CG1 3.31Å; L768-I772 WeakPolarHBondContact O-CG1 3.41Å; L768-I772 PolarHBondContact O-N 3.5Å; L768-V831 HydrophobicContact CD2-CG2 3.33Å; L768-V831 HydrophobicContact CG-CG2 4Å |
| 769 | L | 88.4 | Confident | 87.2 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 178.2 | -74.6 | 168.5 | 0 | 0 | 0 | 111.9 | A765 R766 T771 I772 F773 V831 F832 A915 | A765-L769 WeakPolarHBondContact O-CB 3.42Å; A765-L769 WeakPolarHBondContact O-CG 3.22Å; A765-L769 PolarHBondContact O-N 3.19Å; R766-L769 PolarHBondContact O-N 3.23Å; L769-T771 VanDerWaalsContact C-N 3.26Å; L769-T771 PolarHBondContact O-N 3.33Å; L769-I772 PolarHBondContact O-N 2.92Å; L769-F773 HydrophobicContact CB-CD2 4.37Å; L769-F773 HydrophobicContact CB-CE2 4.36Å; L769-F773 HydrophobicContact CD2-CE2 4.39Å; L769-F773 WeakPolarHBondContact O-CB 3.35Å; L769-F773 WeakPolarHBondContact O-CD2 3.28Å; L769-F773 PolarHBondContact O-N 3.26Å; L769-V831 HydrophobicContact CD1-CG1 4.09Å; L769-V831 HydrophobicContact CD2-CB 4.19Å; L769-V831 HydrophobicContact CD2-CG1 4.47Å; L769-V831 HydrophobicContact CD2-CG2 4.13Å; L769-V831 HydrophobicContact CG-CB 4.33Å; L769-V831 HydrophobicContact CG-CG1 4.08Å; L769-V831 HydrophobicContact CG-CG2 4.32Å; L769-F832 HydrophobicContact CD1-CE1 3.81Å; L769-F832 HydrophobicContact CD1-CZ 3.68Å; L769-F832 HydrophobicContact CD2-CE2 3.91Å; L769-F832 HydrophobicContact CD2-CZ 3.76Å; L769-F832 HydrophobicContact CG-CZ 4.4Å; L769-A915 HydrophobicContact CD1-CB 3.69Å |
| 770 | I | 89.5 | Confident | 87.2 | Confident | 115 Ų | 115 | 52.8 Ų | 52.8 | 59% | 0.59 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.2 | -41.8 | 176.7 | -70 | 166 | 0 | 0 | 0 | 110.5 | R766 F773 Y774 | R766-I770 WeakPolarHBondContact O-CB 3.26Å; R766-I770 VanDerWaalsContact O-CG1 3.23Å; R766-I770 WeakPolarHBondContact O-CG1 3.48Å; R766-I770 PolarHBondContact O-N 3.44Å; I770-F773 PolarHBondContact O-N 3.15Å; I770-Y774 VanDerWaalsContact O-CB 3.26Å; I770-Y774 WeakPolarHBondContact O-CB 3.49Å; I770-Y774 PolarHBondContact O-N 3.31Å |
| 771 | T | 87.1 | Confident | 87.1 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | L726 I767 L768 L769 Y774 I775 | L726-T771 HydrophobicContact CD1-CG2 3.93Å; I767-T771 WeakPolarHBondContact O-CB 3.28Å; I767-T771 PolarHBondContact O-N 3.29Å; I767-T771 PolarHBondContact O-OG1 2.82Å; L768-T771 WeakPolarHBondContact O-CB 3.48Å; L768-T771 PolarHBondContact O-N 3.43Å; L769-T771 VanDerWaalsContact C-N 3.26Å; L769-T771 PolarHBondContact O-N 3.33Å; T771-Y774 PolarHBondContact O-N 2.8Å; T771-I775 HydrophobicContact CG2-CD1 4.18Å; T771-I775 WeakPolarHBondContact O-CD1 3.05Å; T771-I775 VanDerWaalsContact O-CG1 3.22Å; T771-I775 WeakPolarHBondContact O-CG1 3.24Å; T771-I775 PolarHBondContact O-N 3.36Å |
| 772 | I | 88.1 | Confident | 86.7 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 177.6 | -68.4 | 166.4 | 0 | 0 | 0 | 110.8 | I730 L768 L769 Y774 I775 F776 L824 L827 | I730-I772 HydrophobicContact CD1-CG1 4.42Å; L768-I772 HydrophobicContact CD1-CD1 4.16Å; L768-I772 HydrophobicContact CG-CD1 3.99Å; L768-I772 VanDerWaalsContact O-CG1 3.31Å; L768-I772 WeakPolarHBondContact O-CG1 3.41Å; L768-I772 PolarHBondContact O-N 3.5Å; L769-I772 PolarHBondContact O-N 2.92Å; I772-Y774 PolarHBondContact O-N 3.41Å; I772-I775 PolarHBondContact O-N 3.21Å; I772-F776 PolarHBondContact O-N 3.32Å; I772-L824 HydrophobicContact CG2-CB 4.02Å; I772-L824 HydrophobicContact CG2-CD2 4.05Å; I772-L827 HydrophobicContact CD1-CB 3.79Å |
| 773 | F | 89.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 57.4 Ų | 57.4 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.7 | -79.5 | -61.1 | 0 | 0 | 0 | 111.9 | L769 I770 I775 F776 F777 | L769-F773 HydrophobicContact CB-CD2 4.37Å; L769-F773 HydrophobicContact CB-CE2 4.36Å; L769-F773 HydrophobicContact CD2-CE2 4.39Å; L769-F773 WeakPolarHBondContact O-CB 3.35Å; L769-F773 WeakPolarHBondContact O-CD2 3.28Å; L769-F773 PolarHBondContact O-N 3.26Å; I770-F773 PolarHBondContact O-N 3.15Å; F773-I775 VanDerWaalsContact C-N 3.34Å; F773-I775 PolarHBondContact O-N 3.06Å; F773-F776 WeakPolarHBondContact O-CB 3.15Å; F773-F776 PolarHBondContact O-N 3.37Å; F773-F777 HydrophobicContact CB-CD2 4.43Å; F773-F777 HydrophobicContact CB-CE2 4.42Å; F773-F777 WeakPolarHBondContact O-CD2 3.27Å; F773-F777 PolarHBondContact O-N 3.49Å |
| 774 | Y | 89.2 | Confident | 85.4 | Confident | 148 Ų | 148 | 50.7 Ų | 50.7 | 58% | 0.58 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -57.8 | -47.2 | 175 | 176.1 | -97 | 0 | 0 | 0 | 111.3 | I770 T771 I772 F776 F777 Q778 | I770-Y774 VanDerWaalsContact O-CB 3.26Å; I770-Y774 WeakPolarHBondContact O-CB 3.49Å; I770-Y774 PolarHBondContact O-N 3.31Å; T771-Y774 PolarHBondContact O-N 2.8Å; I772-Y774 PolarHBondContact O-N 3.41Å; Y774-F776 VanDerWaalsContact C-N 3.35Å; Y774-F776 PolarHBondContact O-N 3.49Å; Y774-F777 PolarHBondContact O-N 3.42Å; Y774-Q778 HydrophobicContact CD1-CG 4.22Å; Y774-Q778 HydrophobicContact CE1-CG 3.84Å; Y774-Q778 HydrophobicContact CE2-CG 4.2Å; Y774-Q778 VanDerWaalsContact CE2-NE2 3.34Å; Y774-Q778 VanDerWaalsContact CZ-NE2 3.31Å; Y774-Q778 VanDerWaalsContact O-CG 3.29Å; Y774-Q778 WeakPolarHBondContact O-CG 3.13Å; Y774-Q778 PolarHBondContact O-N 3.22Å; Y774-Q778 PolarHBondContact OH-NE2 3.4Å |
| 775 | I | 85.4 | Confident | 84.5 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.5 | -62.7 | 160.5 | 0 | 0 | 0 | 110.4 | L726 I730 T771 I772 F773 F777 Q778 L779 L824 | L726-I775 HydrophobicContact CD1-CD1 4.21Å; L726-I775 HydrophobicContact CD2-CD1 3.35Å; L726-I775 HydrophobicContact CD2-CG1 3.67Å; L726-I775 HydrophobicContact CG-CD1 3.77Å; I730-I775 HydrophobicContact CD1-CD1 3.8Å; T771-I775 HydrophobicContact CG2-CD1 4.18Å; T771-I775 WeakPolarHBondContact O-CD1 3.05Å; T771-I775 VanDerWaalsContact O-CG1 3.22Å; T771-I775 WeakPolarHBondContact O-CG1 3.24Å; T771-I775 PolarHBondContact O-N 3.36Å; I772-I775 PolarHBondContact O-N 3.21Å; F773-I775 VanDerWaalsContact C-N 3.34Å; F773-I775 PolarHBondContact O-N 3.06Å; I775-F777 PolarHBondContact O-N 2.91Å; I775-Q778 PolarHBondContact O-N 3.34Å; I775-L779 HydrophobicContact CG2-CD1 4.05Å; I775-L779 HydrophobicContact CG2-CG 4.35Å; I775-L779 WeakPolarHBondContact O-CG 3.24Å; I775-L779 PolarHBondContact O-N 3.28Å; I775-L824 HydrophobicContact CB-CD1 4.42Å; I775-L824 HydrophobicContact CB-CD2 4.26Å; I775-L824 HydrophobicContact CD1-CD2 4.48Å; I775-L824 HydrophobicContact CG2-CD1 3.94Å; I775-L824 HydrophobicContact CG2-CD2 4.02Å |
| 776 | F | 88.5 | Confident | 83.4 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 178 | 177.6 | -98 | 0 | 0 | 0 | 111.5 | I772 F773 Y774 Q778 L779 V780 C820 L824 L1041 | I772-F776 PolarHBondContact O-N 3.32Å; F773-F776 WeakPolarHBondContact O-CB 3.15Å; F773-F776 PolarHBondContact O-N 3.37Å; Y774-F776 VanDerWaalsContact C-N 3.35Å; Y774-F776 PolarHBondContact O-N 3.49Å; F776-Q778 VanDerWaalsContact C-N 3.33Å; F776-Q778 PolarHBondContact O-N 3.46Å; F776-L779 PolarHBondContact O-N 2.93Å; F776-L779 VanDerWaalsContact O-N 3.16Å; F776-V780 HydrophobicContact CD1-CG2 4.1Å; F776-V780 HydrophobicContact CD2-CG2 4.47Å; F776-V780 HydrophobicContact CE1-CG2 3.72Å; F776-V780 HydrophobicContact CE2-CG2 4.13Å; F776-V780 HydrophobicContact CG-CG2 4.46Å; F776-V780 HydrophobicContact CZ-CG2 3.74Å; F776-V780 WeakPolarHBondContact O-CB 3.31Å; F776-V780 VanDerWaalsContact O-CG2 3.31Å; F776-V780 WeakPolarHBondContact O-CG2 3.21Å; F776-V780 PolarHBondContact O-N 3.39Å; F776-C820 HydrophobicContact CD2-CB 4.28Å; F776-C820 HydrophobicContact CE2-CB 4.12Å; F776-L824 HydrophobicContact CB-CD1 3.92Å; F776-L824 HydrophobicContact CD2-CD1 4.35Å; F776-L1041 HydrophobicContact CZ-CD1 4.03Å |
| 777 | F | 88 | Confident | 82.1 | Confident | 134 Ų | 134 | 53.5 Ų | 53.5 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.3 | -36.5 | 178.6 | -78.8 | -64.1 | 0 | 0 | 0 | 112.8 | F773 Y774 I775 V780 K781 | F773-F777 HydrophobicContact CB-CD2 4.43Å; F773-F777 HydrophobicContact CB-CE2 4.42Å; F773-F777 WeakPolarHBondContact O-CD2 3.27Å; F773-F777 PolarHBondContact O-N 3.49Å; Y774-F777 PolarHBondContact O-N 3.42Å; I775-F777 PolarHBondContact O-N 2.91Å; F777-V780 PolarHBondContact O-N 3.38Å; F777-K781 WeakPolarHBondContact O-CB 3.07Å; F777-K781 PolarHBondContact O-N 2.85Å |
| 778 | Q | 85.4 | Confident | 80.8 | Confident | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 173.9 | -68.9 | -61.1 | -7.7 | 0 | 0 | 112 | Y774 I775 F776 K781 S782 | Y774-Q778 HydrophobicContact CD1-CG 4.22Å; Y774-Q778 HydrophobicContact CE1-CG 3.84Å; Y774-Q778 HydrophobicContact CE2-CG 4.2Å; Y774-Q778 VanDerWaalsContact CE2-NE2 3.34Å; Y774-Q778 VanDerWaalsContact CZ-NE2 3.31Å; Y774-Q778 VanDerWaalsContact O-CG 3.29Å; Y774-Q778 WeakPolarHBondContact O-CG 3.13Å; Y774-Q778 PolarHBondContact O-N 3.22Å; Y774-Q778 PolarHBondContact OH-NE2 3.4Å; I775-Q778 PolarHBondContact O-N 3.34Å; F776-Q778 VanDerWaalsContact C-N 3.33Å; F776-Q778 PolarHBondContact O-N 3.46Å; Q778-K781 CarbonylContact O-C 3.6Å; Q778-K781 PolarHBondContact O-N 2.87Å; Q778-S782 PolarHBondContact O-N 3.18Å |
| 779 | L | 83.3 | Confident | 79.5 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -32.9 | 176.5 | -65.9 | 179.6 | 0 | 0 | 0 | 112.8 | I775 F776 K781 S782 P783 H785 L786 W816 L824 | I775-L779 HydrophobicContact CG2-CD1 4.05Å; I775-L779 HydrophobicContact CG2-CG 4.35Å; I775-L779 WeakPolarHBondContact O-CG 3.24Å; I775-L779 PolarHBondContact O-N 3.28Å; F776-L779 PolarHBondContact O-N 2.93Å; F776-L779 VanDerWaalsContact O-N 3.16Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-S782 CarbonylContact O-C 3.58Å; L779-P783 WeakPolarHBondContact O-CA 3.22Å; L779-H785 HydrophobicContact CD2-CB 4.12Å; L779-L786 HydrophobicContact CD1-CD1 4.27Å; L779-L786 HydrophobicContact CD2-CD1 3.78Å; L779-L786 HydrophobicContact CD2-CD2 4.34Å; L779-L786 HydrophobicContact CD2-CG 3.61Å; L779-W816 PolarHBondContact O-NE1 3.48Å; L779-L824 HydrophobicContact CD1-CD1 4.04Å |
| 780 | V | 82.9 | Confident | 78.1 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.9 | -29.8 | 171.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | F776 F777 W816 L1041 C1045 R1049 | F776-V780 HydrophobicContact CD1-CG2 4.1Å; F776-V780 HydrophobicContact CD2-CG2 4.47Å; F776-V780 HydrophobicContact CE1-CG2 3.72Å; F776-V780 HydrophobicContact CE2-CG2 4.13Å; F776-V780 HydrophobicContact CG-CG2 4.46Å; F776-V780 HydrophobicContact CZ-CG2 3.74Å; F776-V780 WeakPolarHBondContact O-CB 3.31Å; F776-V780 VanDerWaalsContact O-CG2 3.31Å; F776-V780 WeakPolarHBondContact O-CG2 3.21Å; F776-V780 PolarHBondContact O-N 3.39Å; F777-V780 PolarHBondContact O-N 3.38Å; V780-W816 HydrophobicContact CG2-CZ2 4.49Å; V780-L1041 HydrophobicContact CG1-CD2 4.19Å; V780-L1041 HydrophobicContact CG2-CD2 4.34Å; V780-C1045 HydrophobicContact CG1-CB 4.18Å; V780-R1049 PolarHBondContact O-NH1 2.94Å; V780-R1049 PolarHBondContact O-NH2 3.45Å |
| 781 | K | 81.7 | Confident | 76.6 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -82.3 | -33.9 | 175.5 | -172.2 | 178.7 | 177.3 | -177.6 | 0 | 113.5 | F777 Q778 L779 R1049 | F777-K781 WeakPolarHBondContact O-CB 3.07Å; F777-K781 PolarHBondContact O-N 2.85Å; Q778-K781 CarbonylContact O-C 3.6Å; Q778-K781 PolarHBondContact O-N 2.87Å; L779-K781 VanDerWaalsContact C-N 3.32Å; K781-R1049 VanDerWaalsContact C-CZ 3.44Å; K781-R1049 VanDerWaalsContact C-NH1 3.26Å; K781-R1049 PolarHBondContact O-NE 2.87Å; K781-R1049 PolarHBondContact O-NH1 3.43Å; K781-R1049 PolarHBondContact O-NH2 3.16Å |
| 782 | S | 78.8 | Confident | 75.4 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | trans | -145 | 99.3 | 175.8 | -176 | 0 | 0 | 0 | 0 | 109.7 | Q778 L779 F784 H785 | Q778-S782 PolarHBondContact O-N 3.18Å; L779-S782 CarbonylContact O-C 3.58Å; S782-F784 PolarHBondContact O-N 3.48Å; S782-F784 VanDerWaalsContact O-N 3.13Å; S782-H785 PolarHBondContact O-N 3.48Å; S782-H785 VanDerWaalsContact O-N 3.12Å | ||
| 783 | P | 72.7 | Confident | 74.1 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -63.6 | -21.3 | 179.1 | 26.6 | -34.9 | 0 | 0 | 0 | 111.8 | L779 H785 W816 L1046 R1049 | L779-P783 WeakPolarHBondContact O-CA 3.22Å; P783-H785 VanDerWaalsContact C-N 3.29Å; P783-H785 PolarHBondContact O-N 3.24Å; P783-W816 VanDerWaalsContact CB-CD1 3.43Å; P783-W816 HydrophobicContact CB-CG 4.16Å; P783-L1046 HydrophobicContact CB-CD1 3.56Å; P783-L1046 HydrophobicContact CG-CD1 4.12Å; P783-R1049 HydrophobicContact CG-CB 4.43Å |
| 784 | F | 72.6 | Confident | 72.7 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -76.7 | -8.5 | 179.2 | -58.4 | -79.1 | 0 | 0 | 0 | 113.4 | S782 L786 I787 E789 F792 L812 I1050 I1053 | S782-F784 PolarHBondContact O-N 3.48Å; S782-F784 VanDerWaalsContact O-N 3.13Å; F784-L786 PolarHBondContact O-N 3.26Å; F784-L786 VanDerWaalsContact O-N 3.1Å; F784-I787 CarbonylContact O-C 3.23Å; F784-I787 VanDerWaalsContact O-C 3.23Å; F784-I787 WeakPolarHBondContact O-CA 3.42Å; F784-I787 PolarHBondContact O-N 3.12Å; F784-E789 HydrophobicContact CB-CB 4.33Å; F784-E789 HydrophobicContact CB-CG 4.47Å; F784-F792 HydrophobicContact CD1-CD1 4.02Å; F784-F792 HydrophobicContact CD1-CE1 4.32Å; F784-F792 HydrophobicContact CD1-CG 4.21Å; F784-F792 AromaticContact CE1-CD1 3.58Å; F784-F792 HydrophobicContact CE1-CD1 3.58Å; F784-F792 HydrophobicContact CE1-CD2 4.42Å; F784-F792 AromaticContact CE1-CE1 3.45Å; F784-F792 HydrophobicContact CE1-CE1 3.45Å; F784-F792 VanDerWaalsContact CE1-CE1 3.45Å; F784-F792 HydrophobicContact CE1-CE2 4.32Å; F784-F792 HydrophobicContact CE1-CG 4.08Å; F784-F792 AromaticContact CE1-CZ 3.85Å; F784-F792 HydrophobicContact CE1-CZ 3.85Å; F784-F792 HydrophobicContact CZ-CE1 4.12Å; F784-L812 HydrophobicContact CD1-CD2 3.89Å; F784-L812 HydrophobicContact CE1-CD2 3.32Å; F784-L812 HydrophobicContact CZ-CD2 3.99Å; F784-I1050 HydrophobicContact CZ-CG1 3.88Å; F784-I1053 HydrophobicContact CD2-CD1 3.83Å; F784-I1053 HydrophobicContact CE1-CD1 4.24Å; F784-I1053 HydrophobicContact CE2-CD1 3.07Å; F784-I1053 HydrophobicContact CZ-CD1 3.32Å |
| 785 | H | 70.4 | Confident | 71.3 | Confident | 107 Ų | 107 | 53.3 Ų | 53.3 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -58.5 | -26.2 | 176.5 | -110.2 | -44.9 | 0 | 0 | 0 | 113.5 | K723 L779 S782 P783 I787 | K723-H785 VanDerWaalsContact CE-O 3.24Å; K723-H785 WeakPolarHBondContact CE-O 3.46Å; K723-H785 PolarHBondContact NZ-O 3.06Å; L779-H785 HydrophobicContact CD2-CB 4.12Å; S782-H785 PolarHBondContact O-N 3.48Å; S782-H785 VanDerWaalsContact O-N 3.12Å; P783-H785 VanDerWaalsContact C-N 3.29Å; P783-H785 PolarHBondContact O-N 3.24Å; H785-I787 PolarHBondContact O-N 2.95Å |
| 786 | L | 63.9 | Low | 70 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -66.7 | -24.6 | 173.2 | -75.8 | 155.4 | 0 | 0 | 0 | 112.8 | K723 L779 F784 L815 W816 T819 | K723-L786 PolarHBondContact NZ-O 3.22Å; L779-L786 HydrophobicContact CD1-CD1 4.27Å; L779-L786 HydrophobicContact CD2-CD1 3.78Å; L779-L786 HydrophobicContact CD2-CD2 4.34Å; L779-L786 HydrophobicContact CD2-CG 3.61Å; F784-L786 PolarHBondContact O-N 3.26Å; F784-L786 VanDerWaalsContact O-N 3.1Å; L786-L815 HydrophobicContact CB-CD2 3.81Å; L786-L815 HydrophobicContact CB-CG 4.39Å; L786-L815 HydrophobicContact CD1-CG 4.27Å; L786-L815 HydrophobicContact CD2-CD2 4.34Å; L786-L815 HydrophobicContact CD2-CG 4.32Å; L786-L815 HydrophobicContact CG-CD2 4.45Å; L786-W816 HydrophobicContact CD1-CB 4.2Å; L786-W816 HydrophobicContact CD1-CG 4.47Å; L786-T819 HydrophobicContact CD1-CG2 4.31Å; L786-T819 WeakPolarHBondContact CD1-OG1 3.07Å; L786-T819 HydrophobicContact CD2-CG2 3.86Å |
| 787 | I | 63.4 | Low | 68.5 | Low | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -117.2 | 166.7 | -177.7 | -56.4 | 177.1 | 0 | 0 | 0 | 107.8 | Y706 F784 H785 F792 L812 | Y706-I787 HydrophobicContact CE1-CD1 3.9Å; Y706-I787 HydrophobicContact CE1-CG1 3.9Å; Y706-I787 HydrophobicContact CE1-CG2 3.97Å; Y706-I787 HydrophobicContact CE2-CD1 4.44Å; Y706-I787 WeakPolarHBondContact OH-CD1 3.16Å; F784-I787 CarbonylContact O-C 3.23Å; F784-I787 VanDerWaalsContact O-C 3.23Å; F784-I787 WeakPolarHBondContact O-CA 3.42Å; F784-I787 PolarHBondContact O-N 3.12Å; H785-I787 PolarHBondContact O-N 2.95Å; I787-F792 HydrophobicContact CG2-CB 4.22Å; I787-L812 HydrophobicContact CD1-CB 3.84Å; I787-L812 HydrophobicContact CD1-CD1 3.5Å; I787-L812 HydrophobicContact CD1-CG 4.14Å; I787-L812 HydrophobicContact CG1-CD1 4.34Å |
| 788 | E | 60.4 | Low | 66.8 | Low | 77 Ų | 77 | 52.4 Ų | 52.4 | 36% | 0.36 | 26% | 0.26 | S | S | . | . | trans | -85.6 | 114.3 | 162.4 | -79.8 | -179.5 | 174.9 | 0 | 0 | 107.5 | I790 N791 F792 | E788-I790 PolarHBondContact O-N 3.03Å; E788-I790 VanDerWaalsContact O-N 3.11Å; E788-N791 HydrophobicContact CB-CB 4.29Å; E788-N791 PolarHBondContact O-N 3.43Å; E788-N791 PolarHBondContact OE2-ND2 2.88Å; E788-F792 PolarHBondContact O-N 2.87Å; E788-F792 VanDerWaalsContact O-N 3.12Å | ||
| 789 | E | 60.9 | Low | 64.9 | Low | 97 Ų | 97 | 57.6 Ų | 57.6 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50.1 | -39.1 | -178.1 | -172.8 | 172.4 | -172.1 | 0 | 0 | 111.8 | F784 N791 F792 I793 | F784-E789 HydrophobicContact CB-CB 4.33Å; F784-E789 HydrophobicContact CB-CG 4.47Å; E789-N791 VanDerWaalsContact C-N 3.35Å; E789-N791 PolarHBondContact O-N 2.88Å; E789-F792 PolarHBondContact O-N 3.33Å; E789-I793 HydrophobicContact CG-CD1 3.95Å; E789-I793 VanDerWaalsContact O-CG1 3.28Å; E789-I793 WeakPolarHBondContact O-CG1 3.36Å; E789-I793 PolarHBondContact O-N 3.46Å |
| 790 | I | 58.2 | Low | 62.9 | Low | 113 Ų | 113 | 65 Ų | 65 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.7 | -42.3 | 175.7 | -62.2 | 173.1 | 0 | 0 | 0 | 112 | E788 I793 K794 | E788-I790 PolarHBondContact O-N 3.03Å; E788-I790 VanDerWaalsContact O-N 3.11Å; I790-I793 PolarHBondContact O-N 2.96Å; I790-K794 HydrophobicContact CG2-CD 4.16Å; I790-K794 HydrophobicContact CG2-CG 4.47Å; I790-K794 WeakPolarHBondContact O-CB 3.39Å; I790-K794 WeakPolarHBondContact O-CG 3.14Å; I790-K794 PolarHBondContact O-N 2.94Å |
| 791 | N | 58 | Low | 61.1 | Low | 31 Ų | 31 | 64.3 Ų | 64.3 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.1 | -36.1 | -179 | -66.9 | -24.4 | 0 | 0 | 0 | 111.6 | E788 E789 I793 K794 C795 | E788-N791 HydrophobicContact CB-CB 4.29Å; E788-N791 PolarHBondContact O-N 3.43Å; E788-N791 PolarHBondContact OE2-ND2 2.88Å; E789-N791 VanDerWaalsContact C-N 3.35Å; E789-N791 PolarHBondContact O-N 2.88Å; N791-I793 VanDerWaalsContact C-N 3.32Å; N791-K794 PolarHBondContact O-N 3.33Å; N791-C795 VanDerWaalsContact O-CB 3.31Å; N791-C795 WeakPolarHBondContact O-CB 3.48Å; N791-C795 PolarHBondContact O-N 2.89Å |
| 792 | F | 61.7 | Low | 59.7 | Low | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 172 | -176.5 | -100.5 | 0 | 0 | 0 | 110.8 | F784 I787 E788 E789 C795 I796 T808 I809 L812 | F784-F792 HydrophobicContact CD1-CD1 4.02Å; F784-F792 HydrophobicContact CD1-CE1 4.32Å; F784-F792 HydrophobicContact CD1-CG 4.21Å; F784-F792 AromaticContact CE1-CD1 3.58Å; F784-F792 HydrophobicContact CE1-CD1 3.58Å; F784-F792 HydrophobicContact CE1-CD2 4.42Å; F784-F792 AromaticContact CE1-CE1 3.45Å; F784-F792 HydrophobicContact CE1-CE1 3.45Å; F784-F792 VanDerWaalsContact CE1-CE1 3.45Å; F784-F792 HydrophobicContact CE1-CE2 4.32Å; F784-F792 HydrophobicContact CE1-CG 4.08Å; F784-F792 AromaticContact CE1-CZ 3.85Å; F784-F792 HydrophobicContact CE1-CZ 3.85Å; F784-F792 HydrophobicContact CZ-CE1 4.12Å; I787-F792 HydrophobicContact CG2-CB 4.22Å; E788-F792 PolarHBondContact O-N 2.87Å; E788-F792 VanDerWaalsContact O-N 3.12Å; E789-F792 PolarHBondContact O-N 3.33Å; F792-C795 PolarHBondContact O-N 3.17Å; F792-I796 HydrophobicContact CD1-CD1 3.65Å; F792-I796 HydrophobicContact CE1-CD1 3.22Å; F792-I796 HydrophobicContact CE1-CG1 4.48Å; F792-I796 HydrophobicContact CE2-CD1 4.32Å; F792-I796 HydrophobicContact CG-CD1 4.36Å; F792-I796 HydrophobicContact CZ-CD1 3.6Å; F792-I796 VanDerWaalsContact O-CG1 3.27Å; F792-I796 WeakPolarHBondContact O-CG1 3.14Å; F792-I796 PolarHBondContact O-N 3.36Å; F792-I796 VanDerWaalsContact O-N 3.13Å; F792-T808 HydrophobicContact CD2-CG2 3.56Å; F792-T808 HydrophobicContact CE2-CG2 3.75Å; F792-I809 HydrophobicContact CE2-CG1 4.37Å; F792-I809 HydrophobicContact CZ-CG1 4.17Å; F792-L812 HydrophobicContact CE2-CD2 3.98Å; F792-L812 HydrophobicContact CZ-CD2 4.13Å |
| 793 | I | 61 | Low | 58.3 | Low | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -45 | 177.4 | -65.5 | 165.3 | 0 | 0 | 0 | 111.6 | E789 I790 N791 C795 I796 Q797 | E789-I793 HydrophobicContact CG-CD1 3.95Å; E789-I793 VanDerWaalsContact O-CG1 3.28Å; E789-I793 WeakPolarHBondContact O-CG1 3.36Å; E789-I793 PolarHBondContact O-N 3.46Å; I790-I793 PolarHBondContact O-N 2.96Å; N791-I793 VanDerWaalsContact C-N 3.32Å; I793-C795 VanDerWaalsContact C-N 3.34Å; I793-C795 PolarHBondContact O-N 3.46Å; I793-I796 WeakPolarHBondContact O-CB 3.33Å; I793-I796 PolarHBondContact O-N 3.44Å; I793-I796 VanDerWaalsContact O-N 3.12Å; I793-Q797 HydrophobicContact CG2-CG 4.26Å; I793-Q797 WeakPolarHBondContact O-CG 3.19Å; I793-Q797 PolarHBondContact O-N 2.83Å |
| 794 | K | 61 | Low | 57.4 | Low | 120 Ų | 120 | 63.5 Ų | 63.5 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 177 | -79 | 177.7 | 179.5 | 177.2 | 0 | 112.3 | I790 N791 I796 Q797 S798 | I790-K794 HydrophobicContact CG2-CD 4.16Å; I790-K794 HydrophobicContact CG2-CG 4.47Å; I790-K794 WeakPolarHBondContact O-CB 3.39Å; I790-K794 WeakPolarHBondContact O-CG 3.14Å; I790-K794 PolarHBondContact O-N 2.94Å; N791-K794 PolarHBondContact O-N 3.33Å; K794-I796 VanDerWaalsContact C-N 3.26Å; K794-I796 PolarHBondContact O-N 3.48Å; K794-Q797 PolarHBondContact O-N 2.88Å; K794-S798 PolarHBondContact O-N 3.07Å |
| 795 | C | 59 | Low | 56.7 | Low | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | N791 F792 I793 S798 C801 | N791-C795 VanDerWaalsContact O-CB 3.31Å; N791-C795 WeakPolarHBondContact O-CB 3.48Å; N791-C795 PolarHBondContact O-N 2.89Å; F792-C795 PolarHBondContact O-N 3.17Å; I793-C795 VanDerWaalsContact C-N 3.34Å; I793-C795 PolarHBondContact O-N 3.46Å; C795-S798 PolarHBondContact O-OG 3.45Å; C795-C801 PolarHBondContact O-SG 3.4Å |
| 796 | I | 57.5 | Low | 56 | Low | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 178.6 | -74.3 | 176.3 | 0 | 0 | 0 | 112.9 | F792 I793 K794 T805 L1054 F1058 | F792-I796 HydrophobicContact CD1-CD1 3.65Å; F792-I796 HydrophobicContact CE1-CD1 3.22Å; F792-I796 HydrophobicContact CE1-CG1 4.48Å; F792-I796 HydrophobicContact CE2-CD1 4.32Å; F792-I796 HydrophobicContact CG-CD1 4.36Å; F792-I796 HydrophobicContact CZ-CD1 3.6Å; F792-I796 VanDerWaalsContact O-CG1 3.27Å; F792-I796 WeakPolarHBondContact O-CG1 3.14Å; F792-I796 PolarHBondContact O-N 3.36Å; F792-I796 VanDerWaalsContact O-N 3.13Å; I793-I796 WeakPolarHBondContact O-CB 3.33Å; I793-I796 PolarHBondContact O-N 3.44Å; I793-I796 VanDerWaalsContact O-N 3.12Å; K794-I796 VanDerWaalsContact C-N 3.26Å; K794-I796 PolarHBondContact O-N 3.48Å; I796-T805 HydrophobicContact CG1-CG2 3.86Å; I796-L1054 HydrophobicContact CD1-CD2 4.21Å; I796-F1058 HydrophobicContact CG2-CD2 4.08Å; I796-F1058 HydrophobicContact CG2-CE1 4.31Å; I796-F1058 HydrophobicContact CG2-CE2 3.11Å; I796-F1058 HydrophobicContact CG2-CZ 3.25Å; I796-F1058 WeakPolarHBondContact O-CZ 3.36Å |
| 797 | Q | 57.1 | Low | 55.8 | Low | 116 Ų | 116 | 64 Ų | 64 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.1 | -24.5 | -176.2 | -77.8 | 177 | -19.1 | 0 | 0 | 114.3 | I793 K794 N799 | I793-Q797 HydrophobicContact CG2-CG 4.26Å; I793-Q797 WeakPolarHBondContact O-CG 3.19Å; I793-Q797 PolarHBondContact O-N 2.83Å; K794-Q797 PolarHBondContact O-N 2.88Å; Q797-N799 PolarHBondContact O-N 3.4Å |
| 798 | S | 53.2 | Low | 55.8 | Low | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -65.2 | 120.5 | 177.3 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | K794 C795 D800 C801 | K794-S798 PolarHBondContact O-N 3.07Å; C795-S798 PolarHBondContact O-OG 3.45Å; S798-D800 PolarHBondContact O-N 3.03Å; S798-D800 VanDerWaalsContact O-N 3.14Å; S798-C801 WeakPolarHBondContact O-CB 3.26Å; S798-C801 PolarHBondContact O-N 3.18Å; S798-C801 WeakPolarHBondContact OG-CB 3.29Å |
| 799 | N | 46.2 | Very low | 56.2 | Low | 165 Ų | 165 | 60.4 Ų | 60.4 | 88% | 0.882 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -11.9 | -172 | -83.2 | -24.8 | 0 | 0 | 0 | 115 | Q797 C801 | Q797-N799 PolarHBondContact O-N 3.4Å; N799-C801 PolarHBondContact O-N 2.94Å |
| 800 | D | 41.1 | Very low | 56.5 | Low | 167 Ų | 167 | 56.7 Ų | 56.7 | 89% | 0.893 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.9 | 178.7 | -75.2 | -35.8 | 0 | 0 | 0 | 114.1 | S798 | S798-D800 PolarHBondContact O-N 3.03Å; S798-D800 VanDerWaalsContact O-N 3.14Å |
| 801 | C | 44.3 | Very low | 57 | Low | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | trans | -111.7 | 34.7 | -146.7 | -164.7 | 0 | 0 | 0 | 0 | 115.3 | C795 S798 N799 S804 T805 | C795-C801 PolarHBondContact O-SG 3.4Å; S798-C801 WeakPolarHBondContact O-CB 3.26Å; S798-C801 PolarHBondContact O-N 3.18Å; S798-C801 WeakPolarHBondContact OG-CB 3.29Å; N799-C801 PolarHBondContact O-N 2.94Å; C801-S804 WeakPolarHBondContact CA-OG 3.25Å; C801-S804 WeakPolarHBondContact SG-CB 3.33Å; C801-S804 PolarHBondContact SG-OG 3.42Å; C801-T805 WeakPolarHBondContact O-CB 3.33Å; C801-T805 PolarHBondContact O-N 3.48Å; C801-T805 PolarHBondContact O-OG1 2.99Å; C801-T805 PolarHBondContact SG-N 2.93Å; C801-T805 VanDerWaalsContact SG-N 3.35Å; C801-T805 PolarHBondContact SG-OG1 2.85Å | ||
| 802 | S | 52 | Low | 57.7 | Low | 42 Ų | 42 | 51.6 Ų | 51.6 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.1 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 803 | Q | 50.3 | Low | 58.4 | Low | 72 Ų | 72 | 51.9 Ų | 51.9 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.6 | -41.3 | 178.8 | -70.1 | -173.7 | -19.2 | 0 | 0 | 112.7 | Q806 R807 | Q803-Q806 PolarHBondContact O-N 3.05Å; Q803-R807 WeakPolarHBondContact O-CG 3.43Å; Q803-R807 PolarHBondContact O-N 3.47Å; Q803-R807 VanDerWaalsContact O-N 3.08Å |
| 804 | S | 53.6 | Low | 58.9 | Low | 51 Ų | 51 | 51.1 Ų | 51.1 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | -179.4 | 19.6 | 0 | 0 | 0 | 0 | 112 | C801 Q806 R807 T808 | C801-S804 WeakPolarHBondContact CA-OG 3.25Å; C801-S804 WeakPolarHBondContact SG-CB 3.33Å; C801-S804 PolarHBondContact SG-OG 3.42Å; S804-Q806 VanDerWaalsContact C-N 3.28Å; S804-Q806 PolarHBondContact O-N 3.05Å; S804-R807 PolarHBondContact O-N 3.38Å; S804-T808 WeakPolarHBondContact O-CB 3.35Å; S804-T808 PolarHBondContact O-N 3.24Å; S804-T808 PolarHBondContact O-OG1 3.31Å |
| 805 | T | 56.6 | Low | 59.6 | Low | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | I796 C801 T808 I809 | I796-T805 HydrophobicContact CG1-CG2 3.86Å; C801-T805 WeakPolarHBondContact O-CB 3.33Å; C801-T805 PolarHBondContact O-N 3.48Å; C801-T805 PolarHBondContact O-OG1 2.99Å; C801-T805 PolarHBondContact SG-N 2.93Å; C801-T805 VanDerWaalsContact SG-N 3.35Å; C801-T805 PolarHBondContact SG-OG1 2.85Å; T805-T808 WeakPolarHBondContact O-CB 3.45Å; T805-T808 PolarHBondContact O-N 3.3Å; T805-I809 HydrophobicContact CG2-CD1 3.98Å; T805-I809 WeakPolarHBondContact O-CG1 3.37Å; T805-I809 PolarHBondContact O-N 3.37Å |
| 806 | Q | 56.5 | Low | 60.7 | Low | 11 Ų | 11 | 44.9 Ų | 44.9 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 180 | -176.9 | -177.4 | 7.5 | 0 | 0 | 112.4 | Q803 S804 T808 I809 V810 S869 L871 Y957 | Q803-Q806 PolarHBondContact O-N 3.05Å; S804-Q806 VanDerWaalsContact C-N 3.28Å; S804-Q806 PolarHBondContact O-N 3.05Å; Q806-T808 VanDerWaalsContact C-N 3.27Å; Q806-T808 PolarHBondContact O-N 2.95Å; Q806-I809 PolarHBondContact O-N 2.98Å; Q806-V810 WeakPolarHBondContact O-CG2 3.48Å; Q806-V810 PolarHBondContact O-N 2.84Å; Q806-S869 PolarHBondContact NE2-O 3.32Å; Q806-S869 VanDerWaalsContact NE2-O 3.13Å; Q806-S869 PolarHBondContact OE1-O 2.94Å; Q806-L871 PolarHBondContact NE2-O 3.2Å; Q806-L871 VanDerWaalsContact NE2-O 3.11Å; Q806-Y957 VanDerWaalsContact OE1-CZ 3.28Å; Q806-Y957 PolarHBondContact OE1-OH 2.98Å |
| 807 | R | 59.5 | Low | 61.8 | Low | 128 Ų | 128 | 44.6 Ų | 44.6 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.8 | -48 | 173.6 | -72.9 | 177.8 | -175.9 | -175.6 | 2.4 | 109.6 | Q803 S804 I809 V810 Y811 | Q803-R807 WeakPolarHBondContact O-CG 3.43Å; Q803-R807 PolarHBondContact O-N 3.47Å; Q803-R807 VanDerWaalsContact O-N 3.08Å; S804-R807 PolarHBondContact O-N 3.38Å; R807-I809 VanDerWaalsContact C-N 3.33Å; R807-I809 PolarHBondContact O-N 3.37Å; R807-V810 PolarHBondContact O-N 2.96Å; R807-Y811 HydrophobicContact CB-CD2 4.38Å; R807-Y811 HydrophobicContact CB-CE2 4.31Å; R807-Y811 WeakPolarHBondContact O-CD2 3.37Å; R807-Y811 PolarHBondContact O-N 3.43Å |
| 808 | T | 64.2 | Low | 62.8 | Low | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | Y706 F792 S804 T805 Q806 L812 | Y706-T808 HydrophobicContact CE2-CG2 3.99Å; Y706-T808 WeakPolarHBondContact OH-CG2 3.06Å; F792-T808 HydrophobicContact CD2-CG2 3.56Å; F792-T808 HydrophobicContact CE2-CG2 3.75Å; S804-T808 WeakPolarHBondContact O-CB 3.35Å; S804-T808 PolarHBondContact O-N 3.24Å; S804-T808 PolarHBondContact O-OG1 3.31Å; T805-T808 WeakPolarHBondContact O-CB 3.45Å; T805-T808 PolarHBondContact O-N 3.3Å; Q806-T808 VanDerWaalsContact C-N 3.27Å; Q806-T808 PolarHBondContact O-N 2.95Å; T808-L812 PolarHBondContact O-N 3.5Å |
| 809 | I | 68.3 | Low | 64 | Low | 15 Ų | 15 | 37.3 Ų | 37.3 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 176.3 | -68 | 167.4 | 0 | 0 | 0 | 111 | F792 T805 Q806 R807 Y811 L812 Y813 L1054 | F792-I809 HydrophobicContact CE2-CG1 4.37Å; F792-I809 HydrophobicContact CZ-CG1 4.17Å; T805-I809 HydrophobicContact CG2-CD1 3.98Å; T805-I809 WeakPolarHBondContact O-CG1 3.37Å; T805-I809 PolarHBondContact O-N 3.37Å; Q806-I809 PolarHBondContact O-N 2.98Å; R807-I809 VanDerWaalsContact C-N 3.33Å; R807-I809 PolarHBondContact O-N 3.37Å; I809-Y811 VanDerWaalsContact C-N 3.25Å; I809-Y811 PolarHBondContact O-N 3.1Å; I809-L812 WeakPolarHBondContact O-CB 3.44Å; I809-L812 PolarHBondContact O-N 3.44Å; I809-L812 VanDerWaalsContact O-N 3.09Å; I809-Y813 HydrophobicContact CG2-CD2 3.7Å; I809-Y813 HydrophobicContact CG2-CE2 3.68Å; I809-Y813 WeakPolarHBondContact O-CD2 3.25Å; I809-Y813 PolarHBondContact O-N 2.92Å; I809-L1054 HydrophobicContact CD1-CD1 4.34Å |
| 810 | V | 67.2 | Low | 65.9 | Low | 18 Ų | 18 | 29.4 Ų | 29.4 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | Q806 R807 Y813 T814 L872 I950 | Q806-V810 WeakPolarHBondContact O-CG2 3.48Å; Q806-V810 PolarHBondContact O-N 2.84Å; R807-V810 PolarHBondContact O-N 2.96Å; V810-Y813 PolarHBondContact O-N 3.44Å; V810-T814 WeakPolarHBondContact O-CB 3.18Å; V810-T814 PolarHBondContact O-N 2.96Å; V810-T814 PolarHBondContact O-OG1 2.77Å; V810-L872 HydrophobicContact CB-CD1 4.44Å; V810-L872 HydrophobicContact CG2-CD1 3.6Å; V810-L872 HydrophobicContact CG2-CG 4.39Å; V810-I950 HydrophobicContact CG1-CG2 4.22Å |
| 811 | Y | 69.4 | Low | 68 | Low | 37 Ų | 37 | 21.6 Ų | 21.6 | 15% | 0.145 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 175.4 | -80.6 | -67.4 | 0 | 0 | 0 | 112.7 | Y706 I709 R807 I809 Y813 T814 L815 R954 | Y706-Y811 HydrophobicContact CD2-CD1 4.37Å; Y706-Y811 HydrophobicContact CD2-CD2 4.1Å; Y706-Y811 AromaticContact CD2-CG 3.73Å; Y706-Y811 HydrophobicContact CD2-CG 3.73Å; Y706-Y811 HydrophobicContact CE2-CG 4.4Å; I709-Y811 HydrophobicContact CD1-CD2 4.24Å; I709-Y811 HydrophobicContact CD1-CE1 4.29Å; I709-Y811 HydrophobicContact CD1-CE2 3.3Å; I709-Y811 WeakPolarHBondContact CD1-OH 3.39Å; R807-Y811 HydrophobicContact CB-CD2 4.38Å; R807-Y811 HydrophobicContact CB-CE2 4.31Å; R807-Y811 WeakPolarHBondContact O-CD2 3.37Å; R807-Y811 PolarHBondContact O-N 3.43Å; I809-Y811 VanDerWaalsContact C-N 3.25Å; I809-Y811 PolarHBondContact O-N 3.1Å; Y811-Y813 VanDerWaalsContact C-N 3.34Å; Y811-Y813 PolarHBondContact O-N 3.39Å; Y811-T814 PolarHBondContact O-N 3.11Å; Y811-L815 VanDerWaalsContact O-CB 3.26Å; Y811-L815 WeakPolarHBondContact O-CB 2.77Å; Y811-L815 PolarHBondContact O-N 3.01Å; Y811-R954 PolarHBondContact OH-NH2 3.46Å |
| 812 | L | 72.8 | Confident | 69.6 | Low | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.4 | 170 | 62 | 0 | 0 | 0 | 111.3 | F784 I787 F792 T808 I809 L815 W816 I1050 | F784-L812 HydrophobicContact CD1-CD2 3.89Å; F784-L812 HydrophobicContact CE1-CD2 3.32Å; F784-L812 HydrophobicContact CZ-CD2 3.99Å; I787-L812 HydrophobicContact CD1-CB 3.84Å; I787-L812 HydrophobicContact CD1-CD1 3.5Å; I787-L812 HydrophobicContact CD1-CG 4.14Å; I787-L812 HydrophobicContact CG1-CD1 4.34Å; F792-L812 HydrophobicContact CE2-CD2 3.98Å; F792-L812 HydrophobicContact CZ-CD2 4.13Å; T808-L812 PolarHBondContact O-N 3.5Å; I809-L812 WeakPolarHBondContact O-CB 3.44Å; I809-L812 PolarHBondContact O-N 3.44Å; I809-L812 VanDerWaalsContact O-N 3.09Å; L812-L815 PolarHBondContact O-N 3.46Å; L812-W816 VanDerWaalsContact O-CB 3.23Å; L812-W816 WeakPolarHBondContact O-CB 2.99Å; L812-W816 PolarHBondContact O-N 3.46Å; L812-I1050 HydrophobicContact CD2-CD1 3.78Å; L812-I1050 HydrophobicContact CD2-CG1 4.08Å; L812-I1050 HydrophobicContact CG-CD1 4.4Å |
| 813 | Y | 75 | Confident | 70.9 | Confident | 8 Ų | 8 | 19.6 Ų | 19.6 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.9 | -51.1 | 174.6 | -91.8 | -94.8 | 0 | 0 | 0 | 110.9 | I809 V810 Y811 L815 W816 T817 I950 F978 L1046 H1047 I1050 | I809-Y813 HydrophobicContact CG2-CD2 3.7Å; I809-Y813 HydrophobicContact CG2-CE2 3.68Å; I809-Y813 WeakPolarHBondContact O-CD2 3.25Å; I809-Y813 PolarHBondContact O-N 2.92Å; V810-Y813 PolarHBondContact O-N 3.44Å; Y811-Y813 VanDerWaalsContact C-N 3.34Å; Y811-Y813 PolarHBondContact O-N 3.39Å; Y813-L815 PolarHBondContact O-N 3.37Å; Y813-W816 PolarHBondContact O-N 2.97Å; Y813-T817 WeakPolarHBondContact O-CB 3.22Å; Y813-T817 WeakPolarHBondContact O-CG2 3.38Å; Y813-T817 PolarHBondContact O-N 3.04Å; Y813-T817 PolarHBondContact O-OG1 3.36Å; Y813-I950 HydrophobicContact CD1-CD1 4.02Å; Y813-I950 HydrophobicContact CD1-CG1 4.37Å; Y813-I950 HydrophobicContact CG-CD1 4.39Å; Y813-F978 HydrophobicContact CD1-CE1 4.48Å; Y813-F978 HydrophobicContact CE1-CD1 4.39Å; Y813-F978 HydrophobicContact CE1-CE1 4.07Å; Y813-L1046 HydrophobicContact CD1-CD2 3.38Å; Y813-L1046 HydrophobicContact CD1-CG 4.32Å; Y813-L1046 HydrophobicContact CE1-CD2 3.54Å; Y813-L1046 HydrophobicContact CE1-CG 4.08Å; Y813-L1046 HydrophobicContact CG-CD2 3.94Å; Y813-H1047 AromaticContact CZ-ND1 3.98Å; Y813-H1047 WeakPolarHBondContact OH-CA 3.25Å; Y813-H1047 PolarHBondContact OH-ND1 3.24Å; Y813-I1050 HydrophobicContact CD2-CD1 3.83Å; Y813-I1050 HydrophobicContact CE2-CD1 3.26Å |
| 814 | T | 72.1 | Confident | 72.5 | Confident | 15 Ų | 15 | 16.5 Ų | 16.5 | 9% | 0.092 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | -179.2 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | V810 Y811 T817 M818 I950 | V810-T814 WeakPolarHBondContact O-CB 3.18Å; V810-T814 PolarHBondContact O-N 2.96Å; V810-T814 PolarHBondContact O-OG1 2.77Å; Y811-T814 PolarHBondContact O-N 3.11Å; T814-T817 PolarHBondContact O-OG1 3.42Å; T814-M818 HydrophobicContact CG2-CG 4.4Å; T814-M818 WeakPolarHBondContact O-CB 3.42Å; T814-M818 WeakPolarHBondContact O-CG 3.27Å; T814-M818 PolarHBondContact O-N 2.96Å; T814-I950 VanDerWaalsContact OG1-CG2 3.26Å; T814-I950 WeakPolarHBondContact OG1-CG2 3.24Å |
| 815 | L | 75 | Confident | 73.9 | Confident | 16 Ų | 16 | 14.7 Ų | 14.7 | 8% | 0.084 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65 | -49.4 | -178.4 | -176.4 | 63.8 | 0 | 0 | 0 | 110.4 | Y699 L703 L786 Y811 L812 Y813 M818 T819 | Y699-L815 HydrophobicContact CE2-CD1 4.08Å; L703-L815 HydrophobicContact CD2-CD1 3.69Å; L703-L815 HydrophobicContact CD2-CD2 3.91Å; L703-L815 HydrophobicContact CD2-CG 4.41Å; L703-L815 HydrophobicContact CG-CD1 3.94Å; L786-L815 HydrophobicContact CB-CD2 3.81Å; L786-L815 HydrophobicContact CB-CG 4.39Å; L786-L815 HydrophobicContact CD1-CG 4.27Å; L786-L815 HydrophobicContact CD2-CD2 4.34Å; L786-L815 HydrophobicContact CD2-CG 4.32Å; L786-L815 HydrophobicContact CG-CD2 4.45Å; Y811-L815 VanDerWaalsContact O-CB 3.26Å; Y811-L815 WeakPolarHBondContact O-CB 2.77Å; Y811-L815 PolarHBondContact O-N 3.01Å; L812-L815 PolarHBondContact O-N 3.46Å; Y813-L815 PolarHBondContact O-N 3.37Å; L815-M818 PolarHBondContact O-N 3.12Å; L815-T819 HydrophobicContact CD1-CG2 4.38Å; L815-T819 WeakPolarHBondContact O-CB 3.5Å; L815-T819 VanDerWaalsContact O-CG2 3.29Å; L815-T819 WeakPolarHBondContact O-CG2 3.4Å; L815-T819 PolarHBondContact O-N 2.95Å; L815-T819 PolarHBondContact O-OG1 3.44Å |
| 816 | W | 82.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | -178.7 | -172.8 | 90.9 | 0 | 0 | 0 | 112.3 | L779 V780 P783 L786 L812 Y813 T819 C820 F821 V1042 L1046 | L779-W816 PolarHBondContact O-NE1 3.48Å; V780-W816 HydrophobicContact CG2-CZ2 4.49Å; P783-W816 VanDerWaalsContact CB-CD1 3.43Å; P783-W816 HydrophobicContact CB-CG 4.16Å; L786-W816 HydrophobicContact CD1-CB 4.2Å; L786-W816 HydrophobicContact CD1-CG 4.47Å; L812-W816 VanDerWaalsContact O-CB 3.23Å; L812-W816 WeakPolarHBondContact O-CB 2.99Å; L812-W816 PolarHBondContact O-N 3.46Å; Y813-W816 PolarHBondContact O-N 2.97Å; W816-T819 WeakPolarHBondContact CA-OG1 3.45Å; W816-T819 PolarHBondContact O-N 3.17Å; W816-T819 PolarHBondContact O-OG1 2.91Å; W816-C820 HydrophobicContact CD2-CB 4.45Å; W816-C820 VanDerWaalsContact CE2-SG 3.56Å; W816-C820 HydrophobicContact CE3-CB 4.49Å; W816-C820 HydrophobicContact CZ2-CB 4.47Å; W816-C820 VanDerWaalsContact O-CB 3.3Å; W816-C820 WeakPolarHBondContact O-CB 3.4Å; W816-C820 PolarHBondContact O-N 3.49Å; W816-C820 PolarHBondContact O-SG 3.22Å; W816-F821 HydrophobicContact CE3-CE2 4.39Å; W816-F821 HydrophobicContact CH2-CE2 4.18Å; W816-F821 HydrophobicContact CH2-CZ 4.08Å; W816-F821 HydrophobicContact CZ3-CD2 4.43Å; W816-F821 AromaticContact CZ3-CE2 3.57Å; W816-F821 HydrophobicContact CZ3-CE2 3.57Å; W816-F821 AromaticContact CZ3-CZ 3.95Å; W816-F821 HydrophobicContact CZ3-CZ 3.95Å; W816-V1042 HydrophobicContact CZ3-CG2 4.37Å; W816-L1046 HydrophobicContact CB-CD1 4.17Å; W816-L1046 HydrophobicContact CB-CD2 4.49Å; W816-L1046 HydrophobicContact CD2-CB 4.25Å; W816-L1046 HydrophobicContact CD2-CD1 3.98Å; W816-L1046 HydrophobicContact CD2-CD2 4.06Å; W816-L1046 HydrophobicContact CD2-CG 4.32Å; W816-L1046 HydrophobicContact CE3-CB 4.03Å; W816-L1046 HydrophobicContact CE3-CD1 4.32Å; W816-L1046 HydrophobicContact CE3-CD2 3.56Å; W816-L1046 HydrophobicContact CE3-CG 4.17Å; W816-L1046 HydrophobicContact CG-CD1 3.91Å; W816-L1046 HydrophobicContact CG-CD2 4.48Å; W816-L1046 HydrophobicContact CH2-CB 4.11Å; W816-L1046 HydrophobicContact CZ2-CB 4.36Å; W816-L1046 HydrophobicContact CZ3-CB 3.93Å; W816-L1046 HydrophobicContact CZ3-CD2 4.06Å |
| 817 | T | 80.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | Y813 T814 T819 F821 P946 T947 I950 L1046 | Y813-T817 WeakPolarHBondContact O-CB 3.22Å; Y813-T817 WeakPolarHBondContact O-CG2 3.38Å; Y813-T817 PolarHBondContact O-N 3.04Å; Y813-T817 PolarHBondContact O-OG1 3.36Å; T814-T817 PolarHBondContact O-OG1 3.42Å; T817-T819 VanDerWaalsContact C-N 3.33Å; T817-T819 PolarHBondContact O-N 3.21Å; T817-F821 HydrophobicContact CG2-CD2 4.33Å; T817-F821 HydrophobicContact CG2-CE2 4.47Å; T817-F821 VanDerWaalsContact O-CB 3.32Å; T817-F821 WeakPolarHBondContact O-CB 3.39Å; T817-F821 PolarHBondContact O-N 2.98Å; T817-P946 HydrophobicContact CG2-CB 4.18Å; T817-T947 WeakPolarHBondContact CB-OG1 3.36Å; T817-T947 PolarHBondContact OG1-OG1 2.67Å; T817-I950 HydrophobicContact CG2-CD1 3.55Å; T817-I950 WeakPolarHBondContact OG1-CD1 3.44Å; T817-L1046 HydrophobicContact CG2-CD2 4.41Å |
| 818 | M | 77.5 | Confident | 77.4 | Confident | 20 Ų | 20 | 8.8 Ų | 8.8 | 10% | 0.099 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -59.5 | -44.5 | 171.9 | -78.8 | -64.9 | -176.2 | 0 | 0 | 111.3 | T814 L815 M822 V823 T947 | T814-M818 HydrophobicContact CG2-CG 4.4Å; T814-M818 WeakPolarHBondContact O-CB 3.42Å; T814-M818 WeakPolarHBondContact O-CG 3.27Å; T814-M818 PolarHBondContact O-N 2.96Å; L815-M818 PolarHBondContact O-N 3.12Å; M818-M822 CarbonylContact O-C 3.26Å; M818-M822 WeakPolarHBondContact O-CA 3.41Å; M818-M822 VanDerWaalsContact O-CB 3.24Å; M818-M822 WeakPolarHBondContact O-CB 3.21Å; M818-M822 PolarHBondContact O-N 3.32Å; M818-M822 HydrophobicContact SD-CB 4.3Å; M818-M822 HydrophobicContact SD-CG 3.9Å; M818-V823 PolarHBondContact O-N 3.13Å; M818-T947 HydrophobicContact CE-CG2 3.18Å; M818-T947 HydrophobicContact CG-CG2 3.7Å; M818-T947 HydrophobicContact SD-CG2 3.6Å |
| 819 | T | 79.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 8.9 Ų | 8.9 | 3% | 0.025 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -69.2 | -49.9 | -178.9 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | Y699 L786 L815 W816 T817 L824 | Y699-T819 HydrophobicContact CE2-CG2 3.46Å; Y699-T819 VanDerWaalsContact CE2-CG2 3.46Å; Y699-T819 VanDerWaalsContact CZ-CG2 3.45Å; Y699-T819 WeakPolarHBondContact OH-CG2 3.45Å; L786-T819 HydrophobicContact CD1-CG2 4.31Å; L786-T819 WeakPolarHBondContact CD1-OG1 3.07Å; L786-T819 HydrophobicContact CD2-CG2 3.86Å; L815-T819 HydrophobicContact CD1-CG2 4.38Å; L815-T819 WeakPolarHBondContact O-CB 3.5Å; L815-T819 VanDerWaalsContact O-CG2 3.29Å; L815-T819 WeakPolarHBondContact O-CG2 3.4Å; L815-T819 PolarHBondContact O-N 2.95Å; L815-T819 PolarHBondContact O-OG1 3.44Å; W816-T819 WeakPolarHBondContact CA-OG1 3.45Å; W816-T819 PolarHBondContact O-N 3.17Å; W816-T819 PolarHBondContact O-OG1 2.91Å; T817-T819 VanDerWaalsContact C-N 3.33Å; T817-T819 PolarHBondContact O-N 3.21Å; T819-L824 VanDerWaalsContact O-CG 3.31Å; T819-L824 WeakPolarHBondContact O-CG 3.36Å; T819-L824 PolarHBondContact O-N 3.35Å |
| 820 | C | 85.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -77.5 | -31.8 | -171.4 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | F776 W816 P825 | F776-C820 HydrophobicContact CD2-CB 4.28Å; F776-C820 HydrophobicContact CE2-CB 4.12Å; W816-C820 HydrophobicContact CD2-CB 4.45Å; W816-C820 VanDerWaalsContact CE2-SG 3.56Å; W816-C820 HydrophobicContact CE3-CB 4.49Å; W816-C820 HydrophobicContact CZ2-CB 4.47Å; W816-C820 VanDerWaalsContact O-CB 3.3Å; W816-C820 WeakPolarHBondContact O-CB 3.4Å; W816-C820 PolarHBondContact O-N 3.49Å; W816-C820 PolarHBondContact O-SG 3.22Å; C820-P825 VanDerWaalsContact O-CD 3.28Å; C820-P825 WeakPolarHBondContact O-CD 3.33Å; C820-P825 VanDerWaalsContact O-CG 3.28Å; C820-P825 WeakPolarHBondContact O-CG 3.27Å |
| 821 | F | 85.1 | Confident | 79.2 | Confident | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.009 | 4% | 0.039 | C | C | . | . | I | π-helix | trans | -111.9 | -17.2 | -173.5 | -59.8 | -49.1 | 0 | 0 | 0 | 114.4 | W816 T817 P825 F943 P946 I1038 L1041 V1042 | W816-F821 HydrophobicContact CE3-CE2 4.39Å; W816-F821 HydrophobicContact CH2-CE2 4.18Å; W816-F821 HydrophobicContact CH2-CZ 4.08Å; W816-F821 HydrophobicContact CZ3-CD2 4.43Å; W816-F821 AromaticContact CZ3-CE2 3.57Å; W816-F821 HydrophobicContact CZ3-CE2 3.57Å; W816-F821 AromaticContact CZ3-CZ 3.95Å; W816-F821 HydrophobicContact CZ3-CZ 3.95Å; T817-F821 HydrophobicContact CG2-CD2 4.33Å; T817-F821 HydrophobicContact CG2-CE2 4.47Å; T817-F821 VanDerWaalsContact O-CB 3.32Å; T817-F821 WeakPolarHBondContact O-CB 3.39Å; T817-F821 PolarHBondContact O-N 2.98Å; F821-P825 WeakPolarHBondContact O-CG 3.29Å; F821-F943 HydrophobicContact CB-CB 4.04Å; F821-F943 HydrophobicContact CB-CD2 4.36Å; F821-F943 VanDerWaalsContact CB-O 3.27Å; F821-F943 WeakPolarHBondContact CB-O 3.29Å; F821-F943 HydrophobicContact CD1-CD2 4.17Å; F821-F943 VanDerWaalsContact O-CB 3.24Å; F821-F943 WeakPolarHBondContact O-CB 3.47Å; F821-P946 HydrophobicContact CD2-CG 4.42Å; F821-I1038 HydrophobicContact CD2-CG2 4.47Å; F821-I1038 HydrophobicContact CE1-CG1 4.37Å; F821-I1038 HydrophobicContact CE1-CG2 4.44Å; F821-I1038 HydrophobicContact CE2-CG2 4.12Å; F821-I1038 HydrophobicContact CZ-CG2 4.11Å; F821-L1041 HydrophobicContact CE1-CB 4.34Å; F821-L1041 HydrophobicContact CE1-CD1 3.78Å; F821-L1041 HydrophobicContact CZ-CB 3.8Å; F821-L1041 HydrophobicContact CZ-CD1 4.1Å; F821-V1042 HydrophobicContact CE2-CG2 3.49Å; F821-V1042 VanDerWaalsContact CE2-CG2 3.49Å; F821-V1042 HydrophobicContact CZ-CG2 4.05Å |
| 822 | M | 78.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.01 | 4% | 0.035 | C | C | . | . | I | π-helix | trans | -110.1 | -59.3 | 175.5 | -57.7 | -65 | -73.7 | 0 | 0 | 111.7 | M818 F826 I845 I846 I940 S944 | M818-M822 CarbonylContact O-C 3.26Å; M818-M822 WeakPolarHBondContact O-CA 3.41Å; M818-M822 VanDerWaalsContact O-CB 3.24Å; M818-M822 WeakPolarHBondContact O-CB 3.21Å; M818-M822 PolarHBondContact O-N 3.32Å; M818-M822 HydrophobicContact SD-CB 4.3Å; M818-M822 HydrophobicContact SD-CG 3.9Å; M822-F826 WeakPolarHBondContact O-CB 3.22Å; M822-F826 PolarHBondContact O-N 3.18Å; M822-I845 HydrophobicContact CE-CG2 4.4Å; M822-I846 HydrophobicContact CE-CG1 4.05Å; M822-I940 HydrophobicContact CE-CG2 3.97Å; M822-I940 HydrophobicContact SD-CG2 4.34Å; M822-S944 WeakPolarHBondContact SD-CA 3.18Å; M822-S944 WeakPolarHBondContact SD-CB 3.21Å |
| 823 | V | 79.3 | Confident | 79.2 | Confident | 6 Ų | 6 | 6.5 Ų | 6.5 | 4% | 0.036 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -68.7 | -55.6 | -170.6 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | Y695 Y699 F727 M818 F826 L827 | Y695-V823 HydrophobicContact CE1-CG1 4.25Å; Y695-V823 WeakPolarHBondContact OH-CA 3.22Å; Y699-V823 HydrophobicContact CD2-CG2 3.82Å; Y699-V823 HydrophobicContact CE2-CG2 4.17Å; Y699-V823 HydrophobicContact CG-CG2 4.26Å; F727-V823 HydrophobicContact CE1-CG1 3.88Å; M818-V823 PolarHBondContact O-N 3.13Å; V823-F826 PolarHBondContact O-N 2.92Å; V823-L827 HydrophobicContact CG1-CD1 3.84Å; V823-L827 HydrophobicContact CG1-CG 4.47Å; V823-L827 VanDerWaalsContact O-CG 3.26Å; V823-L827 WeakPolarHBondContact O-CG 3.17Å; V823-L827 PolarHBondContact O-N 3.37Å |
| 824 | L | 83.7 | Confident | 78.7 | Confident | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.031 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | -177.6 | -63.8 | 171.4 | 0 | 0 | 0 | 112.5 | I772 I775 F776 L779 T819 F826 L827 S828 | I772-L824 HydrophobicContact CG2-CB 4.02Å; I772-L824 HydrophobicContact CG2-CD2 4.05Å; I775-L824 HydrophobicContact CB-CD1 4.42Å; I775-L824 HydrophobicContact CB-CD2 4.26Å; I775-L824 HydrophobicContact CD1-CD2 4.48Å; I775-L824 HydrophobicContact CG2-CD1 3.94Å; I775-L824 HydrophobicContact CG2-CD2 4.02Å; F776-L824 HydrophobicContact CB-CD1 3.92Å; F776-L824 HydrophobicContact CD2-CD1 4.35Å; L779-L824 HydrophobicContact CD1-CD1 4.04Å; T819-L824 VanDerWaalsContact O-CG 3.31Å; T819-L824 WeakPolarHBondContact O-CG 3.36Å; T819-L824 PolarHBondContact O-N 3.35Å; L824-F826 VanDerWaalsContact C-N 3.35Å; L824-F826 PolarHBondContact O-N 3.12Å; L824-L827 PolarHBondContact O-N 2.88Å; L824-S828 PolarHBondContact O-N 3.41Å; L824-S828 PolarHBondContact O-OG 3.46Å |
| 825 | P | 83.9 | Confident | 78.3 | Confident | 14 Ų | 14 | 8 Ų | 8 | 9% | 0.091 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.1 | -27.1 | 39.6 | 0 | 0 | 0 | 112.2 | C820 F821 L827 S828 L829 F943 | C820-P825 VanDerWaalsContact O-CD 3.28Å; C820-P825 WeakPolarHBondContact O-CD 3.33Å; C820-P825 VanDerWaalsContact O-CG 3.28Å; C820-P825 WeakPolarHBondContact O-CG 3.27Å; F821-P825 WeakPolarHBondContact O-CG 3.29Å; P825-L827 PolarHBondContact O-N 3.46Å; P825-S828 WeakPolarHBondContact CA-OG 3.32Å; P825-S828 PolarHBondContact O-N 2.94Å; P825-S828 PolarHBondContact O-OG 3.25Å; P825-L829 WeakPolarHBondContact O-CB 3.3Å; P825-L829 VanDerWaalsContact O-CG 3.27Å; P825-L829 WeakPolarHBondContact O-CG 3.34Å; P825-L829 PolarHBondContact O-N 3.37Å; P825-F943 HydrophobicContact CB-CD2 4.04Å; P825-F943 HydrophobicContact CB-CE2 4.26Å; P825-F943 HydrophobicContact CG-CD2 3.76Å; P825-F943 HydrophobicContact CG-CE2 4.02Å |
| 826 | F | 80.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 7.5 Ų | 7.5 | 0% | 0.004 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 175.8 | 173.4 | -118.1 | 0 | 0 | 0 | 112.5 | Y695 M822 V823 L824 S828 L829 L830 I839 V842 I940 | Y695-F826 HydrophobicContact CD1-CD1 4.36Å; Y695-F826 HydrophobicContact CD1-CE1 4.17Å; Y695-F826 HydrophobicContact CD2-CE1 4.3Å; Y695-F826 AromaticContact CE1-CD1 3.74Å; Y695-F826 HydrophobicContact CE1-CD1 3.74Å; Y695-F826 HydrophobicContact CE1-CE1 4.01Å; Y695-F826 HydrophobicContact CE2-CD1 4.09Å; Y695-F826 HydrophobicContact CE2-CE1 4.13Å; Y695-F826 HydrophobicContact CG-CE1 4.31Å; Y695-F826 AromaticContact CZ-CD1 3.58Å; Y695-F826 AromaticContact CZ-CE1 3.99Å; M822-F826 WeakPolarHBondContact O-CB 3.22Å; M822-F826 PolarHBondContact O-N 3.18Å; V823-F826 PolarHBondContact O-N 2.92Å; L824-F826 VanDerWaalsContact C-N 3.35Å; L824-F826 PolarHBondContact O-N 3.12Å; F826-S828 VanDerWaalsContact C-N 3.28Å; F826-S828 PolarHBondContact O-N 3.45Å; F826-L829 PolarHBondContact O-N 3.33Å; F826-L829 VanDerWaalsContact O-N 3.16Å; F826-L830 HydrophobicContact CD1-CD1 4.21Å; F826-L830 HydrophobicContact CD2-CG 4.29Å; F826-L830 HydrophobicContact CE1-CD1 3.64Å; F826-L830 HydrophobicContact CE1-CG 4.29Å; F826-L830 HydrophobicContact CE2-CD1 4.13Å; F826-L830 HydrophobicContact CE2-CD2 3.91Å; F826-L830 HydrophobicContact CE2-CG 3.89Å; F826-L830 HydrophobicContact CZ-CD1 3.61Å; F826-L830 HydrophobicContact CZ-CD2 3.98Å; F826-L830 HydrophobicContact CZ-CG 3.9Å; F826-L830 WeakPolarHBondContact O-CG 3.37Å; F826-L830 PolarHBondContact O-N 2.84Å; F826-I839 HydrophobicContact CZ-CB 4.15Å; F826-I839 HydrophobicContact CZ-CG1 3.97Å; F826-I839 HydrophobicContact CZ-CG2 4.11Å; F826-V842 HydrophobicContact CD1-CG1 4.29Å; F826-V842 HydrophobicContact CD2-CB 3.92Å; F826-V842 HydrophobicContact CD2-CG1 4.14Å; F826-V842 HydrophobicContact CD2-CG2 3.23Å; F826-V842 HydrophobicContact CE1-CG1 4.44Å; F826-V842 HydrophobicContact CE2-CB 3.73Å; F826-V842 HydrophobicContact CE2-CG1 4.28Å; F826-V842 HydrophobicContact CE2-CG2 3.34Å; F826-V842 HydrophobicContact CG-CB 4.38Å; F826-V842 HydrophobicContact CG-CG1 4.1Å; F826-V842 HydrophobicContact CG-CG2 3.99Å; F826-V842 HydrophobicContact CZ-CB 4.08Å; F826-V842 HydrophobicContact CZ-CG1 4.41Å; F826-V842 HydrophobicContact CZ-CG2 4.19Å; F826-I940 HydrophobicContact CD2-CD1 4.26Å |
| 827 | L | 81.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.8 | -69.5 | 169.2 | 0 | 0 | 0 | 111.6 | L692 I730 L734 I772 V823 L824 P825 V831 | L692-L827 HydrophobicContact CD1-CD2 4.28Å; I730-L827 HydrophobicContact CG2-CB 4.49Å; I730-L827 HydrophobicContact CG2-CD1 3.81Å; I730-L827 HydrophobicContact CG2-CD2 3.92Å; I730-L827 HydrophobicContact CG2-CG 4.29Å; L734-L827 HydrophobicContact CD1-CD2 3.63Å; I772-L827 HydrophobicContact CD1-CB 3.79Å; V823-L827 HydrophobicContact CG1-CD1 3.84Å; V823-L827 HydrophobicContact CG1-CG 4.47Å; V823-L827 VanDerWaalsContact O-CG 3.26Å; V823-L827 WeakPolarHBondContact O-CG 3.17Å; V823-L827 PolarHBondContact O-N 3.37Å; L824-L827 PolarHBondContact O-N 2.88Å; P825-L827 PolarHBondContact O-N 3.46Å; L827-V831 WeakPolarHBondContact O-CG2 3.33Å |
| 828 | S | 83.5 | Confident | 75.8 | Confident | 18 Ų | 18 | 8 Ų | 8 | 13% | 0.126 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 174.8 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | L824 P825 F826 L830 V831 F832 | L824-S828 PolarHBondContact O-N 3.41Å; L824-S828 PolarHBondContact O-OG 3.46Å; P825-S828 WeakPolarHBondContact CA-OG 3.32Å; P825-S828 PolarHBondContact O-N 2.94Å; P825-S828 PolarHBondContact O-OG 3.25Å; F826-S828 VanDerWaalsContact C-N 3.28Å; F826-S828 PolarHBondContact O-N 3.45Å; S828-L830 VanDerWaalsContact C-N 3.34Å; S828-L830 PolarHBondContact O-N 3.37Å; S828-V831 WeakPolarHBondContact O-CB 2.88Å; S828-V831 PolarHBondContact O-N 3.32Å; S828-V831 VanDerWaalsContact O-N 3.16Å; S828-F832 WeakPolarHBondContact O-CD2 3.44Å |
| 829 | L | 81.4 | Confident | 74.9 | Confident | 4 Ų | 4 | 7.4 Ų | 7.4 | 2% | 0.021 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.6 | -35.7 | 178.5 | -72.7 | 169 | 0 | 0 | 0 | 111.4 | P825 F826 V831 F832 L833 L932 I940 | P825-L829 WeakPolarHBondContact O-CB 3.3Å; P825-L829 VanDerWaalsContact O-CG 3.27Å; P825-L829 WeakPolarHBondContact O-CG 3.34Å; P825-L829 PolarHBondContact O-N 3.37Å; F826-L829 PolarHBondContact O-N 3.33Å; F826-L829 VanDerWaalsContact O-N 3.16Å; L829-V831 PolarHBondContact O-N 3.45Å; L829-F832 PolarHBondContact O-N 3.16Å; L829-F832 VanDerWaalsContact O-N 3.09Å; L829-L833 HydrophobicContact CB-CD1 4.08Å; L829-L833 VanDerWaalsContact O-CB 3.23Å; L829-L833 WeakPolarHBondContact O-CB 3.5Å; L829-L833 WeakPolarHBondContact O-CG 3.18Å; L829-L833 PolarHBondContact O-N 3.26Å; L829-L932 HydrophobicContact CD2-CB 4.13Å; L829-L932 VanDerWaalsContact CD2-O 3.23Å; L829-L932 WeakPolarHBondContact CD2-O 3.29Å; L829-I940 HydrophobicContact CD1-CD1 3.58Å; L829-I940 HydrophobicContact CD1-CG1 3.58Å |
| 830 | L | 79.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.4 | -28.2 | 173.8 | -73.7 | 177.2 | 0 | 0 | 0 | 113.5 | L734 F826 S828 N834 I839 | L734-L830 HydrophobicContact CD1-CD1 4.34Å; L734-L830 HydrophobicContact CD2-CB 3.93Å; F826-L830 HydrophobicContact CD1-CD1 4.21Å; F826-L830 HydrophobicContact CD2-CG 4.29Å; F826-L830 HydrophobicContact CE1-CD1 3.64Å; F826-L830 HydrophobicContact CE1-CG 4.29Å; F826-L830 HydrophobicContact CE2-CD1 4.13Å; F826-L830 HydrophobicContact CE2-CD2 3.91Å; F826-L830 HydrophobicContact CE2-CG 3.89Å; F826-L830 HydrophobicContact CZ-CD1 3.61Å; F826-L830 HydrophobicContact CZ-CD2 3.98Å; F826-L830 HydrophobicContact CZ-CG 3.9Å; F826-L830 WeakPolarHBondContact O-CG 3.37Å; F826-L830 PolarHBondContact O-N 2.84Å; S828-L830 VanDerWaalsContact C-N 3.34Å; S828-L830 PolarHBondContact O-N 3.37Å; L830-N834 PolarHBondContact O-N 3.47Å; L830-I839 HydrophobicContact CD1-CG1 4.26Å; L830-I839 HydrophobicContact CD2-CD1 4.42Å; L830-I839 HydrophobicContact CD2-CG1 3.67Å |
| 831 | V | 77.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 174.5 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | L734 L737 A765 L768 L769 L827 S828 L829 | L734-V831 HydrophobicContact CD2-CG2 4.29Å; L737-V831 HydrophobicContact CD1-CG1 4.28Å; A765-V831 HydrophobicContact CB-CG1 3.62Å; L768-V831 HydrophobicContact CD2-CG2 3.33Å; L768-V831 HydrophobicContact CG-CG2 4Å; L769-V831 HydrophobicContact CD1-CG1 4.09Å; L769-V831 HydrophobicContact CD2-CB 4.19Å; L769-V831 HydrophobicContact CD2-CG1 4.47Å; L769-V831 HydrophobicContact CD2-CG2 4.13Å; L769-V831 HydrophobicContact CG-CB 4.33Å; L769-V831 HydrophobicContact CG-CG1 4.08Å; L769-V831 HydrophobicContact CG-CG2 4.32Å; L827-V831 WeakPolarHBondContact O-CG2 3.33Å; S828-V831 WeakPolarHBondContact O-CB 2.88Å; S828-V831 PolarHBondContact O-N 3.32Å; S828-V831 VanDerWaalsContact O-N 3.16Å; L829-V831 PolarHBondContact O-N 3.45Å |
| 832 | F | 72 | Confident | 71 | Confident | 15 Ų | 15 | 10 Ų | 10 | 7% | 0.066 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -79.1 | -45 | -178.4 | -60.3 | -60.6 | 0 | 0 | 0 | 112.2 | L769 S828 L829 N834 A914 A915 T929 L932 H933 | L769-F832 HydrophobicContact CD1-CE1 3.81Å; L769-F832 HydrophobicContact CD1-CZ 3.68Å; L769-F832 HydrophobicContact CD2-CE2 3.91Å; L769-F832 HydrophobicContact CD2-CZ 3.76Å; L769-F832 HydrophobicContact CG-CZ 4.4Å; S828-F832 WeakPolarHBondContact O-CD2 3.44Å; L829-F832 PolarHBondContact O-N 3.16Å; L829-F832 VanDerWaalsContact O-N 3.09Å; F832-N834 PolarHBondContact O-N 2.82Å; F832-A914 HydrophobicContact CD1-CB 4.34Å; F832-A915 HydrophobicContact CE1-CB 4.11Å; F832-T929 HydrophobicContact CD1-CG2 3.85Å; F832-T929 HydrophobicContact CE1-CG2 3.49Å; F832-T929 VanDerWaalsContact CE1-CG2 3.49Å; F832-T929 HydrophobicContact CZ-CG2 4.2Å; F832-L932 HydrophobicContact CE2-CD1 4.14Å; F832-H933 PolarHBondContact O-CD2 2.67Å |
| 833 | L | 68.9 | Low | 69.9 | Low | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.016 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.3 | -36 | -179.3 | -72.3 | 169.2 | 0 | 0 | 0 | 111.6 | L829 E835 I838 H933 | L829-L833 HydrophobicContact CB-CD1 4.08Å; L829-L833 VanDerWaalsContact O-CB 3.23Å; L829-L833 WeakPolarHBondContact O-CB 3.5Å; L829-L833 WeakPolarHBondContact O-CG 3.18Å; L829-L833 PolarHBondContact O-N 3.26Å; L833-E835 WeakPolarHBondContact O-CB 3.48Å; L833-E835 WeakPolarHBondContact O-CG 3.46Å; L833-E835 PolarHBondContact O-N 2.78Å; L833-I838 HydrophobicContact CB-CD1 3.95Å; L833-I838 HydrophobicContact CD1-CB 4.22Å; L833-I838 HydrophobicContact CD1-CD1 3.63Å; L833-I838 HydrophobicContact CD1-CG2 3.75Å; L833-I838 HydrophobicContact CD2-CD1 3.48Å; L833-I838 VanDerWaalsContact CD2-CD1 3.48Å; L833-I838 HydrophobicContact CG-CD1 3.86Å; L833-H933 WeakPolarHBondContact CA-NE2 3.31Å; L833-H933 HydrophobicContact CD2-CB 4.48Å; L833-H933 VanDerWaalsContact CD2-CE1 3.5Å; L833-H933 WeakPolarHBondContact CD2-CE1 3.43Å |
| 834 | N | 65.6 | Low | 68.6 | Low | 30 Ų | 30 | 13.1 Ų | 13.1 | 16% | 0.16 | 6% | 0.063 | C | C | . | . | trans | 52.3 | 5.5 | -174 | -150.4 | 30.2 | 0 | 0 | 0 | 115.8 | D741 R761 L830 F832 | D741-N834 PolarHBondContact OD1-ND2 3.13Å; D741-N834 PolarHBondContact OD2-ND2 3.37Å; D741-N834 PolarHBondContact OD2-OD1 2.99Å; R761-N834 PolarHBondContact NH2-ND2 3.02Å; R761-N834 VanDerWaalsContact NH2-ND2 3.14Å; L830-N834 PolarHBondContact O-N 3.47Å; F832-N834 PolarHBondContact O-N 2.82Å | ||
| 835 | E | 64.4 | Low | 67.2 | Low | 24 Ų | 24 | 13 Ų | 13 | 11% | 0.112 | 6% | 0.062 | C | C | . | . | trans | -112 | 113.1 | -171.7 | -78.2 | -58.7 | 150.1 | 0 | 0 | 110 | S667 R684 L833 H837 I838 | S667-E835 WeakPolarHBondContact CA-OE1 3.11Å; S667-E835 WeakPolarHBondContact CB-OE1 3.47Å; R684-E835 IonicContact NH2-OE2 3.98Å; L833-E835 WeakPolarHBondContact O-CB 3.48Å; L833-E835 WeakPolarHBondContact O-CG 3.46Å; L833-E835 PolarHBondContact O-N 2.78Å; E835-H837 VanDerWaalsContact C-N 3.25Å; E835-H837 PolarHBondContact O-N 3.18Å; E835-H837 IonicContact OE2-CE1 3.58Å; E835-H837 PolarHBondContact OE2-CE1 2.87Å; E835-H837 IonicContact OE2-ND1 3.81Å; E835-H837 PolarHBondContact OE2-ND1 2.84Å; E835-H837 VanDerWaalsContact OE2-ND1 3.1Å; E835-I838 HydrophobicContact CB-CD1 4.02Å; E835-I838 HydrophobicContact CB-CG1 4.4Å | ||
| 836 | F | 60.6 | Low | 65.6 | Low | 7 Ų | 7 | 13.4 Ų | 13.4 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -69 | -23 | -176.7 | 65.9 | -84.7 | 0 | 0 | 0 | 113.3 | R684 F687 A688 I838 I839 | R684-F836 HydrophobicContact CB-CE1 3.84Å; R684-F836 HydrophobicContact CB-CE2 4.42Å; R684-F836 HydrophobicContact CB-CZ 3.77Å; R684-F836 HydrophobicContact CG-CE1 4.09Å; R684-F836 HydrophobicContact CG-CE2 4.42Å; R684-F836 HydrophobicContact CG-CZ 3.65Å; R684-F836 VanDerWaalsContact NH2-CE1 3.31Å; F687-F836 HydrophobicContact CD1-CD2 4.23Å; F687-F836 HydrophobicContact CD1-CE2 4.32Å; A688-F836 HydrophobicContact CB-CB 3.29Å; A688-F836 HydrophobicContact CB-CD2 4.24Å; A688-F836 HydrophobicContact CB-CG 3.78Å; F836-I838 PolarHBondContact O-N 2.95Å; F836-I839 HydrophobicContact CB-CD1 4.18Å; F836-I839 VanDerWaalsContact O-CB 3.31Å; F836-I839 WeakPolarHBondContact O-CB 3.37Å; F836-I839 WeakPolarHBondContact O-CD1 3.3Å; F836-I839 VanDerWaalsContact O-CG1 3.22Å; F836-I839 WeakPolarHBondContact O-CG1 3.39Å; F836-I839 PolarHBondContact O-N 3.06Å; F836-I839 VanDerWaalsContact O-N 3.11Å |
| 837 | H | 61.3 | Low | 64.1 | Low | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.037 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -65.7 | -23.3 | -175.3 | 67.7 | -99.3 | 0 | 0 | 0 | 111.4 | F643 L664 E835 I839 W840 | F643-H837 HydrophobicContact CD1-CB 4.16Å; F643-H837 AromaticContact CD1-CD2 3.98Å; F643-H837 HydrophobicContact CE1-CB 3.92Å; F643-H837 VanDerWaalsContact CE1-O 3.25Å; F643-H837 WeakPolarHBondContact CE1-O 3.29Å; L664-H837 HydrophobicContact CD2-CB 4.36Å; L664-H837 HydrophobicContact CG-CB 4.07Å; L664-H837 PolarHBondContact O-ND1 3.49Å; E835-H837 VanDerWaalsContact C-N 3.25Å; E835-H837 PolarHBondContact O-N 3.18Å; E835-H837 IonicContact OE2-CE1 3.58Å; E835-H837 PolarHBondContact OE2-CE1 2.87Å; E835-H837 IonicContact OE2-ND1 3.81Å; E835-H837 PolarHBondContact OE2-ND1 2.84Å; E835-H837 VanDerWaalsContact OE2-ND1 3.1Å; H837-I839 VanDerWaalsContact C-N 3.25Å; H837-I839 PolarHBondContact O-N 2.95Å; H837-W840 WeakPolarHBondContact O-CB 3.48Å; H837-W840 PolarHBondContact O-N 3.27Å |
| 838 | I | 61.6 | Low | 62.6 | Low | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -70.6 | -19.8 | 178 | -60 | 172.4 | 0 | 0 | 0 | 112.5 | L833 E835 F836 W840 L841 T898 | L833-I838 HydrophobicContact CB-CD1 3.95Å; L833-I838 HydrophobicContact CD1-CB 4.22Å; L833-I838 HydrophobicContact CD1-CD1 3.63Å; L833-I838 HydrophobicContact CD1-CG2 3.75Å; L833-I838 HydrophobicContact CD2-CD1 3.48Å; L833-I838 VanDerWaalsContact CD2-CD1 3.48Å; L833-I838 HydrophobicContact CG-CD1 3.86Å; E835-I838 HydrophobicContact CB-CD1 4.02Å; E835-I838 HydrophobicContact CB-CG1 4.4Å; F836-I838 PolarHBondContact O-N 2.95Å; I838-W840 PolarHBondContact O-N 2.91Å; I838-L841 HydrophobicContact CG2-CB 4.48Å; I838-L841 HydrophobicContact CG2-CD1 4.44Å; I838-L841 VanDerWaalsContact O-CB 3.26Å; I838-L841 WeakPolarHBondContact O-CB 3.24Å; I838-L841 PolarHBondContact O-N 2.95Å; I838-T898 HydrophobicContact CG2-CG2 3.93Å |
| 839 | I | 59.9 | Low | 61 | Low | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.4 | -32.8 | 176.4 | -62.1 | 168.5 | 0 | 0 | 0 | 111.3 | M691 W738 F826 L830 F836 H837 L841 V842 F843 | M691-I839 HydrophobicContact CB-CD1 4.47Å; M691-I839 HydrophobicContact CB-CG2 3.82Å; W738-I839 HydrophobicContact CH2-CD1 3.77Å; W738-I839 HydrophobicContact CZ2-CD1 4.08Å; F826-I839 HydrophobicContact CZ-CB 4.15Å; F826-I839 HydrophobicContact CZ-CG1 3.97Å; F826-I839 HydrophobicContact CZ-CG2 4.11Å; L830-I839 HydrophobicContact CD1-CG1 4.26Å; L830-I839 HydrophobicContact CD2-CD1 4.42Å; L830-I839 HydrophobicContact CD2-CG1 3.67Å; F836-I839 HydrophobicContact CB-CD1 4.18Å; F836-I839 VanDerWaalsContact O-CB 3.31Å; F836-I839 WeakPolarHBondContact O-CB 3.37Å; F836-I839 WeakPolarHBondContact O-CD1 3.3Å; F836-I839 VanDerWaalsContact O-CG1 3.22Å; F836-I839 WeakPolarHBondContact O-CG1 3.39Å; F836-I839 PolarHBondContact O-N 3.06Å; F836-I839 VanDerWaalsContact O-N 3.11Å; H837-I839 VanDerWaalsContact C-N 3.25Å; H837-I839 PolarHBondContact O-N 2.95Å; I839-L841 VanDerWaalsContact C-N 3.32Å; I839-L841 PolarHBondContact O-N 3.26Å; I839-V842 PolarHBondContact O-N 2.72Å; I839-F843 PolarHBondContact O-N 3.26Å; I839-F843 VanDerWaalsContact O-N 3.11Å |
| 840 | W | 58.2 | Low | 59.3 | Low | 55 Ų | 55 | 21.1 Ų | 21.1 | 21% | 0.208 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.8 | -30.9 | 177.8 | -77 | 121.4 | 0 | 0 | 0 | 114.9 | F639 F643 F687 M691 H837 I838 F843 I844 | F639-W840 HydrophobicContact CE1-CB 4.01Å; F639-W840 HydrophobicContact CE1-CD2 4.23Å; F639-W840 HydrophobicContact CE1-CE3 4.22Å; F639-W840 HydrophobicContact CE1-CG 4.23Å; F639-W840 HydrophobicContact CE2-CD2 4.03Å; F639-W840 AromaticContact CE2-CE2 3.85Å; F639-W840 HydrophobicContact CE2-CE3 4.14Å; F639-W840 AromaticContact CE2-CH2 3.88Å; F639-W840 HydrophobicContact CE2-CH2 3.88Å; F639-W840 AromaticContact CE2-CZ2 3.71Å; F639-W840 HydrophobicContact CE2-CZ2 3.71Å; F639-W840 HydrophobicContact CE2-CZ3 4.12Å; F639-W840 HydrophobicContact CZ-CB 3.82Å; F639-W840 AromaticContact CZ-CD2 3.3Å; F639-W840 HydrophobicContact CZ-CD2 3.3Å; F639-W840 AromaticContact CZ-CE2 3.57Å; F639-W840 AromaticContact CZ-CE3 3.47Å; F639-W840 HydrophobicContact CZ-CE3 3.47Å; F639-W840 VanDerWaalsContact CZ-CE3 3.47Å; F639-W840 AromaticContact CZ-CG 3.54Å; F639-W840 HydrophobicContact CZ-CG 3.54Å; F639-W840 HydrophobicContact CZ-CH2 4.05Å; F639-W840 AromaticContact CZ-CZ2 3.88Å; F639-W840 HydrophobicContact CZ-CZ2 3.88Å; F639-W840 AromaticContact CZ-CZ3 3.89Å; F639-W840 HydrophobicContact CZ-CZ3 3.89Å; F643-W840 HydrophobicContact CE1-CB 4.12Å; F643-W840 AromaticContact CE1-CD1 3.61Å; F643-W840 HydrophobicContact CE1-CG 4.17Å; F643-W840 HydrophobicContact CE2-CB 4.37Å; F643-W840 HydrophobicContact CZ-CB 3.75Å; F643-W840 AromaticContact CZ-CD1 3.31Å; F643-W840 AromaticContact CZ-CG 3.66Å; F643-W840 HydrophobicContact CZ-CG 3.66Å; F643-W840 AromaticContact CZ-NE1 3.9Å; F687-W840 AromaticContact CE1-CE2 4Å; F687-W840 HydrophobicContact CE1-CZ2 4.32Å; F687-W840 AromaticContact CE1-NE1 3.34Å; F687-W840 VanDerWaalsContact CE1-NE1 3.34Å; F687-W840 HydrophobicContact CE2-CZ2 4.4Å; F687-W840 AromaticContact CZ-CE2 3.66Å; F687-W840 AromaticContact CZ-CZ2 3.52Å; F687-W840 HydrophobicContact CZ-CZ2 3.52Å; F687-W840 AromaticContact CZ-NE1 3.44Å; M691-W840 HydrophobicContact CE-CD2 3.84Å; M691-W840 HydrophobicContact CE-CE3 3.88Å; M691-W840 HydrophobicContact CE-CH2 3.09Å; M691-W840 HydrophobicContact CE-CZ2 3.06Å; M691-W840 HydrophobicContact CE-CZ3 3.5Å; M691-W840 VanDerWaalsContact CE-CZ3 3.5Å; H837-W840 WeakPolarHBondContact O-CB 3.48Å; H837-W840 PolarHBondContact O-N 3.27Å; I838-W840 PolarHBondContact O-N 2.91Å; W840-F843 HydrophobicContact CE3-CB 4.47Å; W840-F843 HydrophobicContact CE3-CD1 4.42Å; W840-F843 HydrophobicContact CZ3-CD1 4.43Å; W840-F843 CarbonylContact O-C 3.56Å; W840-F843 WeakPolarHBondContact O-CB 3.27Å; W840-F843 PolarHBondContact O-N 2.85Å; W840-I844 WeakPolarHBondContact O-CB 3.38Å; W840-I844 WeakPolarHBondContact O-CG1 3.21Å; W840-I844 PolarHBondContact O-N 3.36Å |
| 841 | L | 55.5 | Low | 57.7 | Low | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | -178.7 | -136.7 | 166.3 | 0 | 0 | 0 | 110.9 | I838 I839 F843 I844 I845 I897 T898 | I838-L841 HydrophobicContact CG2-CB 4.48Å; I838-L841 HydrophobicContact CG2-CD1 4.44Å; I838-L841 VanDerWaalsContact O-CB 3.26Å; I838-L841 WeakPolarHBondContact O-CB 3.24Å; I838-L841 PolarHBondContact O-N 2.95Å; I839-L841 VanDerWaalsContact C-N 3.32Å; I839-L841 PolarHBondContact O-N 3.26Å; L841-F843 VanDerWaalsContact C-N 3.34Å; L841-I844 WeakPolarHBondContact O-CB 3.41Å; L841-I844 PolarHBondContact O-N 3.27Å; L841-I845 HydrophobicContact CD2-CD1 3.51Å; L841-I845 HydrophobicContact CD2-CG1 4.12Å; L841-I845 WeakPolarHBondContact O-CB 3.18Å; L841-I845 VanDerWaalsContact O-CG1 3.25Å; L841-I845 WeakPolarHBondContact O-CG1 3.18Å; L841-I845 PolarHBondContact O-N 3.44Å; L841-I897 HydrophobicContact CB-CG2 4.4Å; L841-I897 HydrophobicContact CD1-CB 3.4Å; L841-I897 VanDerWaalsContact CD1-CB 3.4Å; L841-I897 HydrophobicContact CD1-CG2 3.45Å; L841-I897 VanDerWaalsContact CD1-CG2 3.45Å; L841-I897 HydrophobicContact CD2-CB 4.21Å; L841-I897 HydrophobicContact CD2-CD1 4.29Å; L841-I897 HydrophobicContact CD2-CG2 4.38Å; L841-I897 HydrophobicContact CG-CB 3.66Å; L841-I897 HydrophobicContact CG-CD1 4.4Å; L841-I897 HydrophobicContact CG-CG2 3.42Å; L841-I897 VanDerWaalsContact CG-CG2 3.42Å; L841-T898 HydrophobicContact CD1-CG2 3.27Å; L841-T898 VanDerWaalsContact CD1-N 3.33Å |
| 842 | V | 54.9 | Low | 56.1 | Low | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 174 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | Y695 F826 I839 I844 I845 I846 I940 | Y695-V842 HydrophobicContact CE2-CG1 3.8Å; F826-V842 HydrophobicContact CD1-CG1 4.29Å; F826-V842 HydrophobicContact CD2-CB 3.92Å; F826-V842 HydrophobicContact CD2-CG1 4.14Å; F826-V842 HydrophobicContact CD2-CG2 3.23Å; F826-V842 HydrophobicContact CE1-CG1 4.44Å; F826-V842 HydrophobicContact CE2-CB 3.73Å; F826-V842 HydrophobicContact CE2-CG1 4.28Å; F826-V842 HydrophobicContact CE2-CG2 3.34Å; F826-V842 HydrophobicContact CG-CB 4.38Å; F826-V842 HydrophobicContact CG-CG1 4.1Å; F826-V842 HydrophobicContact CG-CG2 3.99Å; F826-V842 HydrophobicContact CZ-CB 4.08Å; F826-V842 HydrophobicContact CZ-CG1 4.41Å; F826-V842 HydrophobicContact CZ-CG2 4.19Å; I839-V842 PolarHBondContact O-N 2.72Å; V842-I844 VanDerWaalsContact C-N 3.32Å; V842-I844 PolarHBondContact O-N 2.95Å; V842-I845 PolarHBondContact O-N 3.42Å; V842-I846 HydrophobicContact CG1-CD1 3.45Å; V842-I846 VanDerWaalsContact CG1-CD1 3.45Å; V842-I846 HydrophobicContact CG1-CG1 4.12Å; V842-I846 WeakPolarHBondContact O-CB 3.32Å; V842-I846 WeakPolarHBondContact O-CG1 3.45Å; V842-I846 PolarHBondContact O-N 3.31Å; V842-I940 HydrophobicContact CG2-CD1 3.72Å; V842-I940 HydrophobicContact CG2-CG2 4.31Å |
| 843 | F | 54.4 | Low | 54.6 | Low | 60 Ų | 60 | 31 Ų | 31 | 26% | 0.263 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 171.4 | -169.5 | -90.8 | 0 | 0 | 0 | 111.4 | I694 L698 I839 W840 L841 F847 | I694-F843 HydrophobicContact CG2-CE2 4.26Å; L698-F843 HydrophobicContact CD1-CD2 4.26Å; L698-F843 HydrophobicContact CD1-CE2 3.6Å; I839-F843 PolarHBondContact O-N 3.26Å; I839-F843 VanDerWaalsContact O-N 3.11Å; W840-F843 HydrophobicContact CE3-CB 4.47Å; W840-F843 HydrophobicContact CE3-CD1 4.42Å; W840-F843 HydrophobicContact CZ3-CD1 4.43Å; W840-F843 CarbonylContact O-C 3.56Å; W840-F843 WeakPolarHBondContact O-CB 3.27Å; W840-F843 PolarHBondContact O-N 2.85Å; L841-F843 VanDerWaalsContact C-N 3.34Å; F843-F847 HydrophobicContact CD1-CB 4.27Å; F843-F847 HydrophobicContact CE1-CB 4.19Å; F843-F847 HydrophobicContact CE1-CD2 4.04Å; F843-F847 HydrophobicContact CE1-CG 4.23Å; F843-F847 HydrophobicContact CZ-CD2 4.22Å; F843-F847 WeakPolarHBondContact O-CA 3.28Å; F843-F847 WeakPolarHBondContact O-CB 3.43Å; F843-F847 PolarHBondContact O-N 3.47Å |
| 844 | I | 52.9 | Low | 53 | Low | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -52.1 | 175.8 | -81.9 | 165.4 | 0 | 0 | 0 | 111.2 | F636 F639 I640 W840 L841 V842 I846 F847 I848 | F636-I844 HydrophobicContact CE2-CD1 4.21Å; F636-I844 HydrophobicContact CE2-CG1 4.23Å; F636-I844 HydrophobicContact CE2-CG2 3.52Å; F636-I844 HydrophobicContact CZ-CG2 4.14Å; F639-I844 HydrophobicContact CD1-CD1 3.66Å; F639-I844 HydrophobicContact CD1-CG1 4.49Å; F639-I844 HydrophobicContact CE1-CD1 3.49Å; F639-I844 VanDerWaalsContact CE1-CD1 3.49Å; F639-I844 HydrophobicContact CE1-CG1 4.25Å; I640-I844 HydrophobicContact CG1-CD1 4.07Å; W840-I844 WeakPolarHBondContact O-CB 3.38Å; W840-I844 WeakPolarHBondContact O-CG1 3.21Å; W840-I844 PolarHBondContact O-N 3.36Å; L841-I844 WeakPolarHBondContact O-CB 3.41Å; L841-I844 PolarHBondContact O-N 3.27Å; V842-I844 VanDerWaalsContact C-N 3.32Å; V842-I844 PolarHBondContact O-N 2.95Å; I844-I846 VanDerWaalsContact C-N 3.31Å; I844-I846 PolarHBondContact O-N 3.49Å; I844-F847 PolarHBondContact O-N 2.89Å; I844-I848 HydrophobicContact CG2-CD1 3.57Å; I844-I848 HydrophobicContact CG2-CG1 4.26Å; I844-I848 VanDerWaalsContact O-CB 3.27Å; I844-I848 WeakPolarHBondContact O-CB 3.3Å; I844-I848 VanDerWaalsContact O-CG1 3.22Å; I844-I848 WeakPolarHBondContact O-CG1 3.39Å; I844-I848 PolarHBondContact O-N 3.47Å |
| 845 | I | 53.5 | Low | 51.5 | Low | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | -177 | -70.3 | 163 | 0 | 0 | 0 | 108.5 | M822 L841 V842 Q849 L890 I940 I941 | M822-I845 HydrophobicContact CE-CG2 4.4Å; L841-I845 HydrophobicContact CD2-CD1 3.51Å; L841-I845 HydrophobicContact CD2-CG1 4.12Å; L841-I845 WeakPolarHBondContact O-CB 3.18Å; L841-I845 VanDerWaalsContact O-CG1 3.25Å; L841-I845 WeakPolarHBondContact O-CG1 3.18Å; L841-I845 PolarHBondContact O-N 3.44Å; V842-I845 PolarHBondContact O-N 3.42Å; I845-Q849 HydrophobicContact CG2-CG 4.47Å; I845-Q849 VanDerWaalsContact CG2-NE2 3.32Å; I845-Q849 WeakPolarHBondContact O-CB 3.36Å; I845-Q849 WeakPolarHBondContact O-CG 3.46Å; I845-Q849 PolarHBondContact O-N 3.35Å; I845-L890 HydrophobicContact CG1-CD2 4.4Å; I845-I940 HydrophobicContact CD1-CG2 4.48Å; I845-I941 HydrophobicContact CD1-CD1 3.93Å; I845-I941 HydrophobicContact CD1-CG1 3.67Å; I845-I941 HydrophobicContact CG1-CD1 4.44Å; I845-I941 HydrophobicContact CG1-CG1 4.32Å; I845-I941 HydrophobicContact CG2-CG1 4.49Å |
| 846 | I | 51.5 | Low | 50.1 | Low | 24 Ų | 24 | 37.8 Ų | 37.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.6 | -68.4 | 173.4 | 0 | 0 | 0 | 111 | Y695 M822 V842 I844 Q849 L850 | Y695-I846 HydrophobicContact CD2-CD1 4.49Å; Y695-I846 HydrophobicContact CE2-CD1 3.62Å; M822-I846 HydrophobicContact CE-CG1 4.05Å; V842-I846 HydrophobicContact CG1-CD1 3.45Å; V842-I846 VanDerWaalsContact CG1-CD1 3.45Å; V842-I846 HydrophobicContact CG1-CG1 4.12Å; V842-I846 WeakPolarHBondContact O-CB 3.32Å; V842-I846 WeakPolarHBondContact O-CG1 3.45Å; V842-I846 PolarHBondContact O-N 3.31Å; I844-I846 VanDerWaalsContact C-N 3.31Å; I844-I846 PolarHBondContact O-N 3.49Å; I846-Q849 PolarHBondContact O-N 2.82Å; I846-L850 HydrophobicContact CG2-CD1 3.53Å; I846-L850 HydrophobicContact CG2-CG 4.12Å; I846-L850 VanDerWaalsContact O-CB 3.22Å; I846-L850 WeakPolarHBondContact O-CB 3.47Å; I846-L850 WeakPolarHBondContact O-CG 3.43Å; I846-L850 PolarHBondContact O-N 3.17Å |
| 847 | F | 48.5 | Very low | 48.6 | Very low | 83 Ų | 83 | 40.7 Ų | 40.7 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.8 | -39.4 | -177.5 | -170.9 | -98.1 | 0 | 0 | 0 | 111.7 | F843 I844 L850 R851 | F843-F847 HydrophobicContact CD1-CB 4.27Å; F843-F847 HydrophobicContact CE1-CB 4.19Å; F843-F847 HydrophobicContact CE1-CD2 4.04Å; F843-F847 HydrophobicContact CE1-CG 4.23Å; F843-F847 HydrophobicContact CZ-CD2 4.22Å; F843-F847 WeakPolarHBondContact O-CA 3.28Å; F843-F847 WeakPolarHBondContact O-CB 3.43Å; F843-F847 PolarHBondContact O-N 3.47Å; I844-F847 PolarHBondContact O-N 2.89Å; F847-L850 CarbonylContact O-C 3.52Å; F847-L850 PolarHBondContact O-N 2.79Å; F847-R851 HydrophobicContact CD1-CG 3.83Å; F847-R851 HydrophobicContact CE1-CG 3.51Å; F847-R851 HydrophobicContact CE2-CG 4.23Å; F847-R851 HydrophobicContact CG-CG 4.34Å; F847-R851 HydrophobicContact CZ-CG 3.73Å; F847-R851 WeakPolarHBondContact O-CA 3.3Å; F847-R851 WeakPolarHBondContact O-CB 3.37Å; F847-R851 WeakPolarHBondContact O-CG 3.36Å; F847-R851 PolarHBondContact O-N 2.95Å |
| 848 | I | 49.5 | Very low | 46.9 | Very low | 26 Ų | 26 | 48.9 Ų | 48.9 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 172 | -70.7 | 175.1 | 0 | 0 | 0 | 109.4 | F636 I844 L850 R851 I852 F886 | F636-I848 HydrophobicContact CE2-CD1 3.6Å; F636-I848 HydrophobicContact CZ-CD1 3.56Å; I844-I848 HydrophobicContact CG2-CD1 3.57Å; I844-I848 HydrophobicContact CG2-CG1 4.26Å; I844-I848 VanDerWaalsContact O-CB 3.27Å; I844-I848 WeakPolarHBondContact O-CB 3.3Å; I844-I848 VanDerWaalsContact O-CG1 3.22Å; I844-I848 WeakPolarHBondContact O-CG1 3.39Å; I844-I848 PolarHBondContact O-N 3.47Å; I848-L850 VanDerWaalsContact C-N 3.31Å; I848-L850 PolarHBondContact O-N 3.2Å; I848-R851 PolarHBondContact O-N 3.4Å; I848-I852 HydrophobicContact CG2-CD1 3.48Å; I848-I852 VanDerWaalsContact CG2-CD1 3.48Å; I848-I852 HydrophobicContact CG2-CG1 4.07Å; I848-I852 WeakPolarHBondContact O-CB 3.4Å; I848-I852 WeakPolarHBondContact O-CG1 3.08Å; I848-I852 PolarHBondContact O-N 2.76Å; I848-F886 HydrophobicContact CG2-CZ 4.23Å |
| 849 | Q | 50.5 | Low | 45.4 | Very low | 22 Ų | 22 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 175.1 | -75.4 | 170.9 | 0 | 0 | 0 | 111.7 | I845 I846 H853 S944 I948 | I845-Q849 HydrophobicContact CG2-CG 4.47Å; I845-Q849 VanDerWaalsContact CG2-NE2 3.32Å; I845-Q849 WeakPolarHBondContact O-CB 3.36Å; I845-Q849 WeakPolarHBondContact O-CG 3.46Å; I845-Q849 PolarHBondContact O-N 3.35Å; I846-Q849 PolarHBondContact O-N 2.82Å; Q849-H853 WeakPolarHBondContact O-CB 3.28Å; Q849-S944 VanDerWaalsContact NE2-CB 3.31Å; Q849-S944 PolarHBondContact NE2-OG 2.93Å; Q849-I948 HydrophobicContact CG-CD1 4.37Å; Q849-I948 HydrophobicContact CG-CG1 4.19Å |
| 850 | L | 45.7 | Very low | 43.8 | Very low | 54 Ų | 54 | 53.6 Ų | 53.6 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.9 | -33.1 | 177 | -73 | 170.2 | 0 | 0 | 0 | 112.5 | I846 F847 I848 H853 V854 | I846-L850 HydrophobicContact CG2-CD1 3.53Å; I846-L850 HydrophobicContact CG2-CG 4.12Å; I846-L850 VanDerWaalsContact O-CB 3.22Å; I846-L850 WeakPolarHBondContact O-CB 3.47Å; I846-L850 WeakPolarHBondContact O-CG 3.43Å; I846-L850 PolarHBondContact O-N 3.17Å; F847-L850 CarbonylContact O-C 3.52Å; F847-L850 PolarHBondContact O-N 2.79Å; I848-L850 VanDerWaalsContact C-N 3.31Å; I848-L850 PolarHBondContact O-N 3.2Å; L850-H853 CarbonylContact O-C 3.54Å; L850-H853 WeakPolarHBondContact O-CB 3.48Å; L850-V854 VanDerWaalsContact O-CG2 3.3Å; L850-V854 WeakPolarHBondContact O-CG2 3.36Å; L850-V854 PolarHBondContact O-N 2.87Å |
| 851 | R | 44.7 | Very low | 42.1 | Very low | 119 Ų | 119 | 60.6 Ų | 60.6 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -86 | -45.8 | -174.4 | -86.5 | -78.9 | -173.5 | 163.2 | 0.7 | 113.5 | F847 I848 H853 V854 T855 | F847-R851 HydrophobicContact CD1-CG 3.83Å; F847-R851 HydrophobicContact CE1-CG 3.51Å; F847-R851 HydrophobicContact CE2-CG 4.23Å; F847-R851 HydrophobicContact CG-CG 4.34Å; F847-R851 HydrophobicContact CZ-CG 3.73Å; F847-R851 WeakPolarHBondContact O-CA 3.3Å; F847-R851 WeakPolarHBondContact O-CB 3.37Å; F847-R851 WeakPolarHBondContact O-CG 3.36Å; F847-R851 PolarHBondContact O-N 2.95Å; I848-R851 PolarHBondContact O-N 3.4Å; R851-H853 PolarHBondContact O-N 3.43Å; R851-V854 PolarHBondContact O-N 2.67Å; R851-T855 PolarHBondContact O-N 2.95Å; R851-T855 PolarHBondContact O-OG1 2.71Å |
| 852 | I | 44.6 | Very low | 40.7 | Very low | 90 Ų | 90 | 67.3 Ų | 67.3 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -49 | -35.9 | 168.3 | -68.3 | 175.9 | 0 | 0 | 0 | 108.4 | I848 T855 A856 F886 | I848-I852 HydrophobicContact CG2-CD1 3.48Å; I848-I852 VanDerWaalsContact CG2-CD1 3.48Å; I848-I852 HydrophobicContact CG2-CG1 4.07Å; I848-I852 WeakPolarHBondContact O-CB 3.4Å; I848-I852 WeakPolarHBondContact O-CG1 3.08Å; I848-I852 PolarHBondContact O-N 2.76Å; I852-T855 PolarHBondContact O-OG1 3.47Å; I852-T855 VanDerWaalsContact O-OG1 3.1Å; I852-A856 PolarHBondContact O-N 3.17Å; I852-F886 HydrophobicContact CD1-CE1 4.1Å; I852-F886 HydrophobicContact CD1-CZ 4.06Å |
| 853 | H | 40.3 | Very low | 39.2 | Very low | 14 Ų | 14 | 73.5 Ų | 73.5 | 7% | 0.065 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.3 | -43 | 176.8 | -169.5 | 50.9 | 0 | 0 | 0 | 114.6 | Q849 L850 R851 T855 A856 I857 L951 L955 | Q849-H853 WeakPolarHBondContact O-CB 3.28Å; L850-H853 CarbonylContact O-C 3.54Å; L850-H853 WeakPolarHBondContact O-CB 3.48Å; R851-H853 PolarHBondContact O-N 3.43Å; H853-T855 PolarHBondContact O-N 2.99Å; H853-A856 PolarHBondContact O-N 3.37Å; H853-I857 WeakPolarHBondContact O-CG1 3.24Å; H853-I857 PolarHBondContact O-N 2.9Å; H853-L951 HydrophobicContact CB-CD2 4.16Å; H853-L951 WeakPolarHBondContact CD2-CD1 3.43Å; H853-L951 VanDerWaalsContact CD2-CD2 3.46Å; H853-L951 WeakPolarHBondContact CD2-CD2 3.47Å; H853-L951 WeakPolarHBondContact CD2-CG 3.43Å; H853-L951 PolarHBondContact CE1-O 3.13Å; H853-L951 WeakPolarHBondContact NE2-CD1 3.38Å; H853-L951 WeakPolarHBondContact NE2-CG 3.41Å; H853-L955 WeakPolarHBondContact CE1-CD2 3.41Å; H853-L955 WeakPolarHBondContact CE1-CG 3.46Å; H853-L955 WeakPolarHBondContact ND1-CD1 3.41Å; H853-L955 WeakPolarHBondContact ND1-CD2 3.49Å; H853-L955 VanDerWaalsContact ND1-CG 3.26Å; H853-L955 WeakPolarHBondContact ND1-CG 3.45Å |
| 854 | V | 35.2 | Very low | 37.8 | Very low | 61 Ų | 61 | 79.8 Ų | 79.8 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.1 | 168.1 | 0 | 0 | 0 | 0 | 112.6 | L850 R851 A856 I857 K858 | L850-V854 VanDerWaalsContact O-CG2 3.3Å; L850-V854 WeakPolarHBondContact O-CG2 3.36Å; L850-V854 PolarHBondContact O-N 2.87Å; R851-V854 PolarHBondContact O-N 2.67Å; V854-A856 VanDerWaalsContact C-N 3.25Å; V854-A856 PolarHBondContact O-N 3.19Å; V854-I857 PolarHBondContact O-N 3.39Å; V854-I857 VanDerWaalsContact O-N 3.11Å; V854-K858 PolarHBondContact O-N 3.43Å |
| 855 | T | 34.6 | Very low | 36.7 | Very low | 98 Ų | 98 | 83.2 Ų | 83.2 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.3 | -32.6 | 174.1 | 30.7 | 0 | 0 | 0 | 0 | 112 | R851 I852 H853 | R851-T855 PolarHBondContact O-N 2.95Å; R851-T855 PolarHBondContact O-OG1 2.71Å; I852-T855 PolarHBondContact O-OG1 3.47Å; I852-T855 VanDerWaalsContact O-OG1 3.1Å; H853-T855 PolarHBondContact O-N 2.99Å |
| 856 | A | 33.6 | Very low | 35.4 | Very low | 42 Ų | 42 | 90 Ų | 90 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.9 | -25.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I852 H853 V854 L955 | I852-A856 PolarHBondContact O-N 3.17Å; H853-A856 PolarHBondContact O-N 3.37Å; V854-A856 VanDerWaalsContact C-N 3.25Å; V854-A856 PolarHBondContact O-N 3.19Å; A856-L955 HydrophobicContact CB-CD1 3.51Å; A856-L955 HydrophobicContact CB-CD2 3.7Å; A856-L955 HydrophobicContact CB-CG 4.2Å |
| 857 | I | 30.4 | Very low | 34.4 | Very low | 67 Ų | 67 | 96.4 Ų | 96.4 | 34% | 0.344 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -78.4 | -33.5 | 177.5 | -66.9 | 169.7 | 0 | 0 | 0 | 112.4 | H853 V854 C859 L955 | H853-I857 WeakPolarHBondContact O-CG1 3.24Å; H853-I857 PolarHBondContact O-N 2.9Å; V854-I857 PolarHBondContact O-N 3.39Å; V854-I857 VanDerWaalsContact O-N 3.11Å; I857-C859 PolarHBondContact O-N 2.88Å; I857-L955 HydrophobicContact CB-CD2 4.41Å; I857-L955 HydrophobicContact CD1-CD2 4.07Å; I857-L955 HydrophobicContact CG1-CD2 3.27Å |
| 858 | K | 25.6 | Very low | 33.4 | Very low | 180 Ų | 180 | 99.2 Ų | 99.2 | 78% | 0.783 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -71 | -12.2 | -176.8 | -87.7 | -171.7 | 172.9 | -173.6 | 0 | 114.1 | V854 N860 | V854-K858 PolarHBondContact O-N 3.43Å; K858-N860 PolarHBondContact O-N 3.45Å; K858-N860 VanDerWaalsContact O-N 3.16Å |
| 859 | C | 29.6 | Very low | 32.7 | Very low | 45 Ų | 45 | 101.2 Ų | 101.2 | 30% | 0.304 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -78.9 | 89.7 | 162.2 | -66.9 | 0 | 0 | 0 | 0 | 109.8 | M594 I857 H959 | M594-C859 WeakPolarHBondContact CE-SG 3.48Å; I857-C859 PolarHBondContact O-N 2.88Å; C859-H959 PolarHBondContact O-CE1 3.45Å; C859-H959 PolarHBondContact O-ND1 3.47Å |
| 860 | N | 25.3 | Very low | 31.9 | Very low | 64 Ų | 64 | 104.1 Ų | 104.1 | 34% | 0.342 | 54% | 0.536 | S | S | . | . | trans | 129.4 | 87.7 | 157.2 | -72.9 | -0.2 | 0 | 0 | 0 | 114.1 | K858 M862 H959 | K858-N860 PolarHBondContact O-N 3.45Å; K858-N860 VanDerWaalsContact O-N 3.16Å; N860-M862 VanDerWaalsContact C-N 3.31Å; N860-H959 PolarHBondContact ND2-CE1 3.42Å; N860-H959 PolarHBondContact ND2-ND1 2.8Å | ||
| 861 | H | 23.6 | Very low | 31.6 | Very low | 201 Ų | 201 | 103 Ų | 103 | 93% | 0.931 | 53% | 0.53 | S | S | * | . | trans | -82.1 | 83.3 | 130.5 | -94 | -78.6 | 0 | 0 | 0 | 107.7 | ||||
| 862 | M | 26.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 98.6 Ų | 98.6 | 72% | 0.724 | 52% | 0.515 | S | S | * | . | trans | -137.2 | 137.5 | 162.9 | -82 | -152 | 78.2 | 0 | 0 | 110.9 | N860 | N860-M862 VanDerWaalsContact C-N 3.31Š| ||
| 863 | D | 23.7 | Very low | 31.1 | Very low | 131 Ų | 131 | 98.3 Ų | 98.3 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | trans | -50.8 | 157.8 | -164.9 | -79.3 | -56.5 | 0 | 0 | 0 | 119.6 | ||||
| 864 | K | 25.3 | Very low | 31.1 | Very low | 192 Ų | 192 | 97.8 Ų | 97.8 | 84% | 0.835 | 51% | 0.51 | S | S | * | . | trans | 36.9 | 96 | 145.7 | -70.2 | 174.2 | 178 | 169.6 | 0 | 116.2 | ||||
| 865 | C | 28.1 | Very low | 31.3 | Very low | 86 Ų | 86 | 96.8 Ų | 96.8 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | trans | -137.8 | 150.3 | 162.1 | -97.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 866 | N | 27.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 97.6 Ų | 97.6 | 78% | 0.775 | 50% | 0.501 | S | S | * | . | trans | -92.9 | 169.1 | -144.7 | -151.5 | -8.2 | 0 | 0 | 0 | 113.6 | ||||
| 867 | K | 28.7 | Very low | 32.1 | Very low | 157 Ų | 157 | 104.8 Ų | 104.8 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -58.6 | 140.2 | 179.6 | -66.6 | 169.3 | 174 | 177.1 | 0 | 112.3 | ||
| 868 | N | 28.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 103.7 Ų | 103.7 | 77% | 0.765 | 52% | 0.522 | S | S | * | . | trans | 132.2 | 33.4 | 145.6 | -63.1 | -27.7 | 0 | 0 | 0 | 121 | ||||
| 869 | S | 34.4 | Very low | 34.3 | Very low | 68 Ų | 68 | 95.2 Ų | 95.2 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | trans | -135.8 | 89.3 | 169.7 | 54.7 | 0 | 0 | 0 | 0 | 114 | Q806 L871 | Q806-S869 PolarHBondContact NE2-O 3.32Å; Q806-S869 VanDerWaalsContact NE2-O 3.13Å; Q806-S869 PolarHBondContact OE1-O 2.94Å; S869-L871 PolarHBondContact O-N 3.43Å | ||
| 870 | L | 33.6 | Very low | 36.1 | Very low | 83 Ų | 83 | 94.5 Ų | 94.5 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | trans | -60 | 12.1 | -179 | -158.3 | 92.2 | 0 | 0 | 0 | 116.3 | ||||
| 871 | L | 40.1 | Very low | 38.6 | Very low | 29 Ų | 29 | 91.8 Ų | 91.8 | 15% | 0.152 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -137.1 | 131.3 | -146.5 | -116 | 67.5 | 0 | 0 | 0 | 112.5 | Q806 S869 H873 S974 F975 | Q806-L871 PolarHBondContact NE2-O 3.2Å; Q806-L871 VanDerWaalsContact NE2-O 3.11Å; S869-L871 PolarHBondContact O-N 3.43Å; L871-H873 VanDerWaalsContact C-N 3.33Å; L871-H873 PolarHBondContact O-N 3.01Å; L871-S974 WeakPolarHBondContact CB-OG 3.45Å; L871-S974 WeakPolarHBondContact CD2-OG 3.34Å; L871-S974 WeakPolarHBondContact CG-OG 3.5Å; L871-F975 HydrophobicContact CD1-CD2 4.11Å; L871-F975 HydrophobicContact CD1-CE2 4.06Å; L871-F975 HydrophobicContact CG-CD2 4.33Å |
| 872 | L | 39.8 | Very low | 41.1 | Very low | 27 Ų | 27 | 83.6 Ų | 83.6 | 14% | 0.141 | 43% | 0.429 | C | S | . | . | trans | -67.3 | 90.5 | 175.2 | -145.9 | 133.4 | 0 | 0 | 0 | 107.8 | V810 V874 S953 S974 F978 | V810-L872 HydrophobicContact CB-CD1 4.44Å; V810-L872 HydrophobicContact CG2-CD1 3.6Å; V810-L872 HydrophobicContact CG2-CG 4.39Å; L872-V874 HydrophobicContact CD2-CG2 3.85Å; L872-V874 PolarHBondContact O-N 3.38Å; L872-S953 WeakPolarHBondContact CD2-OG 3.28Å; L872-S974 PolarHBondContact O-OG 3.26Å; L872-F978 HydrophobicContact CD2-CB 4.25Å; L872-F978 HydrophobicContact CD2-CD2 3.96Å; L872-F978 HydrophobicContact CD2-CG 4.36Å | ||
| 873 | H | 37.5 | Very low | 43.5 | Very low | 84 Ų | 84 | 78.5 Ų | 78.5 | 39% | 0.389 | 40% | 0.404 | S | S | . | . | trans | -86.5 | 101.9 | 173.9 | -97.6 | -93.4 | 0 | 0 | 0 | 108 | L871 P875 S974 R977 | L871-H873 VanDerWaalsContact C-N 3.33Å; L871-H873 PolarHBondContact O-N 3.01Å; H873-P875 WeakPolarHBondContact O-CD 3.25Å; H873-S974 WeakPolarHBondContact NE2-CB 3.33Å; H873-R977 PolarHBondContact CE1-NH1 3.5Å; H873-R977 PolarHBondContact ND1-NH1 2.86Å; H873-R977 VanDerWaalsContact ND1-NH1 3.11Å | ||
| 874 | V | 40.8 | Very low | 46.3 | Very low | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | trans | -89.4 | 111.2 | 159.1 | -169.9 | 0 | 0 | 0 | 0 | 106.2 | L872 C878 I879 I949 F978 A981 | L872-V874 HydrophobicContact CD2-CG2 3.85Å; L872-V874 PolarHBondContact O-N 3.38Å; V874-C878 HydrophobicContact CG1-CB 4.39Å; V874-I879 HydrophobicContact CG1-CD1 4.45Å; V874-I949 HydrophobicContact CG1-CG2 4.27Å; V874-I949 HydrophobicContact CG2-CG2 3.96Å; V874-F978 HydrophobicContact CG2-CD2 4.42Å; V874-A981 HydrophobicContact CB-CB 4.07Å; V874-A981 HydrophobicContact CG1-CB 3.97Å; V874-A981 HydrophobicContact CG2-CB 4.48Å | ||
| 875 | P | 40.1 | Very low | 49.2 | Very low | 39 Ų | 39 | 63.1 Ų | 63.1 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | trans | -63.5 | 138.9 | 168.7 | -8.3 | 19.5 | 0 | 0 | 0 | 109 | H873 K877 C878 Q956 | H873-P875 WeakPolarHBondContact O-CD 3.25Å; P875-K877 PolarHBondContact O-N 3.24Å; P875-C878 VanDerWaalsContact CD-SG 3.51Å; P875-C878 VanDerWaalsContact CG-SG 3.52Å; P875-C878 WeakPolarHBondContact O-CB 3.42Å; P875-C878 PolarHBondContact O-N 3.43Å; P875-Q956 VanDerWaalsContact CD-OE1 3.26Å | ||
| 876 | Q | 41.4 | Very low | 51.8 | Low | 115 Ų | 115 | 59.6 Ų | 59.6 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.3 | 174.8 | -147.7 | 171.2 | -11.4 | 0 | 0 | 112.3 | L984 | Q876-L984 HydrophobicContact CG-CD2 3.88Š|
| 877 | K | 43.2 | Very low | 54.4 | Low | 193 Ų | 193 | 52.9 Ų | 52.9 | 84% | 0.839 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28 | 171.6 | -70.1 | -168.6 | 175.2 | -168.7 | 0 | 113.8 | P875 I879 | P875-K877 PolarHBondContact O-N 3.24Å; K877-I879 VanDerWaalsContact C-N 3.27Å; K877-I879 PolarHBondContact O-N 2.76Å |
| 878 | C | 42.6 | Very low | 57.3 | Low | 44 Ų | 44 | 45.4 Ų | 45.4 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.3 | -177.9 | -68.6 | 0 | 0 | 0 | 0 | 113 | V874 P875 S880 | V874-C878 HydrophobicContact CG1-CB 4.39Å; P875-C878 VanDerWaalsContact CD-SG 3.51Å; P875-C878 VanDerWaalsContact CG-SG 3.52Å; P875-C878 WeakPolarHBondContact O-CB 3.42Å; P875-C878 PolarHBondContact O-N 3.43Å; C878-S880 PolarHBondContact O-N 3.47Å |
| 879 | I | 59.5 | Low | 60.2 | Low | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -93 | 89.5 | 168.6 | -58.1 | 163.3 | 0 | 0 | 0 | 104.7 | V874 K877 A981 L984 F985 R988 | V874-I879 HydrophobicContact CG1-CD1 4.45Å; K877-I879 VanDerWaalsContact C-N 3.27Å; K877-I879 PolarHBondContact O-N 2.76Å; I879-A981 HydrophobicContact CD1-CB 3.26Å; I879-A981 WeakPolarHBondContact CD1-O 3.42Å; I879-L984 HydrophobicContact CB-CD2 4.5Å; I879-L984 HydrophobicContact CG2-CD2 4.48Å; I879-L984 HydrophobicContact CG2-CG 4.36Å; I879-F985 HydrophobicContact CD1-CB 4.41Å; I879-F985 HydrophobicContact CG2-CB 3.91Å; I879-F985 HydrophobicContact CG2-CD2 3.76Å; I879-F985 HydrophobicContact CG2-CG 4.13Å; I879-R988 PolarHBondContact O-NH1 3.44Å |
| 880 | S | 68.5 | Low | 62.6 | Low | 30 Ų | 30 | 35.7 Ų | 35.7 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | trans | -82.8 | 160.1 | 169.7 | 65 | 0 | 0 | 0 | 0 | 109.6 | C878 I882 L883 | C878-S880 PolarHBondContact O-N 3.47Å; S880-I882 PolarHBondContact O-N 2.85Å; S880-L883 PolarHBondContact O-N 3.44Å; S880-L883 PolarHBondContact OG-N 3.28Å; S880-L883 VanDerWaalsContact OG-N 3.12Å | ||
| 881 | W | 77.8 | Confident | 65.3 | Low | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -34.9 | 167.2 | -82.4 | 102.9 | 0 | 0 | 0 | 110.5 | L473 E477 N548 F552 L883 A884 I885 R988 I991 | L473-W881 HydrophobicContact CD1-CH2 3.52Å; L473-W881 HydrophobicContact CD1-CZ2 3.48Å; L473-W881 VanDerWaalsContact CD1-CZ2 3.48Å; E477-W881 PolarHBondContact OE1-NE1 2.86Å; N548-W881 HydrophobicContact CB-CB 3.81Å; N548-W881 PolarHBondContact OD1-N 3.45Å; N548-W881 VanDerWaalsContact OD1-N 3.16Å; F552-W881 HydrophobicContact CE1-CD2 4.06Å; F552-W881 AromaticContact CE1-CE3 3.84Å; F552-W881 HydrophobicContact CE1-CE3 3.84Å; F552-W881 HydrophobicContact CE1-CG 4.49Å; F552-W881 HydrophobicContact CE1-CZ3 4.15Å; F552-W881 HydrophobicContact CE2-CB 4.12Å; F552-W881 HydrophobicContact CE2-CD2 4.36Å; F552-W881 HydrophobicContact CE2-CG 4.02Å; F552-W881 HydrophobicContact CZ-CB 3.98Å; F552-W881 AromaticContact CZ-CD1 3.99Å; F552-W881 AromaticContact CZ-CD2 3.46Å; F552-W881 HydrophobicContact CZ-CD2 3.46Å; F552-W881 VanDerWaalsContact CZ-CD2 3.46Å; F552-W881 AromaticContact CZ-CE2 3.84Å; F552-W881 AromaticContact CZ-CE3 3.75Å; F552-W881 HydrophobicContact CZ-CE3 3.75Å; F552-W881 AromaticContact CZ-CG 3.59Å; F552-W881 HydrophobicContact CZ-CG 3.59Å; F552-W881 HydrophobicContact CZ-CZ2 4.41Å; F552-W881 HydrophobicContact CZ-CZ3 4.31Å; W881-L883 VanDerWaalsContact C-N 3.31Å; W881-L883 PolarHBondContact O-N 2.97Å; W881-A884 PolarHBondContact O-N 3.41Å; W881-A884 VanDerWaalsContact O-N 3.11Å; W881-I885 HydrophobicContact CB-CD1 4.47Å; W881-I885 WeakPolarHBondContact O-CB 3.43Å; W881-I885 VanDerWaalsContact O-CG1 3.27Å; W881-I885 WeakPolarHBondContact O-CG1 3.05Å; W881-I885 PolarHBondContact O-N 3.25Å; W881-R988 HydrophobicContact CD2-CB 4.49Å; W881-R988 HydrophobicContact CD2-CG 3.95Å; W881-R988 HydrophobicContact CE3-CB 3.96Å; W881-R988 HydrophobicContact CE3-CG 3.85Å; W881-R988 HydrophobicContact CH2-CB 4.27Å; W881-R988 HydrophobicContact CH2-CG 3.75Å; W881-R988 HydrophobicContact CZ2-CG 3.81Å; W881-R988 HydrophobicContact CZ3-CB 3.84Å; W881-R988 HydrophobicContact CZ3-CG 3.76Å; W881-I991 HydrophobicContact CH2-CB 4.23Å; W881-I991 HydrophobicContact CH2-CD1 3.79Å; W881-I991 HydrophobicContact CH2-CG2 3.87Å; W881-I991 HydrophobicContact CZ3-CB 4.24Å; W881-I991 HydrophobicContact CZ3-CG2 3.88Å |
| 882 | I | 75.6 | Confident | 67.7 | Low | 28 Ų | 28 | 31.3 Ų | 31.3 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58 | -42.5 | 179 | -56.2 | 164.5 | 0 | 0 | 0 | 111.8 | N548 L582 F586 S880 A884 I885 F886 | N548-I882 HydrophobicContact CB-CG1 4.13Å; N548-I882 WeakPolarHBondContact OD1-CG1 3.35Å; N548-I882 PolarHBondContact OD1-N 2.87Å; L582-I882 HydrophobicContact CD1-CG2 3.63Å; L582-I882 HydrophobicContact CD2-CG2 3.86Å; L582-I882 HydrophobicContact CG-CG2 4.07Å; F586-I882 HydrophobicContact CE1-CG2 4.1Å; F586-I882 HydrophobicContact CE2-CG2 3.46Å; F586-I882 VanDerWaalsContact CE2-CG2 3.46Å; F586-I882 HydrophobicContact CZ-CB 3.92Å; F586-I882 HydrophobicContact CZ-CG2 3.15Å; S880-I882 PolarHBondContact O-N 2.85Å; I882-A884 PolarHBondContact O-N 3.3Å; I882-I885 PolarHBondContact O-N 3.44Å; I882-F886 WeakPolarHBondContact O-CB 3.11Å; I882-F886 PolarHBondContact O-N 3.13Å |
| 883 | L | 76.2 | Confident | 69.9 | Low | 41 Ų | 41 | 30 Ų | 30 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.6 | -178.3 | 63.8 | 0 | 0 | 0 | 112.1 | S880 W881 I885 F886 L887 I948 F985 | S880-L883 PolarHBondContact O-N 3.44Å; S880-L883 PolarHBondContact OG-N 3.28Å; S880-L883 VanDerWaalsContact OG-N 3.12Å; W881-L883 VanDerWaalsContact C-N 3.31Å; W881-L883 PolarHBondContact O-N 2.97Å; L883-I885 VanDerWaalsContact C-N 3.35Å; L883-F886 PolarHBondContact O-N 3.22Å; L883-L887 PolarHBondContact O-N 3.41Å; L883-I948 HydrophobicContact CD2-CG2 4.36Å; L883-F985 HydrophobicContact CB-CE2 4.41Å; L883-F985 HydrophobicContact CD2-CE2 4.09Å; L883-F985 HydrophobicContact CD2-CZ 3.82Å; L883-F985 HydrophobicContact CG-CE2 3.92Å; L883-F985 HydrophobicContact CG-CZ 3.8Å |
| 884 | A | 82.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W881 I882 L887 C888 F985 R988 | W881-A884 PolarHBondContact O-N 3.41Å; W881-A884 VanDerWaalsContact O-N 3.11Å; I882-A884 PolarHBondContact O-N 3.3Å; A884-L887 PolarHBondContact O-N 2.63Å; A884-C888 WeakPolarHBondContact O-CB 3.49Å; A884-C888 PolarHBondContact O-N 3.39Å; A884-F985 HydrophobicContact CB-CD2 4.05Å; A884-F985 HydrophobicContact CB-CE2 3.92Å; A884-R988 HydrophobicContact CB-CB 3.72Å |
| 885 | I | 85.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -42.6 | 176.5 | -66.6 | 169.7 | 0 | 0 | 0 | 110.6 | F552 L555 W881 I882 L883 L887 C888 L889 | F552-I885 HydrophobicContact CD1-CD1 4.04Å; F552-I885 HydrophobicContact CE1-CD1 4.31Å; F552-I885 HydrophobicContact CG-CD1 4.34Å; L555-I885 HydrophobicContact CB-CG2 4.12Å; L555-I885 HydrophobicContact CD2-CG1 4.39Å; W881-I885 HydrophobicContact CB-CD1 4.47Å; W881-I885 WeakPolarHBondContact O-CB 3.43Å; W881-I885 VanDerWaalsContact O-CG1 3.27Å; W881-I885 WeakPolarHBondContact O-CG1 3.05Å; W881-I885 PolarHBondContact O-N 3.25Å; I882-I885 PolarHBondContact O-N 3.44Å; L883-I885 VanDerWaalsContact C-N 3.35Å; I885-L887 VanDerWaalsContact C-N 3.3Å; I885-L887 PolarHBondContact O-N 3.44Å; I885-C888 WeakPolarHBondContact O-CB 3.35Å; I885-C888 PolarHBondContact O-N 3.06Å; I885-C888 VanDerWaalsContact O-N 3.1Å; I885-L889 HydrophobicContact CG2-CD1 4.34Å; I885-L889 HydrophobicContact CG2-CG 4.4Å; I885-L889 WeakPolarHBondContact O-CG 2.97Å; I885-L889 PolarHBondContact O-N 3.42Å |
| 886 | F | 83.3 | Confident | 76.6 | Confident | 12 Ų | 12 | 25 Ų | 25 | 5% | 0.053 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.8 | -45.9 | 173.9 | 176.1 | -104.5 | 0 | 0 | 0 | 111.6 | I579 L582 I583 I848 I852 I882 L883 L889 L890 | I579-F886 HydrophobicContact CG2-CE2 3.96Å; L582-F886 HydrophobicContact CD2-CB 3.58Å; L582-F886 HydrophobicContact CD2-CD2 3.68Å; L582-F886 HydrophobicContact CD2-CG 4.07Å; I583-F886 HydrophobicContact CD1-CE2 4.17Å; I583-F886 HydrophobicContact CG1-CE2 3.9Å; I848-F886 HydrophobicContact CG2-CZ 4.23Å; I852-F886 HydrophobicContact CD1-CE1 4.1Å; I852-F886 HydrophobicContact CD1-CZ 4.06Å; I882-F886 WeakPolarHBondContact O-CB 3.11Å; I882-F886 PolarHBondContact O-N 3.13Å; L883-F886 PolarHBondContact O-N 3.22Å; F886-L889 PolarHBondContact O-N 3.11Å; F886-L890 WeakPolarHBondContact O-CB 3.34Å; F886-L890 PolarHBondContact O-N 3.07Å |
| 887 | L | 82.7 | Confident | 78.4 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.5 | -35.7 | 175.7 | -71.2 | -172.3 | 0 | 0 | 0 | 112.8 | L883 A884 I885 L889 L890 D891 I941 L945 I948 F985 F989 | L883-L887 PolarHBondContact O-N 3.41Å; A884-L887 PolarHBondContact O-N 2.63Å; I885-L887 VanDerWaalsContact C-N 3.3Å; I885-L887 PolarHBondContact O-N 3.44Å; L887-L889 VanDerWaalsContact C-N 3.33Å; L887-L890 HydrophobicContact CD2-CD2 4.29Å; L887-L890 PolarHBondContact O-N 3.2Å; L887-D891 WeakPolarHBondContact O-CB 3.45Å; L887-D891 PolarHBondContact O-N 2.87Å; L887-I941 HydrophobicContact CD2-CG2 4.42Å; L887-L945 HydrophobicContact CD1-CD1 3.66Å; L887-L945 HydrophobicContact CD1-CG 4.01Å; L887-I948 HydrophobicContact CD1-CD1 3.66Å; L887-I948 HydrophobicContact CD2-CD1 3.8Å; L887-I948 HydrophobicContact CG-CD1 4.36Å; L887-F985 HydrophobicContact CD1-CE1 3.71Å; L887-F985 HydrophobicContact CD1-CE2 4.12Å; L887-F985 HydrophobicContact CD1-CZ 3.22Å; L887-F985 HydrophobicContact CG-CZ 4.23Å; L887-F989 HydrophobicContact CB-CD2 4.11Å; L887-F989 HydrophobicContact CB-CE2 4.03Å |
| 888 | C | 90.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 173.6 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | A884 I885 D891 N892 F989 S992 | A884-C888 WeakPolarHBondContact O-CB 3.49Å; A884-C888 PolarHBondContact O-N 3.39Å; I885-C888 WeakPolarHBondContact O-CB 3.35Å; I885-C888 PolarHBondContact O-N 3.06Å; I885-C888 VanDerWaalsContact O-N 3.1Å; C888-D891 WeakPolarHBondContact O-CB 3.4Å; C888-D891 PolarHBondContact O-N 2.99Å; C888-N892 PolarHBondContact O-N 3.34Å; C888-F989 HydrophobicContact CB-CE2 4.49Å; C888-S992 VanDerWaalsContact SG-CB 3.59Å |
| 889 | L | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.7 | -41.3 | 174.4 | -64.9 | 176.2 | 0 | 0 | 0 | 111.3 | L558 T575 L578 I579 I885 F886 L887 D891 N892 L893 | L558-L889 HydrophobicContact CD2-CD2 3.45Å; L558-L889 VanDerWaalsContact CD2-CD2 3.45Å; T575-L889 HydrophobicContact CG2-CB 4.39Å; T575-L889 VanDerWaalsContact CG2-O 3.22Å; T575-L889 WeakPolarHBondContact CG2-O 3.26Å; L578-L889 HydrophobicContact CB-CD1 4.31Å; I579-L889 HydrophobicContact CD1-CB 3.98Å; I579-L889 HydrophobicContact CG1-CB 3.62Å; I579-L889 HydrophobicContact CG1-CD1 4.22Å; I885-L889 HydrophobicContact CG2-CD1 4.34Å; I885-L889 HydrophobicContact CG2-CG 4.4Å; I885-L889 WeakPolarHBondContact O-CG 2.97Å; I885-L889 PolarHBondContact O-N 3.42Å; F886-L889 PolarHBondContact O-N 3.11Å; L887-L889 VanDerWaalsContact C-N 3.33Å; L889-D891 VanDerWaalsContact C-N 3.31Å; L889-N892 PolarHBondContact O-N 2.91Å; L889-L893 WeakPolarHBondContact O-CB 3.34Å; L889-L893 PolarHBondContact O-N 2.87Å |
| 890 | L | 84.7 | Confident | 83 | Confident | 7 Ų | 7 | 9.6 Ų | 9.6 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.3 | -168.7 | 69.1 | 0 | 0 | 0 | 111.4 | I845 F886 L887 L893 S894 I941 | I845-L890 HydrophobicContact CG1-CD2 4.4Å; F886-L890 WeakPolarHBondContact O-CB 3.34Å; F886-L890 PolarHBondContact O-N 3.07Å; L887-L890 HydrophobicContact CD2-CD2 4.29Å; L887-L890 PolarHBondContact O-N 3.2Å; L890-L893 PolarHBondContact O-N 3.43Å; L890-S894 VanDerWaalsContact O-CB 3.31Å; L890-S894 WeakPolarHBondContact O-CB 3.29Å; L890-S894 PolarHBondContact O-N 3.33Å; L890-I941 VanDerWaalsContact C-CD1 3.41Å; L890-I941 HydrophobicContact CB-CD1 4.12Å; L890-I941 HydrophobicContact CD2-CD1 4Å; L890-I941 HydrophobicContact CD2-CG1 4.45Å; L890-I941 HydrophobicContact CG-CD1 3.62Å; L890-I941 WeakPolarHBondContact O-CD1 3.35Å |
| 891 | D | 89.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -56.5 | -52.5 | 171.3 | 174 | -81.1 | 0 | 0 | 0 | 110.3 | L887 C888 L889 L893 S894 F895 P938 I941 F989 K993 | L887-D891 WeakPolarHBondContact O-CB 3.45Å; L887-D891 PolarHBondContact O-N 2.87Å; C888-D891 WeakPolarHBondContact O-CB 3.4Å; C888-D891 PolarHBondContact O-N 2.99Å; L889-D891 VanDerWaalsContact C-N 3.31Å; D891-L893 VanDerWaalsContact C-N 3.33Å; D891-L893 PolarHBondContact O-N 3.34Å; D891-S894 PolarHBondContact O-N 3.01Å; D891-S894 VanDerWaalsContact O-N 3.15Å; D891-S894 PolarHBondContact O-OG 2.94Å; D891-F895 PolarHBondContact O-N 3.14Å; D891-P938 VanDerWaalsContact OD2-CA 3.28Å; D891-P938 WeakPolarHBondContact OD2-CA 3.2Å; D891-P938 VanDerWaalsContact OD2-CB 3.26Å; D891-P938 WeakPolarHBondContact OD2-CB 3.42Å; D891-I941 HydrophobicContact CB-CG2 4.22Å; D891-F989 HydrophobicContact CB-CE2 4.26Å; D891-F989 HydrophobicContact CB-CZ 3.97Å; D891-K993 WeakPolarHBondContact OD1-CE 3.45Å; D891-K993 IonicContact OD1-NZ 3.69Å; D891-K993 PolarHBondContact OD1-NZ 2.89Å |
| 892 | N | 90.6 | Very high | 84.4 | Confident | 19 Ų | 19 | 8.7 Ų | 8.7 | 10% | 0.102 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.1 | -157.4 | 50.8 | 0 | 0 | 0 | 112.1 | E571 T575 C888 L889 S894 F895 F896 | E571-N892 PolarHBondContact OE1-ND2 3.3Å; E571-N892 PolarHBondContact OE1-OD1 3.4Å; T575-N892 HydrophobicContact CG2-CB 4.12Å; T575-N892 PolarHBondContact OG1-ND2 2.98Å; T575-N892 VanDerWaalsContact OG1-ND2 3.11Å; C888-N892 PolarHBondContact O-N 3.34Å; L889-N892 PolarHBondContact O-N 2.91Å; N892-S894 VanDerWaalsContact C-N 3.34Å; N892-S894 PolarHBondContact O-N 3.28Å; N892-F895 WeakPolarHBondContact O-CB 3.43Å; N892-F895 PolarHBondContact O-N 3.39Å; N892-F896 WeakPolarHBondContact O-CD2 3.28Å; N892-F896 WeakPolarHBondContact O-CE2 3.43Å |
| 893 | L | 87.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 178.2 | -173.2 | 68.1 | 0 | 0 | 0 | 111.8 | F572 T575 L576 I579 I640 L889 L890 D891 F895 F896 I897 | F572-L893 HydrophobicContact CD2-CD1 3.48Å; F572-L893 VanDerWaalsContact CD2-CD1 3.48Å; F572-L893 HydrophobicContact CE2-CD1 3.52Å; F572-L893 HydrophobicContact CG-CD1 4.38Å; F572-L893 HydrophobicContact CZ-CD1 4.42Å; T575-L893 HydrophobicContact CG2-CB 3.9Å; T575-L893 HydrophobicContact CG2-CD1 4.49Å; L576-L893 HydrophobicContact CB-CD1 4.12Å; L576-L893 HydrophobicContact CD1-CD2 4.08Å; I579-L893 HydrophobicContact CD1-CB 3.91Å; I579-L893 HydrophobicContact CD1-CD2 3.68Å; I579-L893 HydrophobicContact CD1-CG 4.33Å; I640-L893 HydrophobicContact CD1-CD2 4.24Å; L889-L893 WeakPolarHBondContact O-CB 3.34Å; L889-L893 PolarHBondContact O-N 2.87Å; L890-L893 PolarHBondContact O-N 3.43Å; D891-L893 VanDerWaalsContact C-N 3.33Å; D891-L893 PolarHBondContact O-N 3.34Å; L893-F895 VanDerWaalsContact C-N 3.26Å; L893-F895 PolarHBondContact O-N 3.22Å; L893-F896 PolarHBondContact O-N 2.92Å; L893-F896 VanDerWaalsContact O-N 3.14Å; L893-I897 HydrophobicContact CD1-CD1 4.43Å; L893-I897 HydrophobicContact CD2-CD1 3.81Å; L893-I897 HydrophobicContact CG-CD1 3.61Å; L893-I897 HydrophobicContact CG-CG1 4.1Å; L893-I897 WeakPolarHBondContact O-CG1 3.42Å; L893-I897 PolarHBondContact O-N 3.31Å; L893-I897 VanDerWaalsContact O-N 3.09Å |
| 894 | S | 83.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.9 | -28.2 | -175.8 | 73.9 | 0 | 0 | 0 | 0 | 113.8 | L890 D891 N892 F896 I897 T898 P938 I941 | L890-S894 VanDerWaalsContact O-CB 3.31Å; L890-S894 WeakPolarHBondContact O-CB 3.29Å; L890-S894 PolarHBondContact O-N 3.33Å; D891-S894 PolarHBondContact O-N 3.01Å; D891-S894 VanDerWaalsContact O-N 3.15Å; D891-S894 PolarHBondContact O-OG 2.94Å; N892-S894 VanDerWaalsContact C-N 3.34Å; N892-S894 PolarHBondContact O-N 3.28Å; S894-F896 VanDerWaalsContact C-N 3.32Å; S894-F896 PolarHBondContact O-N 3.37Å; S894-I897 PolarHBondContact O-N 3.41Å; S894-T898 WeakPolarHBondContact O-CG2 3.43Å; S894-T898 PolarHBondContact O-N 3.33Å; S894-T898 VanDerWaalsContact O-N 3.09Å; S894-T898 PolarHBondContact O-OG1 3.11Å; S894-P938 VanDerWaalsContact OG-CD 3.24Å; S894-P938 WeakPolarHBondContact OG-CD 3Å; S894-P938 VanDerWaalsContact OG-N 3.08Å; S894-I941 VanDerWaalsContact CB-CD1 3.45Å; S894-I941 WeakPolarHBondContact OG-CD1 3.38Å |
| 895 | F | 88.7 | Confident | 84.4 | Confident | 14 Ų | 14 | 9.2 Ų | 9.2 | 6% | 0.061 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57 | -47.9 | 171.6 | 175.6 | -99.2 | 0 | 0 | 0 | 110.7 | D891 N892 L893 T898 H900 P902 L934 Y935 P938 F1023 | D891-F895 PolarHBondContact O-N 3.14Å; N892-F895 WeakPolarHBondContact O-CB 3.43Å; N892-F895 PolarHBondContact O-N 3.39Å; L893-F895 VanDerWaalsContact C-N 3.26Å; L893-F895 PolarHBondContact O-N 3.22Å; F895-T898 PolarHBondContact O-OG1 2.82Å; F895-H900 HydrophobicContact CD1-CB 4.38Å; F895-H900 HydrophobicContact CD2-CB 4.02Å; F895-H900 HydrophobicContact CE1-CB 3.97Å; F895-H900 HydrophobicContact CE2-CB 3.57Å; F895-H900 HydrophobicContact CG-CB 4.4Å; F895-H900 HydrophobicContact CZ-CB 3.53Å; F895-H900 WeakPolarHBondContact O-CB 3.42Å; F895-H900 PolarHBondContact O-N 3.41Å; F895-P902 HydrophobicContact CE1-CB 4.38Å; F895-L934 WeakPolarHBondContact CD2-O 3.35Å; F895-L934 HydrophobicContact CE2-CD1 3.66Å; F895-L934 HydrophobicContact CE2-CG 4.09Å; F895-L934 HydrophobicContact CZ-CD1 4.1Å; F895-Y935 HydrophobicContact CD2-CD1 4.47Å; F895-Y935 HydrophobicContact CD2-CE1 4.43Å; F895-Y935 HydrophobicContact CE2-CE1 4.47Å; F895-P938 HydrophobicContact CB-CG 4.11Å; F895-F1023 HydrophobicContact CE1-CD1 4.5Å; F895-F1023 AromaticContact CE2-CD1 3.9Å; F895-F1023 HydrophobicContact CE2-CD1 3.9Å; F895-F1023 HydrophobicContact CE2-CE1 4.35Å; F895-F1023 AromaticContact CZ-CD1 3.5Å; F895-F1023 HydrophobicContact CZ-CD1 3.5Å; F895-F1023 VanDerWaalsContact CZ-CD1 3.5Å; F895-F1023 AromaticContact CZ-CE1 3.85Å; F895-F1023 HydrophobicContact CZ-CE1 3.85Å |
| 896 | F | 86 | Confident | 84 | Confident | 5 Ų | 5 | 10.5 Ų | 10.5 | 2% | 0.022 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -71.4 | -39.3 | 178.2 | -61 | -75.3 | 0 | 0 | 0 | 113.5 | E571 F572 N892 L893 S894 T898 G899 | E571-F896 HydrophobicContact CB-CE2 4.41Å; E571-F896 HydrophobicContact CB-CZ 3.96Å; E571-F896 HydrophobicContact CG-CE2 3.96Å; E571-F896 HydrophobicContact CG-CZ 3.86Å; E571-F896 WeakPolarHBondContact OE2-CZ 3.37Å; F572-F896 HydrophobicContact CB-CB 4.17Å; F572-F896 HydrophobicContact CB-CD1 4.29Å; F572-F896 HydrophobicContact CB-CD2 4.21Å; F572-F896 HydrophobicContact CB-CG 3.96Å; F572-F896 HydrophobicContact CD2-CB 3.7Å; F572-F896 HydrophobicContact CD2-CG 4.33Å; F572-F896 HydrophobicContact CG-CB 4.36Å; N892-F896 WeakPolarHBondContact O-CD2 3.28Å; N892-F896 WeakPolarHBondContact O-CE2 3.43Å; L893-F896 PolarHBondContact O-N 2.92Å; L893-F896 VanDerWaalsContact O-N 3.14Å; S894-F896 VanDerWaalsContact C-N 3.32Å; S894-F896 PolarHBondContact O-N 3.37Å; F896-T898 PolarHBondContact O-N 3.14Å; F896-G899 PolarHBondContact O-N 3.36Å |
| 897 | I | 78.9 | Confident | 84 | Confident | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.8 | -24 | -177.9 | -52.2 | 166 | 0 | 0 | 0 | 111.3 | F572 I640 F643 L841 L893 S894 G899 | F572-I897 HydrophobicContact CE2-CG1 4.07Å; I640-I897 HydrophobicContact CD1-CD1 3.98Å; I640-I897 HydrophobicContact CG1-CD1 4.44Å; I640-I897 HydrophobicContact CG2-CD1 3.79Å; I640-I897 HydrophobicContact CG2-CG1 3.67Å; I640-I897 HydrophobicContact CG2-CG2 4.48Å; F643-I897 HydrophobicContact CB-CG2 3.9Å; F643-I897 HydrophobicContact CG-CG2 4.3Å; L841-I897 HydrophobicContact CB-CG2 4.4Å; L841-I897 HydrophobicContact CD1-CB 3.4Å; L841-I897 VanDerWaalsContact CD1-CB 3.4Å; L841-I897 HydrophobicContact CD1-CG2 3.45Å; L841-I897 VanDerWaalsContact CD1-CG2 3.45Å; L841-I897 HydrophobicContact CD2-CB 4.21Å; L841-I897 HydrophobicContact CD2-CD1 4.29Å; L841-I897 HydrophobicContact CD2-CG2 4.38Å; L841-I897 HydrophobicContact CG-CB 3.66Å; L841-I897 HydrophobicContact CG-CD1 4.4Å; L841-I897 HydrophobicContact CG-CG2 3.42Å; L841-I897 VanDerWaalsContact CG-CG2 3.42Å; L893-I897 HydrophobicContact CD1-CD1 4.43Å; L893-I897 HydrophobicContact CD2-CD1 3.81Å; L893-I897 HydrophobicContact CG-CD1 3.61Å; L893-I897 HydrophobicContact CG-CG1 4.1Å; L893-I897 WeakPolarHBondContact O-CG1 3.42Å; L893-I897 PolarHBondContact O-N 3.31Å; L893-I897 VanDerWaalsContact O-N 3.09Å; S894-I897 PolarHBondContact O-N 3.41Å; I897-G899 PolarHBondContact O-N 3.21Å |
| 898 | T | 78.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 12.3 Ų | 12.3 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 5.4 | 173.3 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | I838 L841 S894 F895 F896 H900 S936 | I838-T898 HydrophobicContact CG2-CG2 3.93Å; L841-T898 HydrophobicContact CD1-CG2 3.27Å; L841-T898 VanDerWaalsContact CD1-N 3.33Å; S894-T898 WeakPolarHBondContact O-CG2 3.43Å; S894-T898 PolarHBondContact O-N 3.33Å; S894-T898 VanDerWaalsContact O-N 3.09Å; S894-T898 PolarHBondContact O-OG1 3.11Å; F895-T898 PolarHBondContact O-OG1 2.82Å; F896-T898 PolarHBondContact O-N 3.14Å; T898-H900 WeakPolarHBondContact CB-ND1 3.37Å; T898-H900 PolarHBondContact O-CE1 3.5Å; T898-H900 PolarHBondContact O-ND1 2.6Å; T898-H900 PolarHBondContact OG1-CE1 3.38Å; T898-H900 PolarHBondContact OG1-ND1 3.16Å; T898-S936 WeakPolarHBondContact CG2-OG 3.26Å |
| 899 | G | 78.1 | Confident | 83.3 | Confident | 19 Ų | 19 | 18.3 Ų | 18.3 | 20% | 0.196 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 9.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I645 F896 I897 | I645-G899 WeakPolarHBondContact CD1-O 3.49Å; F896-G899 PolarHBondContact O-N 3.36Å; I897-G899 PolarHBondContact O-N 3.21Å |
| 900 | H | 85.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | trans | -94.9 | 151.1 | -177 | -55 | 96.8 | 0 | 0 | 0 | 112.5 | F895 T898 H933 L934 | F895-H900 HydrophobicContact CD1-CB 4.38Å; F895-H900 HydrophobicContact CD2-CB 4.02Å; F895-H900 HydrophobicContact CE1-CB 3.97Å; F895-H900 HydrophobicContact CE2-CB 3.57Å; F895-H900 HydrophobicContact CG-CB 4.4Å; F895-H900 HydrophobicContact CZ-CB 3.53Å; F895-H900 WeakPolarHBondContact O-CB 3.42Å; F895-H900 PolarHBondContact O-N 3.41Å; T898-H900 WeakPolarHBondContact CB-ND1 3.37Å; T898-H900 PolarHBondContact O-CE1 3.5Å; T898-H900 PolarHBondContact O-ND1 2.6Å; T898-H900 PolarHBondContact OG1-CE1 3.38Å; T898-H900 PolarHBondContact OG1-ND1 3.16Å; H900-H933 AromaticContact CE1-CE1 3.97Å; H900-H933 AromaticContact CE1-ND1 3.54Å; H900-H933 PolarHBondContact CE1-O 3.42Å; H900-H933 AromaticContact NE2-CE1 3.33Å; H900-H933 PolarHBondContact NE2-CE1 3.14Å; H900-H933 VanDerWaalsContact NE2-CE1 3.33Å; H900-H933 AromaticContact NE2-ND1 2.83Å; H900-H933 PolarHBondContact NE2-ND1 2.94Å; H900-H933 PolarHBondContact NE2-O 3.12Å; H900-L934 HydrophobicContact CB-CD1 3.92Å; H900-L934 VanDerWaalsContact CD2-CD1 3.48Å; H900-L934 WeakPolarHBondContact CD2-CD1 3.33Å | ||
| 901 | Q | 85.7 | Confident | 82.4 | Confident | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.075 | 12% | 0.115 | C | C | . | . | trans | -129.2 | 148.5 | 173 | -66.4 | -63.3 | -22.3 | 0 | 0 | 108.9 | I645 R647 T903 F1023 | I645-Q901 PolarHBondContact O-NE2 2.8Å; R647-Q901 HydrophobicContact CG-CB 4.5Å; R647-Q901 HydrophobicContact CG-CG 4.1Å; R647-Q901 VanDerWaalsContact CG-OE1 3.25Å; Q901-T903 PolarHBondContact O-N 3.36Å; Q901-F1023 WeakPolarHBondContact O-CE1 3.39Å | ||
| 902 | P | 89 | Confident | 82 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -80.7 | 61.5 | 178 | 34.1 | -32.3 | 0 | 0 | 0 | 110.1 | F895 P1019 F1023 | F895-P902 HydrophobicContact CE1-CB 4.38Å; P902-P1019 VanDerWaalsContact O-CB 3.23Å; P902-P1019 WeakPolarHBondContact O-CB 3.08Å; P902-F1023 HydrophobicContact CB-CB 4.12Å; P902-F1023 HydrophobicContact CB-CD1 4.22Å; P902-F1023 HydrophobicContact CB-CD2 4.43Å; P902-F1023 HydrophobicContact CB-CG 4.02Å |
| 903 | T | 82.6 | Confident | 81.4 | Confident | 14 Ų | 14 | 21.7 Ų | 21.7 | 9% | 0.086 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -130.7 | 148.3 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | Q901 G906 F1023 | Q901-T903 PolarHBondContact O-N 3.36Å; T903-G906 PolarHBondContact O-N 3.24Å; T903-G906 PolarHBondContact OG1-N 2.89Å; T903-F1023 VanDerWaalsContact O-CZ 3.31Å; T903-F1023 WeakPolarHBondContact O-CZ 3.49Å |
| 904 | L | 78.5 | Confident | 80.9 | Confident | 53 Ų | 53 | 21.8 Ų | 21.8 | 28% | 0.277 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -69.8 | -35.5 | -179.6 | -63.1 | 176.7 | 0 | 0 | 0 | 112.1 | F152 G906 I907 P1019 F1023 | F152-L904 HydrophobicContact CE1-CD1 3.79Å; F152-L904 HydrophobicContact CZ-CD1 4.21Å; L904-G906 PolarHBondContact O-N 3.32Å; L904-I907 HydrophobicContact CD2-CD1 4.23Å; L904-I907 WeakPolarHBondContact O-CG1 3.43Å; L904-I907 PolarHBondContact O-N 2.89Å; L904-P1019 HydrophobicContact CG-CG 4.41Å; L904-F1023 HydrophobicContact CD2-CE2 4.48Å |
| 905 | S | 73.5 | Confident | 80.6 | Confident | 13 Ų | 13 | 22.5 Ų | 22.5 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.1 | 172.7 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | E648 I907 | E648-S905 PolarHBondContact OE1-OG 2.71Å; S905-I907 VanDerWaalsContact C-N 3.29Å; S905-I907 PolarHBondContact O-N 3.38Å |
| 906 | G | 77.1 | Confident | 80 | Confident | 27 Ų | 27 | 24.8 Ų | 24.8 | 28% | 0.278 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T903 L904 | T903-G906 PolarHBondContact O-N 3.24Å; T903-G906 PolarHBondContact OG1-N 2.89Å; L904-G906 PolarHBondContact O-N 3.32Å |
| 907 | I | 83.4 | Confident | 79.3 | Confident | 30 Ų | 30 | 27.8 Ų | 27.8 | 15% | 0.154 | 15% | 0.147 | C | C | . | . | trans | -73.1 | 124.5 | 178.1 | -64.5 | 172.4 | 0 | 0 | 0 | 108.8 | L904 S905 W909 V930 F1023 | L904-I907 HydrophobicContact CD2-CD1 4.23Å; L904-I907 WeakPolarHBondContact O-CG1 3.43Å; L904-I907 PolarHBondContact O-N 2.89Å; S905-I907 VanDerWaalsContact C-N 3.29Å; S905-I907 PolarHBondContact O-N 3.38Å; I907-W909 VanDerWaalsContact C-N 3.3Å; I907-W909 HydrophobicContact CB-CD2 4.49Å; I907-W909 HydrophobicContact CB-CZ2 4.09Å; I907-W909 HydrophobicContact CD1-CZ2 3.95Å; I907-W909 HydrophobicContact CG2-CD2 3.8Å; I907-W909 HydrophobicContact CG2-CE3 4.19Å; I907-W909 HydrophobicContact CG2-CG 4.35Å; I907-W909 HydrophobicContact CG2-CH2 4.08Å; I907-W909 HydrophobicContact CG2-CZ2 3.67Å; I907-W909 HydrophobicContact CG2-CZ3 4.31Å; I907-W909 VanDerWaalsContact O-CD1 3.23Å; I907-W909 PolarHBondContact O-N 3.23Å; I907-V930 HydrophobicContact CG2-CG1 3.56Å; I907-F1023 HydrophobicContact CG1-CZ 4.1Å | ||
| 908 | P | 79.9 | Confident | 78.7 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 16% | 0.156 | 16% | 0.158 | C | C | . | . | trans | -79.3 | 75.3 | -174.8 | 32.4 | -36 | 0 | 0 | 0 | 111.2 | D910 A911 H933 | P908-D910 PolarHBondContact O-N 3.39Å; P908-A911 WeakPolarHBondContact O-CB 3.49Å; P908-A911 PolarHBondContact O-N 3.35Å; P908-H933 HydrophobicContact CG-CB 4.11Å; P908-H933 VanDerWaalsContact CG-ND1 3.33Å; P908-H933 WeakPolarHBondContact CG-ND1 3.21Å | ||
| 909 | W | 77.3 | Confident | 78 | Confident | 126 Ų | 126 | 31.3 Ų | 31.3 | 48% | 0.477 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -61.5 | -28.6 | -178.3 | -63.2 | 112.6 | 0 | 0 | 0 | 113.1 | I907 A911 A912 V930 | I907-W909 VanDerWaalsContact C-N 3.3Å; I907-W909 HydrophobicContact CB-CD2 4.49Å; I907-W909 HydrophobicContact CB-CZ2 4.09Å; I907-W909 HydrophobicContact CD1-CZ2 3.95Å; I907-W909 HydrophobicContact CG2-CD2 3.8Å; I907-W909 HydrophobicContact CG2-CE3 4.19Å; I907-W909 HydrophobicContact CG2-CG 4.35Å; I907-W909 HydrophobicContact CG2-CH2 4.08Å; I907-W909 HydrophobicContact CG2-CZ2 3.67Å; I907-W909 HydrophobicContact CG2-CZ3 4.31Å; I907-W909 VanDerWaalsContact O-CD1 3.23Å; I907-W909 PolarHBondContact O-N 3.23Å; W909-A911 PolarHBondContact O-N 3.42Å; W909-A912 WeakPolarHBondContact O-CB 3.48Å; W909-A912 PolarHBondContact O-N 3.01Å; W909-V930 HydrophobicContact CE3-CG2 4.21Å |
| 910 | D | 75.4 | Confident | 77.3 | Confident | 60 Ų | 60 | 32 Ų | 32 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -54.2 | -26.6 | 173 | -69.2 | -22.6 | 0 | 0 | 0 | 113.1 | R670 P908 A912 Y913 A914 | R670-D910 IonicContact CZ-OD2 2.69Å; R670-D910 IonicContact NE-OD2 3.34Å; R670-D910 IonicContact NH2-OD2 3.44Å; R670-D910 PolarHBondContact NH2-OD2 3.22Å; P908-D910 PolarHBondContact O-N 3.39Å; D910-A912 PolarHBondContact O-N 3Å; D910-Y913 PolarHBondContact O-N 3.38Å; D910-Y913 VanDerWaalsContact O-N 3.12Å; D910-A914 PolarHBondContact O-N 3.07Å |
| 911 | A | 80.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -63.9 | -25.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | P908 W909 Y913 A914 T929 V930 H933 | P908-A911 WeakPolarHBondContact O-CB 3.49Å; P908-A911 PolarHBondContact O-N 3.35Å; W909-A911 PolarHBondContact O-N 3.42Å; A911-Y913 PolarHBondContact O-N 3.08Å; A911-A914 WeakPolarHBondContact O-CB 3.35Å; A911-A914 PolarHBondContact O-N 3.15Å; A911-T929 WeakPolarHBondContact O-CB 3.21Å; A911-T929 PolarHBondContact O-OG1 3.21Å; A911-V930 HydrophobicContact CB-CG2 4.33Å; A911-H933 HydrophobicContact CB-CB 3.71Å |
| 912 | A | 80.8 | Confident | 75.5 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -58.3 | -36.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | W909 D910 H920 P926 T929 V930 | W909-A912 WeakPolarHBondContact O-CB 3.48Å; W909-A912 PolarHBondContact O-N 3.01Å; D910-A912 PolarHBondContact O-N 3Å; A912-H920 PolarHBondContact O-CE1 3.46Å; A912-P926 HydrophobicContact CB-CB 3.84Å; A912-T929 WeakPolarHBondContact CA-OG1 3.17Å; A912-V930 HydrophobicContact CB-CG2 4.18Å |
| 913 | Y | 78.1 | Confident | 74.7 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -100 | 3.3 | -175.8 | -52.7 | -75.1 | 0 | 0 | 0 | 113.1 | F205 D910 A911 A915 Y916 H920 | F205-Y913 WeakPolarHBondContact CB-OH 3.36Å; F205-Y913 PolarHBondContact O-OH 3.02Å; D910-Y913 PolarHBondContact O-N 3.38Å; D910-Y913 VanDerWaalsContact O-N 3.12Å; A911-Y913 PolarHBondContact O-N 3.08Å; Y913-A915 VanDerWaalsContact C-N 3.31Å; Y913-A915 PolarHBondContact O-N 2.75Å; Y913-Y916 CarbonylContact C-O 3.33Å; Y913-Y916 WeakPolarHBondContact CA-O 3.24Å; Y913-Y916 VanDerWaalsContact O-O 3.14Å; Y913-H920 AromaticContact CD1-CE1 3.82Å; Y913-H920 AromaticContact CD1-NE2 3.59Å; Y913-H920 AromaticContact CE1-CD2 3.86Å; Y913-H920 AromaticContact CE1-CE1 3.78Å; Y913-H920 AromaticContact CE1-NE2 3.2Å; Y913-H920 WeakPolarHBondContact CE1-NE2 3.37Å; Y913-H920 AromaticContact CZ-NE2 3.75Å |
| 914 | A | 76.5 | Confident | 74.5 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -63.2 | -36.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R761 F832 D910 A911 | R761-A914 PolarHBondContact NH1-O 3.48Å; F832-A914 HydrophobicContact CD1-CB 4.34Å; D910-A914 PolarHBondContact O-N 3.07Å; A911-A914 WeakPolarHBondContact O-CB 3.35Å; A911-A914 PolarHBondContact O-N 3.15Å |
| 915 | A | 77.2 | Confident | 74.5 | Confident | 15 Ų | 15 | 55 Ų | 55 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -126.7 | 11.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R766 L769 F832 Y913 | R766-A915 WeakPolarHBondContact CG-O 3.47Å; R766-A915 PolarHBondContact NE-O 3.2Å; L769-A915 HydrophobicContact CD1-CB 3.69Å; F832-A915 HydrophobicContact CE1-CB 4.11Å; Y913-A915 VanDerWaalsContact C-N 3.31Å; Y913-A915 PolarHBondContact O-N 2.75Å |
| 916 | Y | 76.2 | Confident | 74.9 | Confident | 62 Ų | 62 | 55 Ų | 55 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | trans | -142.2 | 137 | -177 | -161.1 | -77.8 | 0 | 0 | 0 | 110.2 | Y913 H920 L925 | Y913-Y916 CarbonylContact C-O 3.33Å; Y913-Y916 WeakPolarHBondContact CA-O 3.24Å; Y913-Y916 VanDerWaalsContact O-O 3.14Å; Y916-H920 AromaticContact CD1-CE1 3.38Å; Y916-H920 WeakPolarHBondContact CD1-CE1 3.4Å; Y916-H920 AromaticContact CD1-ND1 2.99Å; Y916-H920 WeakPolarHBondContact CD1-ND1 3.35Å; Y916-H920 AromaticContact CE1-ND1 3.35Å; Y916-H920 VanDerWaalsContact CE1-ND1 3.35Å; Y916-H920 WeakPolarHBondContact CE1-ND1 3.26Å; Y916-H920 AromaticContact CG-CE1 3.83Å; Y916-H920 AromaticContact CG-ND1 3.66Å; Y916-L925 HydrophobicContact CD2-CD2 4.14Å | ||
| 917 | E | 72.9 | Confident | 75.3 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | trans | -108.9 | 142.8 | -176 | -165.6 | 172.7 | -174.7 | 0 | 0 | 110.2 | T759 I762 | T759-E917 WeakPolarHBondContact CB-OE1 3.23Å; T759-E917 VanDerWaalsContact CG2-OE2 3.27Å; T759-E917 WeakPolarHBondContact CG2-OE2 3.26Å; T759-E917 PolarHBondContact OG1-OE1 3.48Å; T759-E917 PolarHBondContact OG1-OE2 3.5Å; I762-E917 HydrophobicContact CD1-CB 3.44Å; I762-E917 VanDerWaalsContact CD1-CB 3.44Å; I762-E917 HydrophobicContact CD1-CG 3.8Å; I762-E917 HydrophobicContact CG2-CB 4.48Å | ||
| 918 | G | 66.3 | Low | 75.4 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 70.5 | -168.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 919 | D | 63.4 | Low | 75.6 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -69 | 135.6 | -175.9 | -55.9 | -54.5 | 0 | 0 | 0 | 111.7 | S203 F205 N921 | S203-D919 WeakPolarHBondContact CB-OD2 3.39Å; S203-D919 PolarHBondContact OG-OD2 3.27Å; F205-D919 WeakPolarHBondContact CB-OD1 3.12Å; D919-N921 PolarHBondContact O-N 2.87Å |
| 920 | H | 63.6 | Low | 76.1 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | trans | -83.2 | 108.2 | -175.9 | -56.4 | -57.4 | 0 | 0 | 0 | 110.5 | A912 Y913 Y916 T922 P926 | A912-H920 PolarHBondContact O-CE1 3.46Å; Y913-H920 AromaticContact CD1-CE1 3.82Å; Y913-H920 AromaticContact CD1-NE2 3.59Å; Y913-H920 AromaticContact CE1-CD2 3.86Å; Y913-H920 AromaticContact CE1-CE1 3.78Å; Y913-H920 AromaticContact CE1-NE2 3.2Å; Y913-H920 WeakPolarHBondContact CE1-NE2 3.37Å; Y913-H920 AromaticContact CZ-NE2 3.75Å; Y916-H920 AromaticContact CD1-CE1 3.38Å; Y916-H920 WeakPolarHBondContact CD1-CE1 3.4Å; Y916-H920 AromaticContact CD1-ND1 2.99Å; Y916-H920 WeakPolarHBondContact CD1-ND1 3.35Å; Y916-H920 AromaticContact CE1-ND1 3.35Å; Y916-H920 VanDerWaalsContact CE1-ND1 3.35Å; Y916-H920 WeakPolarHBondContact CE1-ND1 3.26Å; Y916-H920 AromaticContact CG-CE1 3.83Å; Y916-H920 AromaticContact CG-ND1 3.66Å; H920-T922 WeakPolarHBondContact CB-O 3.45Å; H920-T922 PolarHBondContact O-N 2.8Å; H920-P926 HydrophobicContact CB-CG 3.67Å; H920-P926 WeakPolarHBondContact CD2-CG 3.49Å; H920-P926 WeakPolarHBondContact ND1-CG 3.33Å; H920-P926 WeakPolarHBondContact NE2-CG 3.49Å | ||
| 921 | N | 63.4 | Low | 76.7 | Confident | 152 Ų | 152 | 51.3 Ų | 51.3 | 81% | 0.813 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -57.3 | -21.7 | 167.8 | -70 | -12.6 | 0 | 0 | 0 | 112.4 | D919 | D919-N921 PolarHBondContact O-N 2.87Š|
| 922 | T | 69.1 | Low | 77 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 36% | 0.356 | 27% | 0.273 | S | S | . | . | trans | -130.7 | 132.1 | 178 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | H920 W924 P926 | H920-T922 WeakPolarHBondContact CB-O 3.45Å; H920-T922 PolarHBondContact O-N 2.8Å; T922-W924 PolarHBondContact OG1-NE1 3.26Å; T922-P926 WeakPolarHBondContact O-CD 3.47Å; T922-P926 WeakPolarHBondContact O-CG 3.28Å | ||
| 923 | R | 72.8 | Confident | 77.3 | Confident | 137 Ų | 137 | 54.3 Ų | 54.3 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -85.8 | -14.4 | -177.7 | -59.2 | -175.9 | -173.9 | 171.2 | 6 | 114.3 | F159 G160 G927 | F159-R923 PolarHBondContact O-NH1 2.77Å; G160-R923 VanDerWaalsContact C-NH1 3.27Å; G160-R923 PolarHBondContact O-NH1 3.45Å; G160-R923 PolarHBondContact O-NH2 3.29Å; R923-G927 PolarHBondContact O-N 3.38Å; R923-G927 VanDerWaalsContact O-N 3.14Å |
| 924 | W | 77.8 | Confident | 77.8 | Confident | 169 Ų | 169 | 53.3 Ų | 53.3 | 64% | 0.64 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.6 | -39 | -174.8 | 69.2 | -96.6 | 0 | 0 | 0 | 113.4 | T922 L928 | T922-W924 PolarHBondContact OG1-NE1 3.26Å; W924-L928 WeakPolarHBondContact O-CB 3.31Å; W924-L928 PolarHBondContact O-N 2.85Å |
| 925 | L | 80.1 | Confident | 78.4 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72 | -46.7 | -178 | -179.1 | 69.1 | 0 | 0 | 0 | 111.7 | Y916 G927 L928 T929 | Y916-L925 HydrophobicContact CD2-CD2 4.14Å; L925-G927 VanDerWaalsContact C-N 3.33Å; L925-G927 PolarHBondContact O-N 3.33Å; L925-L928 WeakPolarHBondContact O-CB 3.23Å; L925-L928 PolarHBondContact O-N 2.91Å; L925-T929 PolarHBondContact O-N 3.33Å; L925-T929 PolarHBondContact O-OG1 2.96Å |
| 926 | P | 80.8 | Confident | 78.8 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 170.3 | -25.5 | 35.3 | 0 | 0 | 0 | 112.8 | A912 H920 T922 L928 T929 V930 | A912-P926 HydrophobicContact CB-CB 3.84Å; H920-P926 HydrophobicContact CB-CG 3.67Å; H920-P926 WeakPolarHBondContact CD2-CG 3.49Å; H920-P926 WeakPolarHBondContact ND1-CG 3.33Å; H920-P926 WeakPolarHBondContact NE2-CG 3.49Å; T922-P926 WeakPolarHBondContact O-CD 3.47Å; T922-P926 WeakPolarHBondContact O-CG 3.28Å; P926-L928 VanDerWaalsContact C-N 3.31Å; P926-L928 PolarHBondContact O-N 3.5Å; P926-T929 WeakPolarHBondContact CA-OG1 3.46Å; P926-T929 PolarHBondContact O-N 3.28Å; P926-T929 PolarHBondContact O-OG1 3.5Å; P926-V930 WeakPolarHBondContact O-CG2 3.44Å; P926-V930 PolarHBondContact O-N 2.81Å |
| 927 | G | 85.1 | Confident | 79.2 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 32% | 0.32 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R923 L925 T929 V930 L931 | R923-G927 PolarHBondContact O-N 3.38Å; R923-G927 VanDerWaalsContact O-N 3.14Å; L925-G927 VanDerWaalsContact C-N 3.33Å; L925-G927 PolarHBondContact O-N 3.33Å; G927-T929 PolarHBondContact O-N 2.9Å; G927-V930 PolarHBondContact O-N 3.17Å; G927-L931 VanDerWaalsContact O-CG 3.29Å; G927-L931 WeakPolarHBondContact O-CG 3.23Å; G927-L931 PolarHBondContact O-N 3.34Å |
| 928 | L | 85.4 | Confident | 79.9 | Confident | 79 Ų | 79 | 46.7 Ų | 46.7 | 41% | 0.414 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 175.9 | -179.8 | 63.8 | 0 | 0 | 0 | 112.1 | W924 L925 P926 L931 L932 | W924-L928 WeakPolarHBondContact O-CB 3.31Å; W924-L928 PolarHBondContact O-N 2.85Å; L925-L928 WeakPolarHBondContact O-CB 3.23Å; L925-L928 PolarHBondContact O-N 2.91Å; P926-L928 VanDerWaalsContact C-N 3.31Å; P926-L928 PolarHBondContact O-N 3.5Å; L928-L931 PolarHBondContact O-N 2.86Å; L928-L932 HydrophobicContact CD1-CD1 4.4Å; L928-L932 HydrophobicContact CD1-CG 4.21Å; L928-L932 HydrophobicContact CG-CD1 4.09Å; L928-L932 HydrophobicContact CG-CG 4.34Å; L928-L932 WeakPolarHBondContact O-CB 3.13Å; L928-L932 VanDerWaalsContact O-CG 3.26Å; L928-L932 WeakPolarHBondContact O-CG 3.27Å; L928-L932 PolarHBondContact O-N 2.83Å |
| 929 | T | 85 | Confident | 80.9 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.2 | 46 | 0 | 0 | 0 | 0 | 112.1 | F832 A911 A912 L925 P926 G927 L932 H933 | F832-T929 HydrophobicContact CD1-CG2 3.85Å; F832-T929 HydrophobicContact CE1-CG2 3.49Å; F832-T929 VanDerWaalsContact CE1-CG2 3.49Å; F832-T929 HydrophobicContact CZ-CG2 4.2Å; A911-T929 WeakPolarHBondContact O-CB 3.21Å; A911-T929 PolarHBondContact O-OG1 3.21Å; A912-T929 WeakPolarHBondContact CA-OG1 3.17Å; L925-T929 PolarHBondContact O-N 3.33Å; L925-T929 PolarHBondContact O-OG1 2.96Å; P926-T929 WeakPolarHBondContact CA-OG1 3.46Å; P926-T929 PolarHBondContact O-N 3.28Å; P926-T929 PolarHBondContact O-OG1 3.5Å; G927-T929 PolarHBondContact O-N 2.9Å; T929-L932 PolarHBondContact O-N 3.5Å; T929-H933 WeakPolarHBondContact O-CB 2.99Å; T929-H933 PolarHBondContact O-N 3Å |
| 930 | V | 87.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 172.7 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | I907 W909 A911 A912 P926 G927 L932 H933 L934 | I907-V930 HydrophobicContact CG2-CG1 3.56Å; W909-V930 HydrophobicContact CE3-CG2 4.21Å; A911-V930 HydrophobicContact CB-CG2 4.33Å; A912-V930 HydrophobicContact CB-CG2 4.18Å; P926-V930 WeakPolarHBondContact O-CG2 3.44Å; P926-V930 PolarHBondContact O-N 2.81Å; G927-V930 PolarHBondContact O-N 3.17Å; V930-L932 PolarHBondContact O-N 2.91Å; V930-H933 WeakPolarHBondContact O-CB 3.39Å; V930-H933 PolarHBondContact O-N 3.43Å; V930-L934 VanDerWaalsContact O-CB 3.23Å; V930-L934 WeakPolarHBondContact O-CB 3.32Å; V930-L934 PolarHBondContact O-N 3.23Å |
| 931 | L | 89.1 | Confident | 82.6 | Confident | 61 Ų | 61 | 42 Ų | 42 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 177 | -72.1 | 175.8 | 0 | 0 | 0 | 113.1 | G927 L928 H933 L934 Y935 L1026 | G927-L931 VanDerWaalsContact O-CG 3.29Å; G927-L931 WeakPolarHBondContact O-CG 3.23Å; G927-L931 PolarHBondContact O-N 3.34Å; L928-L931 PolarHBondContact O-N 2.86Å; L931-H933 VanDerWaalsContact C-N 3.32Å; L931-L934 PolarHBondContact O-N 3.22Å; L931-Y935 HydrophobicContact CD2-CD2 4.49Å; L931-Y935 HydrophobicContact CD2-CE2 4.34Å; L931-Y935 PolarHBondContact O-N 3.36Å; L931-L1026 HydrophobicContact CD2-CD1 4.1Å; L931-L1026 HydrophobicContact CD2-CD2 3.6Å; L931-L1026 HydrophobicContact CD2-CG 4.18Å |
| 932 | L | 86.3 | Confident | 83.6 | Confident | 49 Ų | 49 | 34.9 Ų | 34.9 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.7 | -73.8 | 175.1 | 0 | 0 | 0 | 111.5 | L829 F832 L928 T929 V930 S936 I939 | L829-L932 HydrophobicContact CD2-CB 4.13Å; L829-L932 VanDerWaalsContact CD2-O 3.23Å; L829-L932 WeakPolarHBondContact CD2-O 3.29Å; F832-L932 HydrophobicContact CE2-CD1 4.14Å; L928-L932 HydrophobicContact CD1-CD1 4.4Å; L928-L932 HydrophobicContact CD1-CG 4.21Å; L928-L932 HydrophobicContact CG-CD1 4.09Å; L928-L932 HydrophobicContact CG-CG 4.34Å; L928-L932 WeakPolarHBondContact O-CB 3.13Å; L928-L932 VanDerWaalsContact O-CG 3.26Å; L928-L932 WeakPolarHBondContact O-CG 3.27Å; L928-L932 PolarHBondContact O-N 2.83Å; T929-L932 PolarHBondContact O-N 3.5Å; V930-L932 PolarHBondContact O-N 2.91Å; L932-S936 VanDerWaalsContact O-CA 3.27Å; L932-S936 WeakPolarHBondContact O-CA 3.46Å; L932-S936 VanDerWaalsContact O-CB 3.31Å; L932-S936 WeakPolarHBondContact O-CB 3.33Å; L932-S936 PolarHBondContact O-N 3.1Å; L932-S936 VanDerWaalsContact O-N 3.08Å; L932-I939 HydrophobicContact CD2-CD1 3.91Å |
| 933 | H | 87.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 11% | 0.106 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -55.3 | 173.5 | -170.2 | -59.2 | 0 | 0 | 0 | 110.4 | F832 L833 H900 P908 A911 T929 V930 L931 Y935 S936 | F832-H933 PolarHBondContact O-CD2 2.67Å; L833-H933 WeakPolarHBondContact CA-NE2 3.31Å; L833-H933 HydrophobicContact CD2-CB 4.48Å; L833-H933 VanDerWaalsContact CD2-CE1 3.5Å; L833-H933 WeakPolarHBondContact CD2-CE1 3.43Å; H900-H933 AromaticContact CE1-CE1 3.97Å; H900-H933 AromaticContact CE1-ND1 3.54Å; H900-H933 PolarHBondContact CE1-O 3.42Å; H900-H933 AromaticContact NE2-CE1 3.33Å; H900-H933 PolarHBondContact NE2-CE1 3.14Å; H900-H933 VanDerWaalsContact NE2-CE1 3.33Å; H900-H933 AromaticContact NE2-ND1 2.83Å; H900-H933 PolarHBondContact NE2-ND1 2.94Å; H900-H933 PolarHBondContact NE2-O 3.12Å; P908-H933 HydrophobicContact CG-CB 4.11Å; P908-H933 VanDerWaalsContact CG-ND1 3.33Å; P908-H933 WeakPolarHBondContact CG-ND1 3.21Å; A911-H933 HydrophobicContact CB-CB 3.71Å; T929-H933 WeakPolarHBondContact O-CB 2.99Å; T929-H933 PolarHBondContact O-N 3Å; V930-H933 WeakPolarHBondContact O-CB 3.39Å; V930-H933 PolarHBondContact O-N 3.43Å; L931-H933 VanDerWaalsContact C-N 3.32Å; H933-Y935 VanDerWaalsContact C-N 3.33Å; H933-Y935 PolarHBondContact O-N 3.41Å; H933-S936 VanDerWaalsContact O-CB 3.26Å; H933-S936 WeakPolarHBondContact O-CB 3.29Å; H933-S936 PolarHBondContact O-N 3.2Å; H933-S936 PolarHBondContact O-OG 3.12Å |
| 934 | L | 88.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -38.7 | -174.1 | -176.3 | 59.2 | 0 | 0 | 0 | 113.5 | F895 H900 V930 L931 F1023 | F895-L934 WeakPolarHBondContact CD2-O 3.35Å; F895-L934 HydrophobicContact CE2-CD1 3.66Å; F895-L934 HydrophobicContact CE2-CG 4.09Å; F895-L934 HydrophobicContact CZ-CD1 4.1Å; H900-L934 HydrophobicContact CB-CD1 3.92Å; H900-L934 VanDerWaalsContact CD2-CD1 3.48Å; H900-L934 WeakPolarHBondContact CD2-CD1 3.33Å; V930-L934 VanDerWaalsContact O-CB 3.23Å; V930-L934 WeakPolarHBondContact O-CB 3.32Å; V930-L934 PolarHBondContact O-N 3.23Å; L931-L934 PolarHBondContact O-N 3.22Å; L934-F1023 HydrophobicContact CD1-CD1 4.39Å; L934-F1023 HydrophobicContact CD1-CE1 3.8Å; L934-F1023 HydrophobicContact CD2-CD1 4.16Å; L934-F1023 HydrophobicContact CD2-CE1 3.77Å; L934-F1023 HydrophobicContact CD2-CZ 4.44Å; L934-F1023 HydrophobicContact CG-CE1 4.28Å |
| 935 | Y | 89.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 19.7 | 180 | -66.4 | -80.2 | 0 | 0 | 0 | 113.4 | F895 L931 H933 G937 P938 I939 F1023 L1026 I1030 | F895-Y935 HydrophobicContact CD2-CD1 4.47Å; F895-Y935 HydrophobicContact CD2-CE1 4.43Å; F895-Y935 HydrophobicContact CE2-CE1 4.47Å; L931-Y935 HydrophobicContact CD2-CD2 4.49Å; L931-Y935 HydrophobicContact CD2-CE2 4.34Å; L931-Y935 PolarHBondContact O-N 3.36Å; H933-Y935 VanDerWaalsContact C-N 3.33Å; H933-Y935 PolarHBondContact O-N 3.41Å; Y935-G937 VanDerWaalsContact C-N 3.34Å; Y935-G937 PolarHBondContact O-N 3.02Å; Y935-P938 HydrophobicContact CD1-CB 4.37Å; Y935-P938 HydrophobicContact CD1-CG 4.18Å; Y935-P938 WeakPolarHBondContact O-CD 3.42Å; Y935-I939 VanDerWaalsContact O-CB 3.26Å; Y935-I939 WeakPolarHBondContact O-CB 3.25Å; Y935-I939 WeakPolarHBondContact O-CD1 3.42Å; Y935-I939 WeakPolarHBondContact O-CG1 3.49Å; Y935-I939 PolarHBondContact O-N 2.87Å; Y935-F1023 WeakPolarHBondContact OH-CA 3.29Å; Y935-F1023 PolarHBondContact OH-O 2.83Å; Y935-L1026 HydrophobicContact CE2-CB 4.36Å; Y935-L1026 HydrophobicContact CE2-CD2 3.53Å; Y935-L1026 HydrophobicContact CE2-CG 3.59Å; Y935-L1026 WeakPolarHBondContact OH-CB 3.5Å; Y935-L1026 WeakPolarHBondContact OH-CD2 3.43Å; Y935-L1026 WeakPolarHBondContact OH-CG 3.43Å; Y935-I1030 HydrophobicContact CD1-CD1 4.05Å; Y935-I1030 HydrophobicContact CD2-CD1 3.11Å; Y935-I1030 HydrophobicContact CE1-CD1 4.45Å; Y935-I1030 HydrophobicContact CE2-CD1 3.58Å; Y935-I1030 HydrophobicContact CG-CD1 3.36Å |
| 936 | S | 85.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -51.2 | -48.4 | -179.5 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | T898 L932 H933 I940 | T898-S936 WeakPolarHBondContact CG2-OG 3.26Å; L932-S936 VanDerWaalsContact O-CA 3.27Å; L932-S936 WeakPolarHBondContact O-CA 3.46Å; L932-S936 VanDerWaalsContact O-CB 3.31Å; L932-S936 WeakPolarHBondContact O-CB 3.33Å; L932-S936 PolarHBondContact O-N 3.1Å; L932-S936 VanDerWaalsContact O-N 3.08Å; H933-S936 VanDerWaalsContact O-CB 3.26Å; H933-S936 WeakPolarHBondContact O-CB 3.29Å; H933-S936 PolarHBondContact O-N 3.2Å; H933-S936 PolarHBondContact O-OG 3.12Å; S936-I940 WeakPolarHBondContact O-CD1 3.31Å; S936-I940 WeakPolarHBondContact O-CG1 3.37Å; S936-I940 PolarHBondContact O-N 3.27Å |
| 937 | G | 83.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -58.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y935 I939 I940 I941 | Y935-G937 VanDerWaalsContact C-N 3.34Å; Y935-G937 PolarHBondContact O-N 3.02Å; G937-I939 VanDerWaalsContact C-N 3.31Å; G937-I939 PolarHBondContact O-N 3.34Å; G937-I940 PolarHBondContact O-N 3.47Å; G937-I940 VanDerWaalsContact O-N 3.16Å; G937-I941 PolarHBondContact O-N 3.05Å |
| 938 | P | 88.2 | Confident | 84.1 | Confident | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.039 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -52 | -44.1 | 175 | -34.3 | 39.8 | 0 | 0 | 0 | 113.9 | D891 S894 F895 Y935 I940 I941 A942 | D891-P938 VanDerWaalsContact OD2-CA 3.28Å; D891-P938 WeakPolarHBondContact OD2-CA 3.2Å; D891-P938 VanDerWaalsContact OD2-CB 3.26Å; D891-P938 WeakPolarHBondContact OD2-CB 3.42Å; S894-P938 VanDerWaalsContact OG-CD 3.24Å; S894-P938 WeakPolarHBondContact OG-CD 3Å; S894-P938 VanDerWaalsContact OG-N 3.08Å; F895-P938 HydrophobicContact CB-CG 4.11Å; Y935-P938 HydrophobicContact CD1-CB 4.37Å; Y935-P938 HydrophobicContact CD1-CG 4.18Å; Y935-P938 WeakPolarHBondContact O-CD 3.42Å; P938-I940 PolarHBondContact O-N 3.09Å; P938-I941 PolarHBondContact O-N 3.14Å; P938-A942 WeakPolarHBondContact O-CB 3.42Å; P938-A942 PolarHBondContact O-N 3.43Å |
| 939 | I | 86.8 | Confident | 83.4 | Confident | 12 Ų | 12 | 11.9 Ų | 11.9 | 6% | 0.062 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 177.7 | -71.5 | 166.7 | 0 | 0 | 0 | 110.6 | L932 Y935 G937 I941 A942 F943 I1030 | L932-I939 HydrophobicContact CD2-CD1 3.91Å; Y935-I939 VanDerWaalsContact O-CB 3.26Å; Y935-I939 WeakPolarHBondContact O-CB 3.25Å; Y935-I939 WeakPolarHBondContact O-CD1 3.42Å; Y935-I939 WeakPolarHBondContact O-CG1 3.49Å; Y935-I939 PolarHBondContact O-N 2.87Å; G937-I939 VanDerWaalsContact C-N 3.31Å; G937-I939 PolarHBondContact O-N 3.34Å; I939-I941 VanDerWaalsContact C-N 3.3Å; I939-I941 PolarHBondContact O-N 3.11Å; I939-A942 PolarHBondContact O-N 3.45Å; I939-F943 HydrophobicContact CG2-CD1 3.88Å; I939-F943 HydrophobicContact CG2-CE1 3.71Å; I939-F943 HydrophobicContact CG2-CE2 4.35Å; I939-F943 HydrophobicContact CG2-CG 4.32Å; I939-F943 HydrophobicContact CG2-CZ 3.97Å; I939-F943 VanDerWaalsContact O-CB 3.24Å; I939-F943 WeakPolarHBondContact O-CB 3.35Å; I939-F943 WeakPolarHBondContact O-CD1 3.26Å; I939-F943 VanDerWaalsContact O-CG 3.31Å; I939-F943 WeakPolarHBondContact O-CG 3.39Å; I939-F943 PolarHBondContact O-N 2.81Å; I939-I1030 HydrophobicContact CD1-CG2 4.4Å; I939-I1030 HydrophobicContact CG1-CG2 3.92Å |
| 940 | I | 80.8 | Confident | 82.6 | Confident | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 178.7 | -70.3 | 164.6 | 0 | 0 | 0 | 110.9 | M822 F826 L829 V842 I845 S936 G937 P938 F943 S944 | M822-I940 HydrophobicContact CE-CG2 3.97Å; M822-I940 HydrophobicContact SD-CG2 4.34Å; F826-I940 HydrophobicContact CD2-CD1 4.26Å; L829-I940 HydrophobicContact CD1-CD1 3.58Å; L829-I940 HydrophobicContact CD1-CG1 3.58Å; V842-I940 HydrophobicContact CG2-CD1 3.72Å; V842-I940 HydrophobicContact CG2-CG2 4.31Å; I845-I940 HydrophobicContact CD1-CG2 4.48Å; S936-I940 WeakPolarHBondContact O-CD1 3.31Å; S936-I940 WeakPolarHBondContact O-CG1 3.37Å; S936-I940 PolarHBondContact O-N 3.27Å; G937-I940 PolarHBondContact O-N 3.47Å; G937-I940 VanDerWaalsContact O-N 3.16Å; P938-I940 PolarHBondContact O-N 3.09Å; I940-F943 PolarHBondContact O-N 2.74Å; I940-S944 WeakPolarHBondContact O-CB 3.5Å; I940-S944 PolarHBondContact O-N 2.96Å |
| 941 | I | 82.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.9 | -48 | 177.8 | -70.7 | 173.7 | 0 | 0 | 0 | 110.5 | I845 L887 L890 D891 S894 G937 P938 I939 F943 S944 L945 | I845-I941 HydrophobicContact CD1-CD1 3.93Å; I845-I941 HydrophobicContact CD1-CG1 3.67Å; I845-I941 HydrophobicContact CG1-CD1 4.44Å; I845-I941 HydrophobicContact CG1-CG1 4.32Å; I845-I941 HydrophobicContact CG2-CG1 4.49Å; L887-I941 HydrophobicContact CD2-CG2 4.42Å; L890-I941 VanDerWaalsContact C-CD1 3.41Å; L890-I941 HydrophobicContact CB-CD1 4.12Å; L890-I941 HydrophobicContact CD2-CD1 4Å; L890-I941 HydrophobicContact CD2-CG1 4.45Å; L890-I941 HydrophobicContact CG-CD1 3.62Å; L890-I941 WeakPolarHBondContact O-CD1 3.35Å; D891-I941 HydrophobicContact CB-CG2 4.22Å; S894-I941 VanDerWaalsContact CB-CD1 3.45Å; S894-I941 WeakPolarHBondContact OG-CD1 3.38Å; G937-I941 PolarHBondContact O-N 3.05Å; P938-I941 PolarHBondContact O-N 3.14Å; I939-I941 VanDerWaalsContact C-N 3.3Å; I939-I941 PolarHBondContact O-N 3.11Å; I941-F943 PolarHBondContact O-N 2.93Å; I941-S944 WeakPolarHBondContact O-CB 3.42Å; I941-S944 PolarHBondContact O-N 3.29Å; I941-S944 PolarHBondContact O-OG 2.85Å; I941-L945 WeakPolarHBondContact O-CD1 3.36Å |
| 942 | A | 84 | Confident | 80 | Confident | 2 Ų | 2 | 10 Ų | 10 | 2% | 0.017 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.4 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P938 I939 S944 L945 L1035 | P938-A942 WeakPolarHBondContact O-CB 3.42Å; P938-A942 PolarHBondContact O-N 3.43Å; I939-A942 PolarHBondContact O-N 3.45Å; A942-S944 VanDerWaalsContact C-N 3.3Å; A942-S944 PolarHBondContact O-N 3.3Å; A942-L945 WeakPolarHBondContact O-CD1 3.31Å; A942-L945 PolarHBondContact O-N 3.42Å; A942-L1035 HydrophobicContact CB-CD2 3.91Å |
| 943 | F | 84.8 | Confident | 78.5 | Confident | 37 Ų | 37 | 8.2 Ų | 8.2 | 16% | 0.162 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -71.6 | -25 | 179.7 | -81.7 | 39.9 | 0 | 0 | 0 | 112.6 | F821 P825 I939 I940 I941 L945 P946 C1034 I1038 | F821-F943 HydrophobicContact CB-CB 4.04Å; F821-F943 HydrophobicContact CB-CD2 4.36Å; F821-F943 VanDerWaalsContact CB-O 3.27Å; F821-F943 WeakPolarHBondContact CB-O 3.29Å; F821-F943 HydrophobicContact CD1-CD2 4.17Å; F821-F943 VanDerWaalsContact O-CB 3.24Å; F821-F943 WeakPolarHBondContact O-CB 3.47Å; P825-F943 HydrophobicContact CB-CD2 4.04Å; P825-F943 HydrophobicContact CB-CE2 4.26Å; P825-F943 HydrophobicContact CG-CD2 3.76Å; P825-F943 HydrophobicContact CG-CE2 4.02Å; I939-F943 HydrophobicContact CG2-CD1 3.88Å; I939-F943 HydrophobicContact CG2-CE1 3.71Å; I939-F943 HydrophobicContact CG2-CE2 4.35Å; I939-F943 HydrophobicContact CG2-CG 4.32Å; I939-F943 HydrophobicContact CG2-CZ 3.97Å; I939-F943 VanDerWaalsContact O-CB 3.24Å; I939-F943 WeakPolarHBondContact O-CB 3.35Å; I939-F943 WeakPolarHBondContact O-CD1 3.26Å; I939-F943 VanDerWaalsContact O-CG 3.31Å; I939-F943 WeakPolarHBondContact O-CG 3.39Å; I939-F943 PolarHBondContact O-N 2.81Å; I940-F943 PolarHBondContact O-N 2.74Å; I941-F943 PolarHBondContact O-N 2.93Å; F943-L945 VanDerWaalsContact C-N 3.33Å; F943-L945 PolarHBondContact O-N 3.12Å; F943-P946 WeakPolarHBondContact O-CD 3.49Å; F943-C1034 HydrophobicContact CE1-CB 4.02Å; F943-I1038 HydrophobicContact CB-CD1 4.5Å; F943-I1038 HydrophobicContact CD1-CD1 3.45Å; F943-I1038 VanDerWaalsContact CD1-CD1 3.45Å; F943-I1038 HydrophobicContact CD1-CG1 4.14Å; F943-I1038 HydrophobicContact CE1-CD1 3.84Å; F943-I1038 HydrophobicContact CE1-CG1 4.22Å; F943-I1038 HydrophobicContact CG-CD1 4.08Å |
| 944 | S | 80.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -74.4 | -17.6 | 178.8 | 79.9 | 0 | 0 | 0 | 0 | 114.7 | M822 Q849 I940 I941 A942 T947 I948 | M822-S944 WeakPolarHBondContact SD-CA 3.18Å; M822-S944 WeakPolarHBondContact SD-CB 3.21Å; Q849-S944 VanDerWaalsContact NE2-CB 3.31Å; Q849-S944 PolarHBondContact NE2-OG 2.93Å; I940-S944 WeakPolarHBondContact O-CB 3.5Å; I940-S944 PolarHBondContact O-N 2.96Å; I941-S944 WeakPolarHBondContact O-CB 3.42Å; I941-S944 PolarHBondContact O-N 3.29Å; I941-S944 PolarHBondContact O-OG 2.85Å; A942-S944 VanDerWaalsContact C-N 3.3Å; A942-S944 PolarHBondContact O-N 3.3Å; S944-T947 WeakPolarHBondContact O-CB 3.4Å; S944-T947 PolarHBondContact O-N 2.91Å; S944-I948 WeakPolarHBondContact O-CG1 3.44Å; S944-I948 PolarHBondContact O-N 3.41Å |
| 945 | L | 81.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -51.7 | -50.7 | -173.1 | -93.5 | 63.9 | 0 | 0 | 0 | 114.7 | L887 I941 A942 F943 T947 I948 I949 F985 I986 F989 L1035 | L887-L945 HydrophobicContact CD1-CD1 3.66Å; L887-L945 HydrophobicContact CD1-CG 4.01Å; I941-L945 WeakPolarHBondContact O-CD1 3.36Å; A942-L945 WeakPolarHBondContact O-CD1 3.31Å; A942-L945 PolarHBondContact O-N 3.42Å; F943-L945 VanDerWaalsContact C-N 3.33Å; F943-L945 PolarHBondContact O-N 3.12Å; L945-T947 PolarHBondContact O-N 3.25Å; L945-I948 PolarHBondContact O-N 3.22Å; L945-I949 PolarHBondContact O-N 3.28Å; L945-I949 VanDerWaalsContact O-N 3.13Å; L945-F985 HydrophobicContact CB-CD1 4.11Å; L945-F985 HydrophobicContact CB-CE1 4.12Å; L945-F985 HydrophobicContact CD2-CD1 3.98Å; L945-F985 HydrophobicContact CD2-CE1 4.23Å; L945-F985 HydrophobicContact CD2-CG 4.5Å; L945-F985 HydrophobicContact CG-CD1 3.77Å; L945-F985 HydrophobicContact CG-CE1 3.62Å; L945-F985 HydrophobicContact CG-CZ 4.4Å; L945-I986 HydrophobicContact CD2-CG1 4.48Å; L945-F989 HydrophobicContact CD2-CB 4.4Å; L945-F989 HydrophobicContact CD2-CG 4.44Å; L945-L1035 HydrophobicContact CD2-CD2 3.81Å |
| 946 | P | 80.3 | Confident | 72 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | -179.8 | -21.1 | 32 | 0 | 0 | 0 | 111.6 | T817 F821 F943 I949 I950 L982 I1038 V1042 | T817-P946 HydrophobicContact CG2-CB 4.18Å; F821-P946 HydrophobicContact CD2-CG 4.42Å; F943-P946 WeakPolarHBondContact O-CD 3.49Å; P946-I949 PolarHBondContact O-N 2.62Å; P946-I950 WeakPolarHBondContact O-CD1 3.43Å; P946-I950 VanDerWaalsContact O-CG1 3.27Å; P946-I950 WeakPolarHBondContact O-CG1 3.43Å; P946-I950 PolarHBondContact O-N 3.03Å; P946-L982 HydrophobicContact CB-CD1 4.29Å; P946-L982 HydrophobicContact CG-CD1 4.08Å; P946-I1038 HydrophobicContact CG-CG2 3.39Å; P946-V1042 HydrophobicContact CB-CG2 4.03Å; P946-V1042 HydrophobicContact CG-CG2 3.96Å |
| 947 | T | 76.7 | Confident | 69.7 | Low | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | -179.7 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | T817 M818 S944 L945 I949 I950 L951 | T817-T947 WeakPolarHBondContact CB-OG1 3.36Å; T817-T947 PolarHBondContact OG1-OG1 2.67Å; M818-T947 HydrophobicContact CE-CG2 3.18Å; M818-T947 HydrophobicContact CG-CG2 3.7Å; M818-T947 HydrophobicContact SD-CG2 3.6Å; S944-T947 WeakPolarHBondContact O-CB 3.4Å; S944-T947 PolarHBondContact O-N 2.91Å; L945-T947 PolarHBondContact O-N 3.25Å; T947-I949 VanDerWaalsContact C-N 3.29Å; T947-I949 PolarHBondContact O-N 3.23Å; T947-I950 PolarHBondContact O-N 3.08Å; T947-L951 WeakPolarHBondContact O-CB 3.29Å; T947-L951 PolarHBondContact O-N 3.44Å |
| 948 | I | 72.2 | Confident | 67.2 | Low | 21 Ų | 21 | 23.6 Ų | 23.6 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 173.8 | -65.2 | 169.2 | 0 | 0 | 0 | 110.9 | Q849 L883 L887 S944 L945 L951 S952 | Q849-I948 HydrophobicContact CG-CD1 4.37Å; Q849-I948 HydrophobicContact CG-CG1 4.19Å; L883-I948 HydrophobicContact CD2-CG2 4.36Å; L887-I948 HydrophobicContact CD1-CD1 3.66Å; L887-I948 HydrophobicContact CD2-CD1 3.8Å; L887-I948 HydrophobicContact CG-CD1 4.36Å; S944-I948 WeakPolarHBondContact O-CG1 3.44Å; S944-I948 PolarHBondContact O-N 3.41Å; L945-I948 PolarHBondContact O-N 3.22Å; I948-L951 PolarHBondContact O-N 3.39Å; I948-S952 WeakPolarHBondContact O-CB 3.36Å; I948-S952 PolarHBondContact O-N 3.1Å; I948-S952 PolarHBondContact O-OG 2.83Å |
| 949 | I | 70.6 | Confident | 64.4 | Low | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 177.6 | -65.3 | 162.2 | 0 | 0 | 0 | 111.6 | V874 L945 P946 T947 L951 S952 S953 F978 A981 L982 F985 | V874-I949 HydrophobicContact CG1-CG2 4.27Å; V874-I949 HydrophobicContact CG2-CG2 3.96Å; L945-I949 PolarHBondContact O-N 3.28Å; L945-I949 VanDerWaalsContact O-N 3.13Å; P946-I949 PolarHBondContact O-N 2.62Å; T947-I949 VanDerWaalsContact C-N 3.29Å; T947-I949 PolarHBondContact O-N 3.23Å; I949-L951 VanDerWaalsContact C-N 3.27Å; I949-L951 PolarHBondContact O-N 3.46Å; I949-S952 PolarHBondContact O-N 3.21Å; I949-S952 PolarHBondContact O-OG 3.29Å; I949-S953 PolarHBondContact O-N 3.36Å; I949-S953 VanDerWaalsContact O-N 3.1Å; I949-F978 HydrophobicContact CB-CE2 4.14Å; I949-F978 HydrophobicContact CG2-CD2 3.78Å; I949-F978 HydrophobicContact CG2-CE2 3.64Å; I949-A981 HydrophobicContact CG2-CB 4.45Å; I949-L982 HydrophobicContact CD1-CB 4.09Å; I949-L982 HydrophobicContact CD1-CD1 3.65Å; I949-L982 HydrophobicContact CD1-CG 4.5Å; I949-F985 HydrophobicContact CD1-CB 3.99Å; I949-F985 HydrophobicContact CD1-CD1 3.55Å; I949-F985 HydrophobicContact CD1-CE1 4.4Å; I949-F985 HydrophobicContact CD1-CG 4.2Å; I949-F985 HydrophobicContact CG1-CD1 3.74Å; I949-F985 HydrophobicContact CG1-CE1 4.17Å |
| 950 | I | 68.2 | Low | 61.4 | Low | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 178.1 | -65.3 | 154.1 | 0 | 0 | 0 | 109.6 | V810 Y813 T814 T817 P946 T947 S953 R954 F978 | V810-I950 HydrophobicContact CG1-CG2 4.22Å; Y813-I950 HydrophobicContact CD1-CD1 4.02Å; Y813-I950 HydrophobicContact CD1-CG1 4.37Å; Y813-I950 HydrophobicContact CG-CD1 4.39Å; T814-I950 VanDerWaalsContact OG1-CG2 3.26Å; T814-I950 WeakPolarHBondContact OG1-CG2 3.24Å; T817-I950 HydrophobicContact CG2-CD1 3.55Å; T817-I950 WeakPolarHBondContact OG1-CD1 3.44Å; P946-I950 WeakPolarHBondContact O-CD1 3.43Å; P946-I950 VanDerWaalsContact O-CG1 3.27Å; P946-I950 WeakPolarHBondContact O-CG1 3.43Å; P946-I950 PolarHBondContact O-N 3.03Å; T947-I950 PolarHBondContact O-N 3.08Å; I950-S953 WeakPolarHBondContact O-CB 3.32Å; I950-S953 PolarHBondContact O-N 3.32Å; I950-S953 PolarHBondContact O-OG 2.83Å; I950-R954 PolarHBondContact O-N 2.95Å; I950-F978 HydrophobicContact CD1-CE2 4.46Å; I950-F978 HydrophobicContact CD1-CZ 4.32Å; I950-F978 HydrophobicContact CG1-CE2 3.71Å; I950-F978 HydrophobicContact CG1-CZ 4.04Å |
| 951 | L | 61.9 | Low | 58.8 | Low | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | -179 | -164.3 | 65.2 | 0 | 0 | 0 | 111.6 | H853 T947 I948 I949 S953 R954 | H853-L951 HydrophobicContact CB-CD2 4.16Å; H853-L951 WeakPolarHBondContact CD2-CD1 3.43Å; H853-L951 VanDerWaalsContact CD2-CD2 3.46Å; H853-L951 WeakPolarHBondContact CD2-CD2 3.47Å; H853-L951 WeakPolarHBondContact CD2-CG 3.43Å; H853-L951 PolarHBondContact CE1-O 3.13Å; H853-L951 WeakPolarHBondContact NE2-CD1 3.38Å; H853-L951 WeakPolarHBondContact NE2-CG 3.41Å; T947-L951 WeakPolarHBondContact O-CB 3.29Å; T947-L951 PolarHBondContact O-N 3.44Å; I948-L951 PolarHBondContact O-N 3.39Å; I949-L951 VanDerWaalsContact C-N 3.27Å; I949-L951 PolarHBondContact O-N 3.46Å; L951-S953 VanDerWaalsContact C-N 3.27Å; L951-S953 PolarHBondContact O-N 3.36Å; L951-R954 WeakPolarHBondContact O-CB 3.18Å; L951-R954 PolarHBondContact O-N 2.91Å; L951-R954 VanDerWaalsContact O-N 3.12Å |
| 952 | S | 60.2 | Low | 56.1 | Low | 28 Ų | 28 | 36.6 Ų | 36.6 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -33.6 | 174.8 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | I948 I949 R954 L955 | I948-S952 WeakPolarHBondContact O-CB 3.36Å; I948-S952 PolarHBondContact O-N 3.1Å; I948-S952 PolarHBondContact O-OG 2.83Å; I949-S952 PolarHBondContact O-N 3.21Å; I949-S952 PolarHBondContact O-OG 3.29Å; S952-R954 VanDerWaalsContact C-N 3.32Å; S952-R954 PolarHBondContact O-N 2.53Å; S952-L955 WeakPolarHBondContact O-CB 3.39Å; S952-L955 PolarHBondContact O-N 3.27Å |
| 953 | S | 54.8 | Low | 53.4 | Low | 11 Ų | 11 | 43.2 Ų | 43.2 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 174.5 | 83 | 0 | 0 | 0 | 0 | 113.7 | L872 I949 I950 L951 L955 | L872-S953 WeakPolarHBondContact CD2-OG 3.28Å; I949-S953 PolarHBondContact O-N 3.36Å; I949-S953 VanDerWaalsContact O-N 3.1Å; I950-S953 WeakPolarHBondContact O-CB 3.32Å; I950-S953 PolarHBondContact O-N 3.32Å; I950-S953 PolarHBondContact O-OG 2.83Å; L951-S953 VanDerWaalsContact C-N 3.27Å; L951-S953 PolarHBondContact O-N 3.36Å; S953-L955 VanDerWaalsContact C-N 3.32Å; S953-L955 PolarHBondContact O-N 3.2Å |
| 954 | R | 50.2 | Low | 50.4 | Low | 72 Ų | 72 | 49.6 Ų | 49.6 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.6 | -32.9 | 178.6 | -170.3 | 178.2 | 177.1 | -166.1 | -2.8 | 112.1 | Y811 I950 L951 S952 Y957 | Y811-R954 PolarHBondContact OH-NH2 3.46Å; I950-R954 PolarHBondContact O-N 2.95Å; L951-R954 WeakPolarHBondContact O-CB 3.18Å; L951-R954 PolarHBondContact O-N 2.91Å; L951-R954 VanDerWaalsContact O-N 3.12Å; S952-R954 VanDerWaalsContact C-N 3.32Å; S952-R954 PolarHBondContact O-N 2.53Å; R954-Y957 PolarHBondContact O-N 3.06Å |
| 955 | L | 40.5 | Very low | 47.8 | Very low | 38 Ų | 38 | 54.8 Ų | 54.8 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | -179.8 | -69.7 | 173.9 | 0 | 0 | 0 | 112.6 | H853 A856 I857 S952 S953 Y957 V958 H959 | H853-L955 WeakPolarHBondContact CE1-CD2 3.41Å; H853-L955 WeakPolarHBondContact CE1-CG 3.46Å; H853-L955 WeakPolarHBondContact ND1-CD1 3.41Å; H853-L955 WeakPolarHBondContact ND1-CD2 3.49Å; H853-L955 VanDerWaalsContact ND1-CG 3.26Å; H853-L955 WeakPolarHBondContact ND1-CG 3.45Å; A856-L955 HydrophobicContact CB-CD1 3.51Å; A856-L955 HydrophobicContact CB-CD2 3.7Å; A856-L955 HydrophobicContact CB-CG 4.2Å; I857-L955 HydrophobicContact CB-CD2 4.41Å; I857-L955 HydrophobicContact CD1-CD2 4.07Å; I857-L955 HydrophobicContact CG1-CD2 3.27Å; S952-L955 WeakPolarHBondContact O-CB 3.39Å; S952-L955 PolarHBondContact O-N 3.27Å; S953-L955 VanDerWaalsContact C-N 3.32Å; S953-L955 PolarHBondContact O-N 3.2Å; L955-Y957 PolarHBondContact O-N 3.43Å; L955-V958 PolarHBondContact O-N 2.94Å; L955-V958 VanDerWaalsContact O-N 3.08Å; L955-H959 PolarHBondContact O-N 3.5Å |
| 956 | Q | 37.6 | Very low | 45 | Very low | 83 Ų | 83 | 63.4 Ų | 63.4 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.2 | -20.5 | -172.9 | -134.6 | 167.1 | 14.7 | 0 | 0 | 112.3 | P875 V958 H959 G960 | P875-Q956 VanDerWaalsContact CD-OE1 3.26Å; Q956-V958 VanDerWaalsContact C-N 3.31Å; Q956-H959 PolarHBondContact O-N 3.01Å; Q956-G960 PolarHBondContact O-N 3.16Å |
| 957 | Y | 38 | Very low | 42.4 | Very low | 81 Ų | 81 | 68 Ų | 68 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 170.5 | -158 | -94.1 | 0 | 0 | 0 | 112.5 | Q806 R954 L955 | Q806-Y957 VanDerWaalsContact OE1-CZ 3.28Å; Q806-Y957 PolarHBondContact OE1-OH 2.98Å; R954-Y957 PolarHBondContact O-N 3.06Å; L955-Y957 PolarHBondContact O-N 3.43Å |
| 958 | V | 31.4 | Very low | 40.1 | Very low | 84 Ų | 84 | 75.1 Ų | 75.1 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -76.3 | -35.2 | 171 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | L955 Q956 G960 | L955-V958 PolarHBondContact O-N 2.94Å; L955-V958 VanDerWaalsContact O-N 3.08Å; Q956-V958 VanDerWaalsContact C-N 3.31Å; V958-G960 VanDerWaalsContact C-N 3.32Å; V958-G960 PolarHBondContact O-N 3.32Å |
| 959 | H | 28.3 | Very low | 38 | Very low | 64 Ų | 64 | 84.3 Ų | 84.3 | 30% | 0.296 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -80 | -3.1 | -172.3 | -148.3 | 74.2 | 0 | 0 | 0 | 115.6 | C859 N860 L955 Q956 T961 | C859-H959 PolarHBondContact O-CE1 3.45Å; C859-H959 PolarHBondContact O-ND1 3.47Å; N860-H959 PolarHBondContact ND2-CE1 3.42Å; N860-H959 PolarHBondContact ND2-ND1 2.8Å; L955-H959 PolarHBondContact O-N 3.5Å; Q956-H959 PolarHBondContact O-N 3.01Å; H959-T961 PolarHBondContact O-N 2.9Å |
| 960 | G | 24.3 | Very low | 36.3 | Very low | 38 Ų | 38 | 87.5 Ų | 87.5 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | trans | 37 | 40.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q956 V958 V962 | Q956-G960 PolarHBondContact O-N 3.16Å; V958-G960 VanDerWaalsContact C-N 3.32Å; V958-G960 PolarHBondContact O-N 3.32Å; G960-V962 PolarHBondContact O-N 3.23Å | ||
| 961 | T | 25.7 | Very low | 34.6 | Very low | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | trans | -77.3 | 117.1 | -178.1 | 30.2 | 0 | 0 | 0 | 0 | 108.6 | H959 I963 | H959-T961 PolarHBondContact O-N 2.9Å; T961-I963 PolarHBondContact O-N 3.06Å | ||
| 962 | V | 25.3 | Very low | 33.1 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 69% | 0.685 | 52% | 0.524 | S | S | * | . | trans | -56.7 | 72.2 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | G960 | G960-V962 PolarHBondContact O-N 3.23Š| ||
| 963 | I | 27.3 | Very low | 32.1 | Very low | 140 Ų | 140 | 101.9 Ų | 101.9 | 72% | 0.718 | 53% | 0.531 | S | S | * | . | trans | -96.9 | 104.9 | 164.5 | -57.1 | 179.5 | 0 | 0 | 0 | 106.4 | T961 S965 | T961-I963 PolarHBondContact O-N 3.06Å; I963-S965 VanDerWaalsContact C-N 3.33Å; I963-S965 PolarHBondContact O-N 3.01Å | ||
| 964 | H | 23 | Very low | 31.6 | Very low | 171 Ų | 171 | 101.4 Ų | 101.4 | 79% | 0.792 | 53% | 0.528 | S | S | * | . | trans | -40.7 | 90.2 | 167.8 | -75.9 | -91.1 | 0 | 0 | 0 | 111.6 | H966 | H964-H966 PolarHBondContact O-N 3.24Š| ||
| 965 | S | 25.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 100.9 Ų | 100.9 | 76% | 0.762 | 53% | 0.527 | S | S | * | . | trans | -92.3 | 105.5 | 169.7 | 77 | 0 | 0 | 0 | 0 | 108.1 | I963 S967 | I963-S965 VanDerWaalsContact C-N 3.33Å; I963-S965 PolarHBondContact O-N 3.01Å; S965-S967 PolarHBondContact O-N 3.41Å | ||
| 966 | H | 23.3 | Very low | 31.9 | Very low | 183 Ų | 183 | 103 Ų | 103 | 85% | 0.847 | 53% | 0.534 | S | S | * | . | trans | -36.7 | 127.5 | 164.3 | -81.9 | -82.6 | 0 | 0 | 0 | 111.6 | H964 | H964-H966 PolarHBondContact O-N 3.24Š| ||
| 967 | S | 25.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 103.3 Ų | 103.3 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -50.7 | 149.2 | 168.2 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | S965 | S965-S967 PolarHBondContact O-N 3.41Š|
| 968 | N | 27.4 | Very low | 34.7 | Very low | 151 Ų | 151 | 99.7 Ų | 99.7 | 81% | 0.807 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 101.6 | 0.7 | 143.3 | -74.6 | -12.3 | 0 | 0 | 0 | 124.3 | ||
| 969 | K | 28.8 | Very low | 36.6 | Very low | 215 Ų | 215 | 96.4 Ų | 96.4 | 94% | 0.935 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -135.7 | 4 | 179.2 | -78 | -171.5 | -178.6 | 168.8 | 0 | 121.4 | ||
| 970 | S | 34.3 | Very low | 38.8 | Very low | 69 Ų | 69 | 96.1 Ų | 96.1 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | trans | -142 | 35.3 | -171.9 | 72.8 | 0 | 0 | 0 | 0 | 116.9 | N972 T973 | S970-N972 PolarHBondContact O-N 3.24Å; S970-N972 VanDerWaalsContact O-N 3.11Å; S970-T973 WeakPolarHBondContact CB-OG1 3.43Å; S970-T973 PolarHBondContact O-N 3.5Å; S970-T973 PolarHBondContact O-OG1 2.77Å; S970-T973 PolarHBondContact OG-OG1 3.37Å | ||
| 971 | R | 31.8 | Very low | 41.1 | Very low | 227 Ų | 227 | 94.7 Ų | 94.7 | 86% | 0.857 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -53.3 | -30.3 | 173.3 | -81.8 | -176.6 | 176 | 165.6 | -0.9 | 113.5 | T973 | R971-T973 VanDerWaalsContact C-N 3.3Å; R971-T973 PolarHBondContact O-N 3.35Å |
| 972 | N | 31.5 | Very low | 43.7 | Very low | 60 Ų | 60 | 90.9 Ų | 90.9 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -80.4 | 0.2 | 179.1 | -70.1 | 8.3 | 0 | 0 | 0 | 114.3 | S970 Y976 C1063 V1064 | S970-N972 PolarHBondContact O-N 3.24Å; S970-N972 VanDerWaalsContact O-N 3.11Å; N972-Y976 WeakPolarHBondContact O-CD2 3.41Å; N972-C1063 PolarHBondContact OD1-SG 3.27Å; N972-C1063 VanDerWaalsContact OD1-SG 3.38Å; N972-V1064 PolarHBondContact ND2-OXT 3.27Å |
| 973 | T | 39.8 | Very low | 46.3 | Very low | 56 Ų | 56 | 86 Ų | 86 | 34% | 0.344 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -99.2 | -14 | -166 | 66.6 | 0 | 0 | 0 | 0 | 117.1 | S970 R971 R977 | S970-T973 WeakPolarHBondContact CB-OG1 3.43Å; S970-T973 PolarHBondContact O-N 3.5Å; S970-T973 PolarHBondContact O-OG1 2.77Å; S970-T973 PolarHBondContact OG-OG1 3.37Å; R971-T973 VanDerWaalsContact C-N 3.3Å; R971-T973 PolarHBondContact O-N 3.35Å; T973-R977 WeakPolarHBondContact O-CG 3.38Å; T973-R977 PolarHBondContact O-NE 3.26Å; T973-R977 PolarHBondContact OG1-NH2 3.38Å |
| 974 | S | 44.1 | Very low | 48.9 | Very low | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92.5 | -22.8 | -177 | 116.2 | 0 | 0 | 0 | 0 | 115.6 | L871 L872 H873 Y976 R977 | L871-S974 WeakPolarHBondContact CB-OG 3.45Å; L871-S974 WeakPolarHBondContact CD2-OG 3.34Å; L871-S974 WeakPolarHBondContact CG-OG 3.5Å; L872-S974 PolarHBondContact O-OG 3.26Å; H873-S974 WeakPolarHBondContact NE2-CB 3.33Å; S974-Y976 VanDerWaalsContact C-N 3.31Å; S974-Y976 PolarHBondContact O-N 3.45Å; S974-R977 VanDerWaalsContact O-CB 3.29Å; S974-R977 WeakPolarHBondContact O-CB 3.08Å; S974-R977 PolarHBondContact O-N 2.9Å |
| 975 | F | 44.8 | Very low | 51.7 | Low | 60 Ų | 60 | 72 Ų | 72 | 26% | 0.263 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 174.4 | -102.4 | -95.5 | 0 | 0 | 0 | 111.6 | L871 R977 H1047 C1051 L1054 | L871-F975 HydrophobicContact CD1-CD2 4.11Å; L871-F975 HydrophobicContact CD1-CE2 4.06Å; L871-F975 HydrophobicContact CG-CD2 4.33Å; F975-R977 PolarHBondContact O-N 2.97Å; F975-H1047 AromaticContact CD1-CE1 3.39Å; F975-H1047 WeakPolarHBondContact CD1-CE1 3.33Å; F975-H1047 AromaticContact CD1-NE2 3.75Å; F975-C1051 VanDerWaalsContact CE1-SG 3.59Å; F975-L1054 HydrophobicContact CZ-CD1 3.81Å |
| 976 | Y | 51.6 | Low | 54.7 | Low | 84 Ų | 84 | 67 Ų | 67 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.7 | -21 | 172.4 | -66.5 | -79.1 | 0 | 0 | 0 | 113.1 | N972 S974 D980 | N972-Y976 WeakPolarHBondContact O-CD2 3.41Å; S974-Y976 VanDerWaalsContact C-N 3.31Å; S974-Y976 PolarHBondContact O-N 3.45Å; Y976-D980 VanDerWaalsContact O-CB 3.28Å; Y976-D980 WeakPolarHBondContact O-CB 3.47Å; Y976-D980 PolarHBondContact O-N 3.34Å |
| 977 | R | 63.6 | Low | 57.8 | Low | 88 Ų | 88 | 59 Ų | 59 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.8 | -34.3 | -177.2 | -67.6 | 177.2 | -164.1 | -153.3 | 5 | 113.4 | H873 T973 S974 F975 A981 | H873-R977 PolarHBondContact CE1-NH1 3.5Å; H873-R977 PolarHBondContact ND1-NH1 2.86Å; H873-R977 VanDerWaalsContact ND1-NH1 3.11Å; T973-R977 WeakPolarHBondContact O-CG 3.38Å; T973-R977 PolarHBondContact O-NE 3.26Å; T973-R977 PolarHBondContact OG1-NH2 3.38Å; S974-R977 VanDerWaalsContact O-CB 3.29Å; S974-R977 WeakPolarHBondContact O-CB 3.08Å; S974-R977 PolarHBondContact O-N 2.9Å; F975-R977 PolarHBondContact O-N 2.97Å; R977-A981 WeakPolarHBondContact O-CB 3.48Å; R977-A981 PolarHBondContact O-N 2.73Å |
| 978 | F | 70.1 | Confident | 60.8 | Low | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 177.2 | 171.4 | -102.1 | 0 | 0 | 0 | 111.2 | Y813 L872 V874 I949 I950 A981 L982 V1042 | Y813-F978 HydrophobicContact CD1-CE1 4.48Å; Y813-F978 HydrophobicContact CE1-CD1 4.39Å; Y813-F978 HydrophobicContact CE1-CE1 4.07Å; L872-F978 HydrophobicContact CD2-CB 4.25Å; L872-F978 HydrophobicContact CD2-CD2 3.96Å; L872-F978 HydrophobicContact CD2-CG 4.36Å; V874-F978 HydrophobicContact CG2-CD2 4.42Å; I949-F978 HydrophobicContact CB-CE2 4.14Å; I949-F978 HydrophobicContact CG2-CD2 3.78Å; I949-F978 HydrophobicContact CG2-CE2 3.64Å; I950-F978 HydrophobicContact CD1-CE2 4.46Å; I950-F978 HydrophobicContact CD1-CZ 4.32Å; I950-F978 HydrophobicContact CG1-CE2 3.71Å; I950-F978 HydrophobicContact CG1-CZ 4.04Å; F978-A981 WeakPolarHBondContact O-CB 3.07Å; F978-A981 PolarHBondContact O-N 3.5Å; F978-L982 WeakPolarHBondContact O-CB 3.26Å; F978-L982 PolarHBondContact O-N 3.36Å; F978-V1042 HydrophobicContact CE1-CG1 3.58Å; F978-V1042 HydrophobicContact CZ-CG1 4.05Å |
| 979 | V | 72.7 | Confident | 63.8 | Low | 15 Ų | 15 | 47.8 Ų | 47.8 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -47 | 176.5 | -179 | 0 | 0 | 0 | 0 | 110.4 | A981 L982 D983 V1043 | V979-A981 PolarHBondContact O-N 3.19Å; V979-L982 PolarHBondContact O-N 3.01Å; V979-D983 WeakPolarHBondContact O-CB 3.5Å; V979-D983 PolarHBondContact O-N 3.48Å; V979-V1043 HydrophobicContact CB-CG2 4.5Å; V979-V1043 HydrophobicContact CG1-CG2 3.8Å; V979-V1043 HydrophobicContact CG2-CG2 4Å |
| 980 | D | 73 | Confident | 66.8 | Low | 58 Ų | 58 | 37.6 Ų | 37.6 | 31% | 0.31 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.6 | -37.9 | 175.3 | -71.4 | -12.8 | 0 | 0 | 0 | 111.9 | Y976 L984 | Y976-D980 VanDerWaalsContact O-CB 3.28Å; Y976-D980 WeakPolarHBondContact O-CB 3.47Å; Y976-D980 PolarHBondContact O-N 3.34Å; D980-L984 VanDerWaalsContact O-CB 3.25Å; D980-L984 WeakPolarHBondContact O-CB 3.42Å; D980-L984 PolarHBondContact O-N 3.36Å |
| 981 | A | 73.6 | Confident | 69.6 | Low | 7 Ų | 7 | 34.6 Ų | 34.6 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -50 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V874 I879 I949 R977 F978 V979 D983 L984 F985 | V874-A981 HydrophobicContact CB-CB 4.07Å; V874-A981 HydrophobicContact CG1-CB 3.97Å; V874-A981 HydrophobicContact CG2-CB 4.48Å; I879-A981 HydrophobicContact CD1-CB 3.26Å; I879-A981 WeakPolarHBondContact CD1-O 3.42Å; I949-A981 HydrophobicContact CG2-CB 4.45Å; R977-A981 WeakPolarHBondContact O-CB 3.48Å; R977-A981 PolarHBondContact O-N 2.73Å; F978-A981 WeakPolarHBondContact O-CB 3.07Å; F978-A981 PolarHBondContact O-N 3.5Å; V979-A981 PolarHBondContact O-N 3.19Å; A981-D983 VanDerWaalsContact C-N 3.3Å; A981-D983 PolarHBondContact O-N 3.03Å; A981-L984 PolarHBondContact O-N 3.01Å; A981-F985 WeakPolarHBondContact O-CB 3.34Å; A981-F985 PolarHBondContact O-N 3.47Å |
| 982 | L | 79.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 175.9 | -179.7 | 62.2 | 0 | 0 | 0 | 111.4 | P946 I949 F978 V979 F985 I986 R1039 V1042 | P946-L982 HydrophobicContact CB-CD1 4.29Å; P946-L982 HydrophobicContact CG-CD1 4.08Å; I949-L982 HydrophobicContact CD1-CB 4.09Å; I949-L982 HydrophobicContact CD1-CD1 3.65Å; I949-L982 HydrophobicContact CD1-CG 4.5Å; F978-L982 WeakPolarHBondContact O-CB 3.26Å; F978-L982 PolarHBondContact O-N 3.36Å; V979-L982 PolarHBondContact O-N 3.01Å; L982-F985 PolarHBondContact O-N 3.09Å; L982-I986 HydrophobicContact CD1-CD1 3.94Å; L982-I986 HydrophobicContact CD1-CG1 4.25Å; L982-I986 HydrophobicContact CG-CD1 3.82Å; L982-I986 HydrophobicContact CG-CG1 4.5Å; L982-I986 WeakPolarHBondContact O-CB 3.35Å; L982-I986 VanDerWaalsContact O-CG1 3.28Å; L982-I986 WeakPolarHBondContact O-CG1 3.4Å; L982-I986 PolarHBondContact O-N 2.8Å; L982-R1039 HydrophobicContact CD2-CG 4.41Å; L982-V1042 HydrophobicContact CD2-CB 4.15Å; L982-V1042 HydrophobicContact CD2-CG1 4.01Å |
| 983 | D | 81.4 | Confident | 75.5 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.053 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 178.8 | -66.5 | -9.1 | 0 | 0 | 0 | 111.2 | Y22 V979 A981 F985 I986 W987 R1039 | Y22-D983 PolarHBondContact OH-OD2 3.34Å; V979-D983 WeakPolarHBondContact O-CB 3.5Å; V979-D983 PolarHBondContact O-N 3.48Å; A981-D983 VanDerWaalsContact C-N 3.3Å; A981-D983 PolarHBondContact O-N 3.03Å; D983-F985 PolarHBondContact O-N 3.11Å; D983-I986 PolarHBondContact O-N 3.44Å; D983-W987 PolarHBondContact O-N 2.89Å; D983-R1039 VanDerWaalsContact CG-NE 3.33Å; D983-R1039 WeakPolarHBondContact OD1-CD 3.36Å; D983-R1039 IonicContact OD1-CZ 3.21Å; D983-R1039 IonicContact OD1-NE 3.76Å; D983-R1039 PolarHBondContact OD1-NE 3.31Å; D983-R1039 IonicContact OD1-NH2 3.04Å; D983-R1039 IonicContact OD2-CZ 2.72Å; D983-R1039 IonicContact OD2-NE 3.24Å; D983-R1039 PolarHBondContact OD2-NE 3.14Å; D983-R1039 IonicContact OD2-NH2 3.31Å; D983-R1039 PolarHBondContact OD2-NH2 3.38Å |
| 984 | L | 80.6 | Confident | 78.1 | Confident | 16 Ų | 16 | 19.3 Ų | 19.3 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | 176.7 | -179.9 | 60.2 | 0 | 0 | 0 | 111.2 | I476 Q876 I879 D980 A981 R988 | I476-L984 HydrophobicContact CG2-CD1 3.25Å; Q876-L984 HydrophobicContact CG-CD2 3.88Å; I879-L984 HydrophobicContact CB-CD2 4.5Å; I879-L984 HydrophobicContact CG2-CD2 4.48Å; I879-L984 HydrophobicContact CG2-CG 4.36Å; D980-L984 VanDerWaalsContact O-CB 3.25Å; D980-L984 WeakPolarHBondContact O-CB 3.42Å; D980-L984 PolarHBondContact O-N 3.36Å; A981-L984 PolarHBondContact O-N 3.01Å; L984-R988 HydrophobicContact CD1-CG 4.38Å; L984-R988 WeakPolarHBondContact O-CB 3.48Å; L984-R988 VanDerWaalsContact O-CG 3.25Å; L984-R988 WeakPolarHBondContact O-CG 3.02Å; L984-R988 PolarHBondContact O-N 3.41Å; L984-R988 VanDerWaalsContact O-N 3.12Å |
| 985 | F | 83 | Confident | 80.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.6 | -45.6 | -178.8 | -165.3 | -150.8 | 0 | 0 | 0 | 112.6 | I879 L883 A884 L887 L945 I949 A981 L982 D983 W987 R988 F989 | I879-F985 HydrophobicContact CD1-CB 4.41Å; I879-F985 HydrophobicContact CG2-CB 3.91Å; I879-F985 HydrophobicContact CG2-CD2 3.76Å; I879-F985 HydrophobicContact CG2-CG 4.13Å; L883-F985 HydrophobicContact CB-CE2 4.41Å; L883-F985 HydrophobicContact CD2-CE2 4.09Å; L883-F985 HydrophobicContact CD2-CZ 3.82Å; L883-F985 HydrophobicContact CG-CE2 3.92Å; L883-F985 HydrophobicContact CG-CZ 3.8Å; A884-F985 HydrophobicContact CB-CD2 4.05Å; A884-F985 HydrophobicContact CB-CE2 3.92Å; L887-F985 HydrophobicContact CD1-CE1 3.71Å; L887-F985 HydrophobicContact CD1-CE2 4.12Å; L887-F985 HydrophobicContact CD1-CZ 3.22Å; L887-F985 HydrophobicContact CG-CZ 4.23Å; L945-F985 HydrophobicContact CB-CD1 4.11Å; L945-F985 HydrophobicContact CB-CE1 4.12Å; L945-F985 HydrophobicContact CD2-CD1 3.98Å; L945-F985 HydrophobicContact CD2-CE1 4.23Å; L945-F985 HydrophobicContact CD2-CG 4.5Å; L945-F985 HydrophobicContact CG-CD1 3.77Å; L945-F985 HydrophobicContact CG-CE1 3.62Å; L945-F985 HydrophobicContact CG-CZ 4.4Å; I949-F985 HydrophobicContact CD1-CB 3.99Å; I949-F985 HydrophobicContact CD1-CD1 3.55Å; I949-F985 HydrophobicContact CD1-CE1 4.4Å; I949-F985 HydrophobicContact CD1-CG 4.2Å; I949-F985 HydrophobicContact CG1-CD1 3.74Å; I949-F985 HydrophobicContact CG1-CE1 4.17Å; A981-F985 WeakPolarHBondContact O-CB 3.34Å; A981-F985 PolarHBondContact O-N 3.47Å; L982-F985 PolarHBondContact O-N 3.09Å; D983-F985 PolarHBondContact O-N 3.11Å; F985-W987 VanDerWaalsContact C-N 3.35Å; F985-W987 PolarHBondContact O-N 3.1Å; F985-R988 PolarHBondContact O-N 2.77Å; F985-F989 WeakPolarHBondContact O-CB 3.48Å; F985-F989 PolarHBondContact O-N 3.29Å |
| 986 | I | 88.6 | Confident | 83 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 175.9 | -73.4 | 170.3 | 0 | 0 | 0 | 110.5 | L945 L982 D983 R988 F989 I990 L1035 R1039 | L945-I986 HydrophobicContact CD2-CG1 4.48Å; L982-I986 HydrophobicContact CD1-CD1 3.94Å; L982-I986 HydrophobicContact CD1-CG1 4.25Å; L982-I986 HydrophobicContact CG-CD1 3.82Å; L982-I986 HydrophobicContact CG-CG1 4.5Å; L982-I986 WeakPolarHBondContact O-CB 3.35Å; L982-I986 VanDerWaalsContact O-CG1 3.28Å; L982-I986 WeakPolarHBondContact O-CG1 3.4Å; L982-I986 PolarHBondContact O-N 2.8Å; D983-I986 PolarHBondContact O-N 3.44Å; I986-R988 PolarHBondContact O-N 3.07Å; I986-F989 WeakPolarHBondContact O-CB 2.96Å; I986-F989 PolarHBondContact O-N 2.75Å; I986-I990 HydrophobicContact CG2-CD1 3.82Å; I986-I990 WeakPolarHBondContact O-CG1 3.25Å; I986-I990 PolarHBondContact O-N 2.89Å; I986-L1035 HydrophobicContact CD1-CB 4.49Å; I986-L1035 HydrophobicContact CG1-CB 4.24Å; I986-L1035 HydrophobicContact CG1-CD2 4.46Å; I986-L1035 HydrophobicContact CG2-CB 3.65Å; I986-L1035 HydrophobicContact CG2-CD1 4.23Å; I986-R1039 HydrophobicContact CD1-CB 3.76Å; I986-R1039 HydrophobicContact CD1-CG 4.3Å |
| 987 | W | 88 | Confident | 85.2 | Confident | 17 Ų | 17 | 14.1 Ų | 14.1 | 6% | 0.064 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68 | -36.2 | -176.4 | -70.4 | 120.5 | 0 | 0 | 0 | 112.7 | K29 I33 L472 I476 D983 F985 I990 I991 | K29-W987 HydrophobicContact CB-CD2 4.44Å; K29-W987 HydrophobicContact CB-CE3 4.26Å; K29-W987 HydrophobicContact CB-CH2 3.47Å; K29-W987 VanDerWaalsContact CB-CH2 3.47Å; K29-W987 HydrophobicContact CB-CZ2 3.67Å; K29-W987 HydrophobicContact CB-CZ3 3.76Å; K29-W987 HydrophobicContact CD-CD2 3.85Å; K29-W987 HydrophobicContact CD-CE3 4.41Å; K29-W987 HydrophobicContact CD-CG 4.18Å; K29-W987 HydrophobicContact CD-CH2 4.4Å; K29-W987 HydrophobicContact CD-CZ2 3.83Å; K29-W987 HydrophobicContact CG-CH2 4.46Å; K29-W987 HydrophobicContact CG-CZ2 4.35Å; I33-W987 HydrophobicContact CD1-CH2 3.72Å; I33-W987 HydrophobicContact CD1-CZ3 3.42Å; I33-W987 VanDerWaalsContact CD1-CZ3 3.42Å; I33-W987 HydrophobicContact CG1-CZ3 4.19Å; L472-W987 HydrophobicContact CD1-CE3 3.82Å; L472-W987 HydrophobicContact CD1-CZ3 3.98Å; I476-W987 HydrophobicContact CD1-CB 3.33Å; I476-W987 HydrophobicContact CD1-CG 4.46Å; I476-W987 HydrophobicContact CG1-CB 3.72Å; I476-W987 HydrophobicContact CG1-CG 4.44Å; D983-W987 PolarHBondContact O-N 2.89Å; F985-W987 VanDerWaalsContact C-N 3.35Å; F985-W987 PolarHBondContact O-N 3.1Å; W987-I990 HydrophobicContact CE3-CD1 3.93Å; W987-I990 HydrophobicContact CZ3-CD1 4.01Å; W987-I990 PolarHBondContact O-N 2.83Å; W987-I991 WeakPolarHBondContact O-CG1 3.37Å; W987-I991 PolarHBondContact O-N 2.87Å |
| 988 | R | 88.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 10.9 Ų | 10.9 | 3% | 0.034 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.1 | -36.9 | 173.2 | -73.5 | 179.5 | 171.5 | 173 | -0.6 | 112.8 | I476 E477 I879 W881 A884 L984 F985 I986 S992 | I476-R988 HydrophobicContact CD1-CG 4.42Å; E477-R988 IonicContact OE1-NH2 3.62Å; I879-R988 PolarHBondContact O-NH1 3.44Å; W881-R988 HydrophobicContact CD2-CB 4.49Å; W881-R988 HydrophobicContact CD2-CG 3.95Å; W881-R988 HydrophobicContact CE3-CB 3.96Å; W881-R988 HydrophobicContact CE3-CG 3.85Å; W881-R988 HydrophobicContact CH2-CB 4.27Å; W881-R988 HydrophobicContact CH2-CG 3.75Å; W881-R988 HydrophobicContact CZ2-CG 3.81Å; W881-R988 HydrophobicContact CZ3-CB 3.84Å; W881-R988 HydrophobicContact CZ3-CG 3.76Å; A884-R988 HydrophobicContact CB-CB 3.72Å; L984-R988 HydrophobicContact CD1-CG 4.38Å; L984-R988 WeakPolarHBondContact O-CB 3.48Å; L984-R988 VanDerWaalsContact O-CG 3.25Å; L984-R988 WeakPolarHBondContact O-CG 3.02Å; L984-R988 PolarHBondContact O-N 3.41Å; L984-R988 VanDerWaalsContact O-N 3.12Å; F985-R988 PolarHBondContact O-N 2.77Å; I986-R988 PolarHBondContact O-N 3.07Å; R988-S992 WeakPolarHBondContact O-CB 3.46Å; R988-S992 PolarHBondContact O-N 3.11Å; R988-S992 PolarHBondContact O-OG 3.44Å |
| 989 | F | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64 | -47.6 | 173.7 | -175.8 | -86.9 | 0 | 0 | 0 | 111 | L887 C888 D891 L945 F985 I986 I991 S992 K993 L1035 | L887-F989 HydrophobicContact CB-CD2 4.11Å; L887-F989 HydrophobicContact CB-CE2 4.03Å; C888-F989 HydrophobicContact CB-CE2 4.49Å; D891-F989 HydrophobicContact CB-CE2 4.26Å; D891-F989 HydrophobicContact CB-CZ 3.97Å; L945-F989 HydrophobicContact CD2-CB 4.4Å; L945-F989 HydrophobicContact CD2-CG 4.44Å; F985-F989 WeakPolarHBondContact O-CB 3.48Å; F985-F989 PolarHBondContact O-N 3.29Å; I986-F989 WeakPolarHBondContact O-CB 2.96Å; I986-F989 PolarHBondContact O-N 2.75Å; F989-I991 PolarHBondContact O-N 3.15Å; F989-S992 WeakPolarHBondContact O-CB 3.42Å; F989-S992 PolarHBondContact O-N 3.4Å; F989-S992 VanDerWaalsContact O-N 3.1Å; F989-K993 HydrophobicContact CD1-CG 4.1Å; F989-K993 HydrophobicContact CE1-CD 4.32Å; F989-K993 HydrophobicContact CE1-CG 3.74Å; F989-K993 HydrophobicContact CZ-CD 4.36Å; F989-K993 HydrophobicContact CZ-CG 4.22Å; F989-K993 PolarHBondContact O-N 3.39Å; F989-L1035 HydrophobicContact CD1-CD1 3.46Å; F989-L1035 VanDerWaalsContact CD1-CD1 3.46Å; F989-L1035 HydrophobicContact CE1-CD1 3.99Å; F989-L1035 HydrophobicContact CG-CD1 4.3Å |
| 990 | I | 92.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 176.4 | -68.5 | 170 | 0 | 0 | 0 | 110.8 | L472 I986 W987 S992 K993 S994 L1028 L1035 | L472-I990 HydrophobicContact CD2-CG2 4.06Å; I986-I990 HydrophobicContact CG2-CD1 3.82Å; I986-I990 WeakPolarHBondContact O-CG1 3.25Å; I986-I990 PolarHBondContact O-N 2.89Å; W987-I990 HydrophobicContact CE3-CD1 3.93Å; W987-I990 HydrophobicContact CZ3-CD1 4.01Å; W987-I990 PolarHBondContact O-N 2.83Å; I990-S992 VanDerWaalsContact C-N 3.29Å; I990-S992 PolarHBondContact O-N 2.82Å; I990-K993 PolarHBondContact O-N 2.87Å; I990-S994 PolarHBondContact O-N 2.87Å; I990-S994 PolarHBondContact O-OG 2.95Å; I990-S994 VanDerWaalsContact O-OG 3.08Å; I990-L1028 HydrophobicContact CG2-CD1 4.41Å; I990-L1035 HydrophobicContact CD1-CD1 4.38Å; I990-L1035 HydrophobicContact CG1-CD1 3.9Å |
| 991 | I | 92.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 7.4 Ų | 7.4 | 4% | 0.036 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 175 | -75.8 | 177 | 0 | 0 | 0 | 111.4 | L469 L472 L473 I476 W881 W987 F989 K993 S994 V995 | L469-I991 HydrophobicContact CD1-CG2 3.88Å; L472-I991 HydrophobicContact CB-CD1 4.38Å; L472-I991 HydrophobicContact CB-CG1 4.23Å; L472-I991 HydrophobicContact CD2-CD1 4.35Å; L472-I991 HydrophobicContact CD2-CG1 3.49Å; L472-I991 VanDerWaalsContact CD2-CG1 3.49Å; L472-I991 HydrophobicContact CG-CD1 3.92Å; L472-I991 HydrophobicContact CG-CG1 3.61Å; L473-I991 HydrophobicContact CB-CD1 4.16Å; L473-I991 HydrophobicContact CD1-CD1 4.15Å; I476-I991 HydrophobicContact CD1-CD1 3.18Å; I476-I991 HydrophobicContact CD1-CG1 4.12Å; I476-I991 HydrophobicContact CG1-CD1 4.28Å; W881-I991 HydrophobicContact CH2-CB 4.23Å; W881-I991 HydrophobicContact CH2-CD1 3.79Å; W881-I991 HydrophobicContact CH2-CG2 3.87Å; W881-I991 HydrophobicContact CZ3-CB 4.24Å; W881-I991 HydrophobicContact CZ3-CG2 3.88Å; W987-I991 WeakPolarHBondContact O-CG1 3.37Å; W987-I991 PolarHBondContact O-N 2.87Å; F989-I991 PolarHBondContact O-N 3.15Å; I991-K993 VanDerWaalsContact C-N 3.3Å; I991-K993 PolarHBondContact O-N 3.11Å; I991-S994 WeakPolarHBondContact O-CB 3.44Å; I991-S994 PolarHBondContact O-N 3.31Å; I991-S994 VanDerWaalsContact O-N 3.14Å; I991-V995 WeakPolarHBondContact O-CG2 3.4Å; I991-V995 PolarHBondContact O-N 3.41Å |
| 992 | S | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | C888 R988 F989 I990 V995 L996 | C888-S992 VanDerWaalsContact SG-CB 3.59Å; R988-S992 WeakPolarHBondContact O-CB 3.46Å; R988-S992 PolarHBondContact O-N 3.11Å; R988-S992 PolarHBondContact O-OG 3.44Å; F989-S992 WeakPolarHBondContact O-CB 3.42Å; F989-S992 PolarHBondContact O-N 3.4Å; F989-S992 VanDerWaalsContact O-N 3.1Å; I990-S992 VanDerWaalsContact C-N 3.29Å; I990-S992 PolarHBondContact O-N 2.82Å; S992-V995 PolarHBondContact O-N 2.83Å; S992-L996 PolarHBondContact O-N 3.23Å |
| 993 | K | 94 | Very high | 92.2 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.017 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 173.9 | -68 | -67.8 | -65.2 | -176.8 | 0 | 112.7 | D891 F989 I990 I991 V995 L996 T997 S1027 L1028 | D891-K993 WeakPolarHBondContact OD1-CE 3.45Å; D891-K993 IonicContact OD1-NZ 3.69Å; D891-K993 PolarHBondContact OD1-NZ 2.89Å; F989-K993 HydrophobicContact CD1-CG 4.1Å; F989-K993 HydrophobicContact CE1-CD 4.32Å; F989-K993 HydrophobicContact CE1-CG 3.74Å; F989-K993 HydrophobicContact CZ-CD 4.36Å; F989-K993 HydrophobicContact CZ-CG 4.22Å; F989-K993 PolarHBondContact O-N 3.39Å; I990-K993 PolarHBondContact O-N 2.87Å; I991-K993 VanDerWaalsContact C-N 3.3Å; I991-K993 PolarHBondContact O-N 3.11Å; K993-V995 VanDerWaalsContact C-N 3.33Å; K993-V995 PolarHBondContact O-N 2.97Å; K993-L996 PolarHBondContact O-N 3.3Å; K993-T997 PolarHBondContact O-N 3.12Å; K993-T997 PolarHBondContact O-OG1 2.94Å; K993-S1027 VanDerWaalsContact CE-OG 3.25Å; K993-S1027 WeakPolarHBondContact CE-OG 3.31Å; K993-S1027 PolarHBondContact NZ-OG 2.7Å; K993-L1028 HydrophobicContact CB-CD1 3.86Å |
| 994 | S | 95.1 | Very high | 92.8 | Very high | 18 Ų | 18 | 9.9 Ų | 9.9 | 13% | 0.126 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 174.7 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | I990 I991 T997 L998 | I990-S994 PolarHBondContact O-N 2.87Å; I990-S994 PolarHBondContact O-OG 2.95Å; I990-S994 VanDerWaalsContact O-OG 3.08Å; I991-S994 WeakPolarHBondContact O-CB 3.44Å; I991-S994 PolarHBondContact O-N 3.31Å; I991-S994 VanDerWaalsContact O-N 3.14Å; S994-T997 PolarHBondContact O-N 3.3Å; S994-L998 VanDerWaalsContact O-CB 3.29Å; S994-L998 WeakPolarHBondContact O-CB 3.47Å; S994-L998 PolarHBondContact O-N 2.97Å |
| 995 | V | 95.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 9.3 Ų | 9.3 | 19% | 0.194 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L469 L555 S559 I991 S992 K993 L998 G999 | L469-V995 HydrophobicContact CD1-CG2 4Å; L469-V995 HydrophobicContact CD2-CG2 3.86Å; L555-V995 HydrophobicContact CD2-CB 3.92Å; L555-V995 HydrophobicContact CD2-CG1 3.9Å; L555-V995 HydrophobicContact CD2-CG2 4.12Å; L555-V995 HydrophobicContact CG-CB 4.36Å; L555-V995 HydrophobicContact CG-CG1 3.95Å; S559-V995 PolarHBondContact OG-O 2.95Å; I991-V995 WeakPolarHBondContact O-CG2 3.4Å; I991-V995 PolarHBondContact O-N 3.41Å; S992-V995 PolarHBondContact O-N 2.83Å; K993-V995 VanDerWaalsContact C-N 3.33Å; K993-V995 PolarHBondContact O-N 2.97Å; V995-L998 PolarHBondContact O-N 3.37Å; V995-G999 PolarHBondContact O-N 3.36Å |
| 996 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.7 | -64.8 | -177.1 | 0 | 0 | 0 | 111.2 | L555 L558 Y562 S992 K993 L998 G999 C1000 | L555-L996 HydrophobicContact CD1-CD1 4.41Å; L555-L996 HydrophobicContact CD1-CD2 3.72Å; L555-L996 HydrophobicContact CD1-CG 3.92Å; L558-L996 HydrophobicContact CB-CD2 4.24Å; L558-L996 HydrophobicContact CD2-CD1 4.24Å; L558-L996 HydrophobicContact CD2-CD2 3.84Å; L558-L996 HydrophobicContact CG-CD2 3.97Å; Y562-L996 HydrophobicContact CE2-CB 4.38Å; Y562-L996 HydrophobicContact CE2-CD2 4.28Å; S992-L996 PolarHBondContact O-N 3.23Å; K993-L996 PolarHBondContact O-N 3.3Å; L996-L998 VanDerWaalsContact C-N 3.33Å; L996-L998 PolarHBondContact O-N 3.39Å; L996-G999 WeakPolarHBondContact O-CA 3.38Å; L996-G999 PolarHBondContact O-N 2.98Å; L996-C1000 PolarHBondContact O-N 3.08Å; L996-C1000 PolarHBondContact O-SG 3.33Å |
| 997 | T | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | I40 K993 S994 G999 C1000 M1001 S1024 M1025 L1028 | I40-T997 HydrophobicContact CD1-CG2 4.21Å; K993-T997 PolarHBondContact O-N 3.12Å; K993-T997 PolarHBondContact O-OG1 2.94Å; S994-T997 PolarHBondContact O-N 3.3Å; T997-G999 VanDerWaalsContact C-N 3.29Å; T997-G999 PolarHBondContact O-N 3.16Å; T997-C1000 WeakPolarHBondContact O-CB 3.35Å; T997-C1000 PolarHBondContact O-N 2.98Å; T997-M1001 WeakPolarHBondContact O-CG 3.44Å; T997-M1001 PolarHBondContact O-N 3.27Å; T997-S1024 VanDerWaalsContact CA-OG 3.3Å; T997-S1024 WeakPolarHBondContact CA-OG 3.08Å; T997-S1024 PolarHBondContact OG1-O 2.79Å; T997-S1024 PolarHBondContact OG1-OG 3.35Å; T997-M1025 HydrophobicContact CG2-CB 4.31Å; T997-L1028 HydrophobicContact CG2-CD2 4.18Å |
| 998 | L | 96.9 | Very high | 94 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 11% | 0.11 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 172.9 | 176.6 | 65 | 0 | 0 | 0 | 111.6 | L462 T466 L469 S994 V995 L996 M1001 L1002 | L462-L998 HydrophobicContact CD2-CD1 4.25Å; T466-L998 HydrophobicContact CG2-CD1 3.7Å; T466-L998 HydrophobicContact CG2-CD2 3.65Å; T466-L998 HydrophobicContact CG2-CG 4.3Å; L469-L998 HydrophobicContact CD2-CD2 3.86Å; S994-L998 VanDerWaalsContact O-CB 3.29Å; S994-L998 WeakPolarHBondContact O-CB 3.47Å; S994-L998 PolarHBondContact O-N 2.97Å; V995-L998 PolarHBondContact O-N 3.37Å; L996-L998 VanDerWaalsContact C-N 3.33Å; L996-L998 PolarHBondContact O-N 3.39Å; L998-M1001 PolarHBondContact O-N 3.28Å; L998-L1002 HydrophobicContact CD1-CD1 4.4Å; L998-L1002 HydrophobicContact CD1-CG 4.33Å; L998-L1002 HydrophobicContact CG-CD1 4.09Å; L998-L1002 HydrophobicContact CG-CG 4.47Å; L998-L1002 WeakPolarHBondContact O-CB 3.25Å; L998-L1002 VanDerWaalsContact O-CG 3.3Å; L998-L1002 WeakPolarHBondContact O-CG 3.47Å; L998-L1002 PolarHBondContact O-N 3.45Å |
| 999 | G | 96.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | S559 V995 L996 T997 L1002 S1003 | S559-G999 VanDerWaalsContact OG-CA 3.24Å; S559-G999 WeakPolarHBondContact OG-CA 3.39Å; V995-G999 PolarHBondContact O-N 3.36Å; L996-G999 WeakPolarHBondContact O-CA 3.38Å; L996-G999 PolarHBondContact O-N 2.98Å; T997-G999 VanDerWaalsContact C-N 3.29Å; T997-G999 PolarHBondContact O-N 3.16Å; G999-L1002 PolarHBondContact O-N 3.25Å; G999-S1003 WeakPolarHBondContact O-CB 3.32Å; G999-S1003 PolarHBondContact O-N 2.95Å; G999-S1003 PolarHBondContact O-OG 3.26Å |
| 1000 | C | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | Y562 L996 T997 S1003 T1004 H1020 L1021 S1024 | Y562-C1000 VanDerWaalsContact CD2-SG 3.58Å; Y562-C1000 VanDerWaalsContact CE2-SG 3.59Å; L996-C1000 PolarHBondContact O-N 3.08Å; L996-C1000 PolarHBondContact O-SG 3.33Å; T997-C1000 WeakPolarHBondContact O-CB 3.35Å; T997-C1000 PolarHBondContact O-N 2.98Å; C1000-S1003 WeakPolarHBondContact CA-OG 3.4Å; C1000-S1003 PolarHBondContact O-OG 2.81Å; C1000-T1004 WeakPolarHBondContact O-CB 3.18Å; C1000-T1004 PolarHBondContact O-N 3.26Å; C1000-T1004 PolarHBondContact O-OG1 3.27Å; C1000-H1020 PolarHBondContact SG-CE1 2.91Å; C1000-H1020 PolarHBondContact SG-ND1 3.49Å; C1000-L1021 HydrophobicContact CB-CB 4.32Å; C1000-L1021 HydrophobicContact CB-CD1 3.95Å; C1000-S1024 VanDerWaalsContact SG-CB 3.56Å |
| 1001 | M | 97.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 176 | -67.2 | 173.8 | 70.6 | 0 | 0 | 111.4 | I40 F43 L462 T465 T997 L998 G1005 L1021 | I40-M1001 HydrophobicContact CG1-CE 4.21Å; I40-M1001 HydrophobicContact CG1-SD 3.74Å; F43-M1001 HydrophobicContact CB-CE 3.54Å; F43-M1001 HydrophobicContact CD1-CE 4.42Å; F43-M1001 HydrophobicContact CD2-CB 4.36Å; F43-M1001 HydrophobicContact CD2-CE 3.76Å; F43-M1001 HydrophobicContact CE2-CB 4.09Å; F43-M1001 VanDerWaalsContact CE2-O 3.24Å; F43-M1001 WeakPolarHBondContact CE2-O 3.43Å; F43-M1001 HydrophobicContact CG-CE 3.66Å; F43-M1001 HydrophobicContact CZ-CB 4.3Å; F43-M1001 WeakPolarHBondContact CZ-O 3.27Å; L462-M1001 HydrophobicContact CD2-CB 3.6Å; L462-M1001 HydrophobicContact CD2-CE 4.4Å; T465-M1001 HydrophobicContact CG2-CE 3.68Å; T465-M1001 HydrophobicContact CG2-SD 3.74Å; T997-M1001 WeakPolarHBondContact O-CG 3.44Å; T997-M1001 PolarHBondContact O-N 3.27Å; L998-M1001 PolarHBondContact O-N 3.28Å; M1001-G1005 PolarHBondContact O-N 3.2Å; M1001-L1021 HydrophobicContact CB-CD1 4.34Å; M1001-L1021 HydrophobicContact CG-CD1 3.47Å; M1001-L1021 VanDerWaalsContact CG-CD1 3.47Å |
| 1002 | L | 96.6 | Very high | 92.3 | Very high | 70 Ų | 70 | 40 Ų | 40 | 37% | 0.366 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.9 | -48.9 | 178.9 | -76.4 | 168.5 | 0 | 0 | 0 | 111.3 | L462 L998 G999 G1005 L1006 | L462-L1002 HydrophobicContact CD1-CD2 3.99Å; L462-L1002 HydrophobicContact CD2-CD2 3.72Å; L462-L1002 HydrophobicContact CD2-CG 3.88Å; L462-L1002 HydrophobicContact CG-CD2 4.38Å; L998-L1002 HydrophobicContact CD1-CD1 4.4Å; L998-L1002 HydrophobicContact CD1-CG 4.33Å; L998-L1002 HydrophobicContact CG-CD1 4.09Å; L998-L1002 HydrophobicContact CG-CG 4.47Å; L998-L1002 WeakPolarHBondContact O-CB 3.25Å; L998-L1002 VanDerWaalsContact O-CG 3.3Å; L998-L1002 WeakPolarHBondContact O-CG 3.47Å; L998-L1002 PolarHBondContact O-N 3.45Å; G999-L1002 PolarHBondContact O-N 3.25Å; L1002-G1005 PolarHBondContact O-N 3.33Å; L1002-L1006 WeakPolarHBondContact O-CB 3.35Å; L1002-L1006 VanDerWaalsContact O-CG 3.27Å; L1002-L1006 WeakPolarHBondContact O-CG 3.23Å; L1002-L1006 PolarHBondContact O-N 2.85Å |
| 1003 | S | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -49.6 | 177.6 | 53.7 | 0 | 0 | 0 | 0 | 112 | Y562 G999 C1000 G1005 L1006 L1007 | Y562-S1003 WeakPolarHBondContact O-CB 3.34Å; G999-S1003 WeakPolarHBondContact O-CB 3.32Å; G999-S1003 PolarHBondContact O-N 2.95Å; G999-S1003 PolarHBondContact O-OG 3.26Å; C1000-S1003 WeakPolarHBondContact CA-OG 3.4Å; C1000-S1003 PolarHBondContact O-OG 2.81Å; S1003-G1005 VanDerWaalsContact C-N 3.32Å; S1003-G1005 PolarHBondContact O-N 3.23Å; S1003-L1006 PolarHBondContact O-N 3.21Å; S1003-L1007 VanDerWaalsContact O-CB 3.24Å; S1003-L1007 WeakPolarHBondContact O-CB 3.32Å; S1003-L1007 PolarHBondContact O-N 2.73Å |
| 1004 | T | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | F43 F47 C1000 L1007 R1008 F1017 L1021 | F43-T1004 HydrophobicContact CE1-CG2 4.35Å; F43-T1004 HydrophobicContact CZ-CG2 4.4Å; F47-T1004 HydrophobicContact CD1-CG2 4.16Å; F47-T1004 HydrophobicContact CD2-CG2 3.91Å; F47-T1004 HydrophobicContact CE1-CG2 3.62Å; F47-T1004 HydrophobicContact CE2-CG2 3.34Å; F47-T1004 HydrophobicContact CG-CG2 4.29Å; F47-T1004 HydrophobicContact CZ-CG2 3.18Å; C1000-T1004 WeakPolarHBondContact O-CB 3.18Å; C1000-T1004 PolarHBondContact O-N 3.26Å; C1000-T1004 PolarHBondContact O-OG1 3.27Å; T1004-L1007 CarbonylContact O-C 3.6Å; T1004-R1008 VanDerWaalsContact O-CA 3.31Å; T1004-R1008 WeakPolarHBondContact O-CA 3.3Å; T1004-R1008 WeakPolarHBondContact O-CB 3.4Å; T1004-R1008 PolarHBondContact O-N 3.05Å; T1004-F1017 HydrophobicContact CG2-CB 4.42Å; T1004-F1017 PolarHBondContact OG1-O 3.43Å; T1004-L1021 HydrophobicContact CG2-CD2 4Å |
| 1005 | G | 93.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1001 L1002 S1003 R1008 | M1001-G1005 PolarHBondContact O-N 3.2Å; L1002-G1005 PolarHBondContact O-N 3.33Å; S1003-G1005 VanDerWaalsContact C-N 3.32Å; S1003-G1005 PolarHBondContact O-N 3.23Å; G1005-R1008 VanDerWaalsContact O-CD 3.29Å; G1005-R1008 WeakPolarHBondContact O-CD 3.04Å; G1005-R1008 WeakPolarHBondContact O-CG 3.38Å; G1005-R1008 PolarHBondContact O-NH1 2.98Å |
| 1006 | L | 93.6 | Very high | 89.8 | Confident | 118 Ų | 118 | 42.4 Ų | 42.4 | 62% | 0.618 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -70.3 | -40.1 | 178 | -70.4 | 174.3 | 0 | 0 | 0 | 112 | L563 L1002 S1003 | L563-L1006 HydrophobicContact CD2-CD1 3.83Å; L1002-L1006 WeakPolarHBondContact O-CB 3.35Å; L1002-L1006 VanDerWaalsContact O-CG 3.27Å; L1002-L1006 WeakPolarHBondContact O-CG 3.23Å; L1002-L1006 PolarHBondContact O-N 2.85Å; S1003-L1006 PolarHBondContact O-N 3.21Å |
| 1007 | L | 90.9 | Very high | 89.5 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 21 | -176.3 | -60.2 | 168 | 0 | 0 | 0 | 112.5 | L563 S1003 T1004 R1009 H1010 F1017 | L563-L1007 WeakPolarHBondContact O-CD1 3.48Å; S1003-L1007 VanDerWaalsContact O-CB 3.24Å; S1003-L1007 WeakPolarHBondContact O-CB 3.32Å; S1003-L1007 PolarHBondContact O-N 2.73Å; T1004-L1007 CarbonylContact O-C 3.6Å; L1007-R1009 PolarHBondContact O-N 3.08Å; L1007-R1009 VanDerWaalsContact O-N 3.08Å; L1007-H1010 HydrophobicContact CB-CB 3.93Å; L1007-H1010 WeakPolarHBondContact O-CB 3.28Å; L1007-H1010 PolarHBondContact O-N 3.17Å; L1007-F1017 HydrophobicContact CB-CD2 4.12Å; L1007-F1017 HydrophobicContact CB-CE1 4.49Å; L1007-F1017 HydrophobicContact CB-CE2 3.84Å; L1007-F1017 HydrophobicContact CB-CZ 4.1Å; L1007-F1017 HydrophobicContact CD1-CD1 4.29Å; L1007-F1017 HydrophobicContact CD1-CE1 3.45Å; L1007-F1017 VanDerWaalsContact CD1-CE1 3.45Å; L1007-F1017 HydrophobicContact CD1-CE2 3.82Å; L1007-F1017 HydrophobicContact CD1-CZ 3.19Å; L1007-F1017 HydrophobicContact CG-CE2 4.4Å; L1007-F1017 HydrophobicContact CG-CZ 4.21Å |
| 1008 | R | 88.6 | Confident | 89.1 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 18% | 0.181 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26 | -179.8 | 68.6 | -168.3 | 177.1 | -68.4 | 0.2 | 114.5 | F47 F453 D455 T1004 G1005 | F47-R1008 HydrophobicContact CD2-CB 4.13Å; F47-R1008 HydrophobicContact CE2-CB 3.86Å; F453-R1008 HydrophobicContact CD1-CB 4.33Å; F453-R1008 HydrophobicContact CD2-CB 4.15Å; F453-R1008 HydrophobicContact CD2-CG 3.82Å; F453-R1008 HydrophobicContact CE1-CB 4.15Å; F453-R1008 HydrophobicContact CE2-CB 3.97Å; F453-R1008 HydrophobicContact CE2-CG 4.01Å; F453-R1008 WeakPolarHBondContact CE2-O 3.27Å; F453-R1008 HydrophobicContact CG-CB 4.32Å; F453-R1008 HydrophobicContact CG-CG 4.18Å; F453-R1008 HydrophobicContact CZ-CB 3.97Å; F453-R1008 WeakPolarHBondContact CZ-O 3.16Å; D455-R1008 IonicContact OD1-CZ 3.39Å; D455-R1008 IonicContact OD1-NE 3.43Å; D455-R1008 PolarHBondContact OD1-NE 3.26Å; D455-R1008 IonicContact OD1-NH2 2.56Å; D455-R1008 PolarHBondContact OD1-NH2 3.48Å; D455-R1008 IonicContact OD2-CZ 3.66Å; D455-R1008 IonicContact OD2-NH2 3.24Å; D455-R1008 PolarHBondContact OD2-NH2 3.14Å; T1004-R1008 VanDerWaalsContact O-CA 3.31Å; T1004-R1008 WeakPolarHBondContact O-CA 3.3Å; T1004-R1008 WeakPolarHBondContact O-CB 3.4Å; T1004-R1008 PolarHBondContact O-N 3.05Å; G1005-R1008 VanDerWaalsContact O-CD 3.29Å; G1005-R1008 WeakPolarHBondContact O-CD 3.04Å; G1005-R1008 WeakPolarHBondContact O-CG 3.38Å; G1005-R1008 PolarHBondContact O-NH1 2.98Å |
| 1009 | R | 84.7 | Confident | 88.7 | Confident | 199 Ų | 199 | 41.7 Ų | 41.7 | 75% | 0.751 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 7.2 | 176.4 | -57.5 | -173.8 | -175.7 | -176.9 | 0.8 | 113.3 | F453 L1007 | F453-R1009 HydrophobicContact CE2-CG 4.32Å; L1007-R1009 PolarHBondContact O-N 3.08Å; L1007-R1009 VanDerWaalsContact O-N 3.08Å |
| 1010 | H | 85.3 | Confident | 88.6 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 29% | 0.292 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -72.2 | 143.1 | 177 | -174.5 | -86.6 | 0 | 0 | 0 | 109.9 | N565 L1007 M1012 V1013 F1017 | N565-H1010 VanDerWaalsContact CG-CE1 3.49Å; N565-H1010 PolarHBondContact ND2-CE1 2.94Å; N565-H1010 PolarHBondContact ND2-NE2 3.06Å; N565-H1010 PolarHBondContact OD1-CE1 3.42Å; L1007-H1010 HydrophobicContact CB-CB 3.93Å; L1007-H1010 WeakPolarHBondContact O-CB 3.28Å; L1007-H1010 PolarHBondContact O-N 3.17Å; H1010-M1012 PolarHBondContact ND1-N 2.94Å; H1010-M1012 PolarHBondContact O-N 3.42Å; H1010-M1012 VanDerWaalsContact O-N 3.13Å; H1010-V1013 VanDerWaalsContact O-CB 3.32Å; H1010-V1013 WeakPolarHBondContact O-CB 3.45Å; H1010-V1013 VanDerWaalsContact O-CG1 3.31Å; H1010-V1013 WeakPolarHBondContact O-CG1 3.49Å; H1010-V1013 PolarHBondContact O-N 3.01Å; H1010-F1017 HydrophobicContact CB-CE2 4.16Å; H1010-F1017 AromaticContact CG-CE2 3.92Å; H1010-F1017 AromaticContact ND1-CE2 3.72Å |
| 1011 | L | 76.2 | Confident | 88.5 | Confident | 148 Ų | 148 | 42 Ų | 42 | 78% | 0.775 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -40.7 | -178.3 | -176.2 | 67.9 | 0 | 0 | 0 | 112.7 | V1013 | L1011-V1013 PolarHBondContact O-N 3.43Š|
| 1012 | M | 82.3 | Confident | 88.2 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 18.8 | -178.4 | -59 | -67.4 | 178.3 | 0 | 0 | 114.7 | H1010 W1014 K1015 I1016 | H1010-M1012 PolarHBondContact ND1-N 2.94Å; H1010-M1012 PolarHBondContact O-N 3.42Å; H1010-M1012 VanDerWaalsContact O-N 3.13Å; M1012-W1014 VanDerWaalsContact C-N 3.34Å; M1012-W1014 PolarHBondContact O-N 3.11Å; M1012-K1015 PolarHBondContact O-N 3.22Å; M1012-K1015 HydrophobicContact SD-CB 4.45Å; M1012-K1015 HydrophobicContact SD-CD 4.28Å; M1012-I1016 HydrophobicContact CB-CB 4.28Å; M1012-I1016 HydrophobicContact CB-CD1 3.7Å; M1012-I1016 HydrophobicContact CB-CG1 3.95Å; M1012-I1016 HydrophobicContact CG-CD1 4Å; M1012-I1016 WeakPolarHBondContact O-CB 3.21Å; M1012-I1016 PolarHBondContact O-N 3.27Å |
| 1013 | V | 83.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -57.8 | -43.5 | -178.1 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | F47 H1010 L1011 F1017 A1018 | F47-V1013 HydrophobicContact CE2-CG2 3.85Å; F47-V1013 HydrophobicContact CZ-CG2 3.67Å; H1010-V1013 VanDerWaalsContact O-CB 3.32Å; H1010-V1013 WeakPolarHBondContact O-CB 3.45Å; H1010-V1013 VanDerWaalsContact O-CG1 3.31Å; H1010-V1013 WeakPolarHBondContact O-CG1 3.49Å; H1010-V1013 PolarHBondContact O-N 3.01Å; L1011-V1013 PolarHBondContact O-N 3.43Å; V1013-F1017 HydrophobicContact CG2-CB 4.48Å; V1013-F1017 PolarHBondContact O-N 2.88Å; V1013-A1018 WeakPolarHBondContact O-CB 3.39Å; V1013-A1018 PolarHBondContact O-N 3.44Å |
| 1014 | W | 77.5 | Confident | 88.1 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -84.2 | -24.2 | -175.9 | -58 | 115.1 | 0 | 0 | 0 | 113.4 | F47 L48 L49 F152 F453 M1012 A1018 P1019 | F47-W1014 HydrophobicContact CE1-CH2 4.08Å; F47-W1014 AromaticContact CE1-CZ3 3.84Å; F47-W1014 HydrophobicContact CE1-CZ3 3.84Å; F47-W1014 HydrophobicContact CZ-CH2 4.04Å; F47-W1014 HydrophobicContact CZ-CZ3 4.02Å; L48-W1014 HydrophobicContact CD2-CZ3 4.23Å; L49-W1014 HydrophobicContact CD1-CH2 4.2Å; L49-W1014 HydrophobicContact CD1-CZ2 3.5Å; L49-W1014 VanDerWaalsContact CD1-CZ2 3.5Å; L49-W1014 HydrophobicContact CG-CH2 3.94Å; L49-W1014 HydrophobicContact CG-CZ2 3.68Å; F152-W1014 HydrophobicContact CB-CZ3 4.49Å; F152-W1014 AromaticContact CD2-CD2 3.94Å; F152-W1014 HydrophobicContact CD2-CD2 3.94Å; F152-W1014 AromaticContact CD2-CE3 3.68Å; F152-W1014 HydrophobicContact CD2-CE3 3.68Å; F152-W1014 HydrophobicContact CD2-CG 4.34Å; F152-W1014 HydrophobicContact CD2-CZ3 4.22Å; F152-W1014 HydrophobicContact CE2-CB 3.78Å; F152-W1014 AromaticContact CE2-CD2 3.95Å; F152-W1014 HydrophobicContact CE2-CD2 3.95Å; F152-W1014 AromaticContact CE2-CE3 3.81Å; F152-W1014 HydrophobicContact CE2-CE3 3.81Å; F152-W1014 AromaticContact CE2-CG 3.94Å; F152-W1014 HydrophobicContact CE2-CG 3.94Å; F152-W1014 HydrophobicContact CG-CE3 4.08Å; F152-W1014 HydrophobicContact CG-CZ3 4.27Å; F152-W1014 HydrophobicContact CZ-CB 4.24Å; F152-W1014 HydrophobicContact CZ-CE3 4.31Å; F453-W1014 HydrophobicContact CE1-CH2 4.1Å; F453-W1014 AromaticContact CE1-CZ2 3.88Å; F453-W1014 HydrophobicContact CE1-CZ2 3.88Å; F453-W1014 AromaticContact CZ-CZ2 3.91Å; F453-W1014 HydrophobicContact CZ-CZ2 3.91Å; M1012-W1014 VanDerWaalsContact C-N 3.34Å; M1012-W1014 PolarHBondContact O-N 3.11Å; W1014-A1018 HydrophobicContact CE3-CB 3.89Å; W1014-A1018 HydrophobicContact CZ3-CB 4.15Å; W1014-P1019 WeakPolarHBondContact O-CD 3.35Å; W1014-P1019 WeakPolarHBondContact O-CG 3.36Å |
| 1015 | K | 75.8 | Confident | 88.1 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 19% | 0.191 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -86.1 | -35.8 | 177.9 | -170.6 | 169.1 | -172.4 | 160.8 | 0 | 113.6 | E649 M1012 | E649-K1015 HydrophobicContact CG-CD 4.43Å; E649-K1015 WeakPolarHBondContact OE1-CE 3.42Å; M1012-K1015 PolarHBondContact O-N 3.22Å; M1012-K1015 HydrophobicContact SD-CB 4.45Å; M1012-K1015 HydrophobicContact SD-CD 4.28Å |
| 1016 | I | 86.1 | Confident | 88.1 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -115.7 | -61.6 | -171.8 | -58.8 | 179.8 | 0 | 0 | 0 | 111.8 | N565 I568 I569 M1012 H1020 | N565-I1016 HydrophobicContact CB-CD1 4.2Å; I568-I1016 HydrophobicContact CB-CG2 4Å; I568-I1016 HydrophobicContact CD1-CG2 4.12Å; I568-I1016 HydrophobicContact CG2-CG2 3.59Å; I569-I1016 HydrophobicContact CD1-CD1 3.85Å; I569-I1016 HydrophobicContact CG1-CD1 4.02Å; M1012-I1016 HydrophobicContact CB-CB 4.28Å; M1012-I1016 HydrophobicContact CB-CD1 3.7Å; M1012-I1016 HydrophobicContact CB-CG1 3.95Å; M1012-I1016 HydrophobicContact CG-CD1 4Å; M1012-I1016 WeakPolarHBondContact O-CB 3.21Å; M1012-I1016 PolarHBondContact O-N 3.27Å; I1016-H1020 VanDerWaalsContact O-CB 3.25Å; I1016-H1020 WeakPolarHBondContact O-CB 3.36Å; I1016-H1020 PolarHBondContact O-N 3.11Å |
| 1017 | F | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -73.2 | -48 | -167.4 | -66.3 | -70.7 | 0 | 0 | 0 | 113.6 | Y562 N565 I568 T1004 L1007 H1010 V1013 H1020 L1021 | Y562-F1017 WeakPolarHBondContact O-CE1 3.42Å; N565-F1017 HydrophobicContact CB-CZ 4.41Å; N565-F1017 VanDerWaalsContact CG-CZ 3.44Å; N565-F1017 WeakPolarHBondContact OD1-CE2 3.41Å; N565-F1017 WeakPolarHBondContact OD1-CZ 3.29Å; I568-F1017 HydrophobicContact CD1-CD1 3.5Å; I568-F1017 HydrophobicContact CD1-CE1 3.39Å; I568-F1017 HydrophobicContact CD1-CZ 4.45Å; T1004-F1017 HydrophobicContact CG2-CB 4.42Å; T1004-F1017 PolarHBondContact OG1-O 3.43Å; L1007-F1017 HydrophobicContact CB-CD2 4.12Å; L1007-F1017 HydrophobicContact CB-CE1 4.49Å; L1007-F1017 HydrophobicContact CB-CE2 3.84Å; L1007-F1017 HydrophobicContact CB-CZ 4.1Å; L1007-F1017 HydrophobicContact CD1-CD1 4.29Å; L1007-F1017 HydrophobicContact CD1-CE1 3.45Å; L1007-F1017 VanDerWaalsContact CD1-CE1 3.45Å; L1007-F1017 HydrophobicContact CD1-CE2 3.82Å; L1007-F1017 HydrophobicContact CD1-CZ 3.19Å; L1007-F1017 HydrophobicContact CG-CE2 4.4Å; L1007-F1017 HydrophobicContact CG-CZ 4.21Å; H1010-F1017 HydrophobicContact CB-CE2 4.16Å; H1010-F1017 AromaticContact CG-CE2 3.92Å; H1010-F1017 AromaticContact ND1-CE2 3.72Å; V1013-F1017 HydrophobicContact CG2-CB 4.48Å; V1013-F1017 PolarHBondContact O-N 2.88Å; F1017-H1020 WeakPolarHBondContact O-CB 3.45Å; F1017-H1020 PolarHBondContact O-N 3.12Å; F1017-L1021 PolarHBondContact O-N 3.29Å |
| 1018 | A | 88.8 | Confident | 88.3 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F47 V1013 W1014 H1020 L1021 L1022 | F47-A1018 HydrophobicContact CE1-CB 3.7Å; F47-A1018 HydrophobicContact CZ-CB 3.87Å; V1013-A1018 WeakPolarHBondContact O-CB 3.39Å; V1013-A1018 PolarHBondContact O-N 3.44Å; W1014-A1018 HydrophobicContact CE3-CB 3.89Å; W1014-A1018 HydrophobicContact CZ3-CB 4.15Å; A1018-H1020 VanDerWaalsContact C-N 3.34Å; A1018-H1020 PolarHBondContact O-N 3.13Å; A1018-L1021 PolarHBondContact O-N 2.79Å; A1018-L1022 WeakPolarHBondContact O-CG 3.39Å; A1018-L1022 PolarHBondContact O-N 3.05Å |
| 1019 | P | 88.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 171.5 | -27.5 | 38 | 0 | 0 | 0 | 112.2 | P902 L904 W1014 L1021 L1022 F1023 | P902-P1019 VanDerWaalsContact O-CB 3.23Å; P902-P1019 WeakPolarHBondContact O-CB 3.08Å; L904-P1019 HydrophobicContact CG-CG 4.41Å; W1014-P1019 WeakPolarHBondContact O-CD 3.35Å; W1014-P1019 WeakPolarHBondContact O-CG 3.36Å; P1019-L1021 VanDerWaalsContact C-N 3.32Å; P1019-L1021 PolarHBondContact O-N 3.48Å; P1019-L1022 PolarHBondContact O-N 3.39Å; P1019-L1022 VanDerWaalsContact O-N 3.09Å; P1019-F1023 WeakPolarHBondContact O-CD2 3.4Å; P1019-F1023 PolarHBondContact O-N 3.34Å |
| 1020 | H | 92.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 178 | -169.6 | -104.6 | 0 | 0 | 0 | 113.1 | Y562 E571 C1000 I1016 F1017 A1018 F1023 S1024 | Y562-H1020 AromaticContact CD1-CE1 3.78Å; Y562-H1020 AromaticContact CD2-CE1 3.87Å; Y562-H1020 AromaticContact CE1-CE1 3.78Å; Y562-H1020 AromaticContact CE2-CE1 3.83Å; Y562-H1020 AromaticContact CG-CE1 3.85Å; Y562-H1020 AromaticContact CZ-CE1 3.79Å; E571-H1020 IonicContact OE1-NE2 2.77Å; E571-H1020 PolarHBondContact OE1-NE2 3.1Å; E571-H1020 IonicContact OE2-CD2 3.58Å; E571-H1020 PolarHBondContact OE2-CD2 3.43Å; E571-H1020 IonicContact OE2-CE1 3.86Å; E571-H1020 IonicContact OE2-NE2 2.69Å; E571-H1020 PolarHBondContact OE2-NE2 3.12Å; C1000-H1020 PolarHBondContact SG-CE1 2.91Å; C1000-H1020 PolarHBondContact SG-ND1 3.49Å; I1016-H1020 VanDerWaalsContact O-CB 3.25Å; I1016-H1020 WeakPolarHBondContact O-CB 3.36Å; I1016-H1020 PolarHBondContact O-N 3.11Å; F1017-H1020 WeakPolarHBondContact O-CB 3.45Å; F1017-H1020 PolarHBondContact O-N 3.12Å; A1018-H1020 VanDerWaalsContact C-N 3.34Å; A1018-H1020 PolarHBondContact O-N 3.13Å; H1020-F1023 PolarHBondContact O-N 2.94Å; H1020-S1024 WeakPolarHBondContact O-CB 3.41Å; H1020-S1024 PolarHBondContact O-N 2.92Å |
| 1021 | L | 95 | Very high | 89.1 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 173.6 | 173 | 61.2 | 0 | 0 | 0 | 112.4 | F43 L44 C1000 M1001 T1004 F1017 A1018 P1019 F1023 S1024 M1025 | F43-L1021 HydrophobicContact CD1-CD2 3.93Å; F43-L1021 HydrophobicContact CE1-CD2 3.42Å; F43-L1021 VanDerWaalsContact CE1-CD2 3.42Å; F43-L1021 HydrophobicContact CZ-CD2 4.31Å; L44-L1021 HydrophobicContact CD2-CD2 4.07Å; C1000-L1021 HydrophobicContact CB-CB 4.32Å; C1000-L1021 HydrophobicContact CB-CD1 3.95Å; M1001-L1021 HydrophobicContact CB-CD1 4.34Å; M1001-L1021 HydrophobicContact CG-CD1 3.47Å; M1001-L1021 VanDerWaalsContact CG-CD1 3.47Å; T1004-L1021 HydrophobicContact CG2-CD2 4Å; F1017-L1021 PolarHBondContact O-N 3.29Å; A1018-L1021 PolarHBondContact O-N 2.79Å; P1019-L1021 VanDerWaalsContact C-N 3.32Å; P1019-L1021 PolarHBondContact O-N 3.48Å; L1021-F1023 VanDerWaalsContact C-N 3.3Å; L1021-F1023 PolarHBondContact O-N 3.34Å; L1021-S1024 PolarHBondContact O-N 3.29Å; L1021-M1025 WeakPolarHBondContact O-CG 3.33Å; L1021-M1025 PolarHBondContact O-N 3.01Å |
| 1022 | L | 91.9 | Very high | 89.7 | Confident | 46 Ų | 46 | 23.6 Ų | 23.6 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 179.4 | -69.4 | 173.3 | 0 | 0 | 0 | 111.3 | A1018 P1019 M1025 L1026 | A1018-L1022 WeakPolarHBondContact O-CG 3.39Å; A1018-L1022 PolarHBondContact O-N 3.05Å; P1019-L1022 PolarHBondContact O-N 3.39Å; P1019-L1022 VanDerWaalsContact O-N 3.09Å; L1022-M1025 HydrophobicContact CB-CE 4.4Å; L1022-M1025 HydrophobicContact CD2-CE 3.43Å; L1022-M1025 VanDerWaalsContact CD2-CE 3.43Å; L1022-M1025 HydrophobicContact CD2-SD 4.22Å; L1022-M1025 WeakPolarHBondContact O-CG 3.34Å; L1022-L1026 VanDerWaalsContact O-CB 3.28Å; L1022-L1026 WeakPolarHBondContact O-CB 3.5Å; L1022-L1026 PolarHBondContact O-N 3.32Å; L1022-L1026 VanDerWaalsContact O-N 3.17Å |
| 1023 | F | 93.9 | Very high | 90 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 8% | 0.075 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.8 | -36.8 | 179.6 | -78.2 | -118.5 | 0 | 0 | 0 | 111.8 | F895 Q901 P902 T903 L904 I907 L934 Y935 P1019 H1020 L1021 S1027 | F895-F1023 HydrophobicContact CE1-CD1 4.5Å; F895-F1023 AromaticContact CE2-CD1 3.9Å; F895-F1023 HydrophobicContact CE2-CD1 3.9Å; F895-F1023 HydrophobicContact CE2-CE1 4.35Å; F895-F1023 AromaticContact CZ-CD1 3.5Å; F895-F1023 HydrophobicContact CZ-CD1 3.5Å; F895-F1023 VanDerWaalsContact CZ-CD1 3.5Å; F895-F1023 AromaticContact CZ-CE1 3.85Å; F895-F1023 HydrophobicContact CZ-CE1 3.85Å; Q901-F1023 WeakPolarHBondContact O-CE1 3.39Å; P902-F1023 HydrophobicContact CB-CB 4.12Å; P902-F1023 HydrophobicContact CB-CD1 4.22Å; P902-F1023 HydrophobicContact CB-CD2 4.43Å; P902-F1023 HydrophobicContact CB-CG 4.02Å; T903-F1023 VanDerWaalsContact O-CZ 3.31Å; T903-F1023 WeakPolarHBondContact O-CZ 3.49Å; L904-F1023 HydrophobicContact CD2-CE2 4.48Å; I907-F1023 HydrophobicContact CG1-CZ 4.1Å; L934-F1023 HydrophobicContact CD1-CD1 4.39Å; L934-F1023 HydrophobicContact CD1-CE1 3.8Å; L934-F1023 HydrophobicContact CD2-CD1 4.16Å; L934-F1023 HydrophobicContact CD2-CE1 3.77Å; L934-F1023 HydrophobicContact CD2-CZ 4.44Å; L934-F1023 HydrophobicContact CG-CE1 4.28Å; Y935-F1023 WeakPolarHBondContact OH-CA 3.29Å; Y935-F1023 PolarHBondContact OH-O 2.83Å; P1019-F1023 WeakPolarHBondContact O-CD2 3.4Å; P1019-F1023 PolarHBondContact O-N 3.34Å; H1020-F1023 PolarHBondContact O-N 2.94Å; L1021-F1023 VanDerWaalsContact C-N 3.3Å; L1021-F1023 PolarHBondContact O-N 3.34Å; F1023-S1027 WeakPolarHBondContact O-CB 3.28Å; F1023-S1027 PolarHBondContact O-N 3.46Å |
| 1024 | S | 95.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 11% | 0.105 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | T997 C1000 H1020 L1021 L1026 S1027 L1028 | T997-S1024 VanDerWaalsContact CA-OG 3.3Å; T997-S1024 WeakPolarHBondContact CA-OG 3.08Å; T997-S1024 PolarHBondContact OG1-O 2.79Å; T997-S1024 PolarHBondContact OG1-OG 3.35Å; C1000-S1024 VanDerWaalsContact SG-CB 3.56Å; H1020-S1024 WeakPolarHBondContact O-CB 3.41Å; H1020-S1024 PolarHBondContact O-N 2.92Å; L1021-S1024 PolarHBondContact O-N 3.29Å; S1024-L1026 VanDerWaalsContact C-N 3.28Å; S1024-L1026 PolarHBondContact O-N 3.28Å; S1024-S1027 WeakPolarHBondContact O-CB 3.33Å; S1024-S1027 PolarHBondContact O-N 2.99Å; S1024-L1028 PolarHBondContact O-N 3.13Å |
| 1025 | M | 94.8 | Very high | 90.7 | Very high | 46 Ų | 46 | 23.3 Ų | 23.3 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 178.6 | 70.2 | 168.4 | -165.2 | 0 | 0 | 111.6 | I40 L44 T997 L1021 L1022 L1028 L1029 | I40-M1025 HydrophobicContact CD1-CB 4.42Å; I40-M1025 HydrophobicContact CG2-CB 4.27Å; I40-M1025 HydrophobicContact CG2-SD 3.98Å; L44-M1025 HydrophobicContact CD1-CE 4.39Å; L44-M1025 HydrophobicContact CD1-SD 3.73Å; T997-M1025 HydrophobicContact CG2-CB 4.31Å; L1021-M1025 WeakPolarHBondContact O-CG 3.33Å; L1021-M1025 PolarHBondContact O-N 3.01Å; L1022-M1025 HydrophobicContact CB-CE 4.4Å; L1022-M1025 HydrophobicContact CD2-CE 3.43Å; L1022-M1025 VanDerWaalsContact CD2-CE 3.43Å; L1022-M1025 HydrophobicContact CD2-SD 4.22Å; L1022-M1025 WeakPolarHBondContact O-CG 3.34Å; M1025-L1028 PolarHBondContact O-N 2.83Å; M1025-L1029 WeakPolarHBondContact O-CB 3.4Å; M1025-L1029 PolarHBondContact O-N 2.89Å |
| 1026 | L | 93.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 23.3 Ų | 23.3 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.8 | -36.6 | 179.8 | -179.9 | 60.3 | 0 | 0 | 0 | 110.7 | L931 Y935 L1022 S1024 L1028 L1029 I1030 | L931-L1026 HydrophobicContact CD2-CD1 4.1Å; L931-L1026 HydrophobicContact CD2-CD2 3.6Å; L931-L1026 HydrophobicContact CD2-CG 4.18Å; Y935-L1026 HydrophobicContact CE2-CB 4.36Å; Y935-L1026 HydrophobicContact CE2-CD2 3.53Å; Y935-L1026 HydrophobicContact CE2-CG 3.59Å; Y935-L1026 WeakPolarHBondContact OH-CB 3.5Å; Y935-L1026 WeakPolarHBondContact OH-CD2 3.43Å; Y935-L1026 WeakPolarHBondContact OH-CG 3.43Å; L1022-L1026 VanDerWaalsContact O-CB 3.28Å; L1022-L1026 WeakPolarHBondContact O-CB 3.5Å; L1022-L1026 PolarHBondContact O-N 3.32Å; L1022-L1026 VanDerWaalsContact O-N 3.17Å; S1024-L1026 VanDerWaalsContact C-N 3.28Å; S1024-L1026 PolarHBondContact O-N 3.28Å; L1026-L1028 PolarHBondContact O-N 3.11Å; L1026-L1029 HydrophobicContact CD1-CD2 4.26Å; L1026-L1029 WeakPolarHBondContact O-CB 3.48Å; L1026-L1029 PolarHBondContact O-N 3Å; L1026-I1030 HydrophobicContact CD1-CD1 4.36Å; L1026-I1030 HydrophobicContact CG-CD1 4.17Å; L1026-I1030 WeakPolarHBondContact O-CB 3.27Å; L1026-I1030 VanDerWaalsContact O-CG1 3.25Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.48Å; L1026-I1030 PolarHBondContact O-N 3.36Å |
| 1027 | S | 94.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 169.8 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | K993 F1023 S1024 S1031 | K993-S1027 VanDerWaalsContact CE-OG 3.25Å; K993-S1027 WeakPolarHBondContact CE-OG 3.31Å; K993-S1027 PolarHBondContact NZ-OG 2.7Å; F1023-S1027 WeakPolarHBondContact O-CB 3.28Å; F1023-S1027 PolarHBondContact O-N 3.46Å; S1024-S1027 WeakPolarHBondContact O-CB 3.33Å; S1024-S1027 PolarHBondContact O-N 2.99Å; S1027-S1031 WeakPolarHBondContact O-CB 3.44Å; S1027-S1031 PolarHBondContact O-N 3.44Å; S1027-S1031 PolarHBondContact O-OG 2.85Å |
| 1028 | L | 95.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.5 | 177.8 | 62 | 0 | 0 | 0 | 111.4 | F37 I40 I990 K993 T997 S1024 M1025 L1026 S1031 A1032 | F37-L1028 HydrophobicContact CZ-CD2 4.44Å; F37-L1028 HydrophobicContact CZ-CG 4.16Å; I40-L1028 HydrophobicContact CD1-CD2 4.38Å; I990-L1028 HydrophobicContact CG2-CD1 4.41Å; K993-L1028 HydrophobicContact CB-CD1 3.86Å; T997-L1028 HydrophobicContact CG2-CD2 4.18Å; S1024-L1028 PolarHBondContact O-N 3.13Å; M1025-L1028 PolarHBondContact O-N 2.83Å; L1026-L1028 PolarHBondContact O-N 3.11Å; L1028-S1031 PolarHBondContact O-N 3.11Å; L1028-A1032 VanDerWaalsContact O-CB 3.26Å; L1028-A1032 WeakPolarHBondContact O-CB 3.39Å; L1028-A1032 PolarHBondContact O-N 3.43Å |
| 1029 | L | 93.3 | Very high | 90.8 | Very high | 76 Ų | 76 | 30 Ų | 30 | 40% | 0.398 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 176.9 | -178 | 65.2 | 0 | 0 | 0 | 111.7 | F37 M1025 L1026 S1031 A1032 V1033 | F37-L1029 HydrophobicContact CD1-CD1 4.48Å; F37-L1029 HydrophobicContact CE1-CB 3.87Å; F37-L1029 HydrophobicContact CE1-CD1 3.87Å; F37-L1029 HydrophobicContact CE1-CG 4.42Å; F37-L1029 HydrophobicContact CE2-CD1 4.14Å; F37-L1029 HydrophobicContact CZ-CB 3.81Å; F37-L1029 HydrophobicContact CZ-CD1 3.7Å; F37-L1029 HydrophobicContact CZ-CG 4.38Å; M1025-L1029 WeakPolarHBondContact O-CB 3.4Å; M1025-L1029 PolarHBondContact O-N 2.89Å; L1026-L1029 HydrophobicContact CD1-CD2 4.26Å; L1026-L1029 WeakPolarHBondContact O-CB 3.48Å; L1026-L1029 PolarHBondContact O-N 3Å; L1029-S1031 VanDerWaalsContact C-N 3.31Å; L1029-S1031 PolarHBondContact O-N 3.36Å; L1029-A1032 PolarHBondContact O-N 3.42Å; L1029-V1033 HydrophobicContact CD1-CG2 4.43Å; L1029-V1033 WeakPolarHBondContact O-CG2 3.3Å; L1029-V1033 PolarHBondContact O-N 3.04Å |
| 1030 | I | 90.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 177.6 | -70.2 | 166.1 | 0 | 0 | 0 | 110.2 | Y935 I939 L1026 V1033 C1034 | Y935-I1030 HydrophobicContact CD1-CD1 4.05Å; Y935-I1030 HydrophobicContact CD2-CD1 3.11Å; Y935-I1030 HydrophobicContact CE1-CD1 4.45Å; Y935-I1030 HydrophobicContact CE2-CD1 3.58Å; Y935-I1030 HydrophobicContact CG-CD1 3.36Å; I939-I1030 HydrophobicContact CD1-CG2 4.4Å; I939-I1030 HydrophobicContact CG1-CG2 3.92Å; L1026-I1030 HydrophobicContact CD1-CD1 4.36Å; L1026-I1030 HydrophobicContact CG-CD1 4.17Å; L1026-I1030 WeakPolarHBondContact O-CB 3.27Å; L1026-I1030 VanDerWaalsContact O-CG1 3.25Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.48Å; L1026-I1030 PolarHBondContact O-N 3.36Å; I1030-V1033 PolarHBondContact O-N 3.15Å; I1030-C1034 WeakPolarHBondContact O-CB 3.5Å; I1030-C1034 PolarHBondContact O-N 3.29Å; I1030-C1034 PolarHBondContact O-SG 2.96Å |
| 1031 | S | 90.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | S1027 L1028 L1029 V1033 L1035 | S1027-S1031 WeakPolarHBondContact O-CB 3.44Å; S1027-S1031 PolarHBondContact O-N 3.44Å; S1027-S1031 PolarHBondContact O-OG 2.85Å; L1028-S1031 PolarHBondContact O-N 3.11Å; L1029-S1031 VanDerWaalsContact C-N 3.31Å; L1029-S1031 PolarHBondContact O-N 3.36Å; S1031-V1033 VanDerWaalsContact C-N 3.25Å; S1031-V1033 PolarHBondContact O-N 3.37Å; S1031-L1035 VanDerWaalsContact O-CB 3.3Å; S1031-L1035 WeakPolarHBondContact O-CB 3.28Å; S1031-L1035 VanDerWaalsContact O-CG 3.29Å; S1031-L1035 WeakPolarHBondContact O-CG 3.35Å; S1031-L1035 PolarHBondContact O-N 3.47Å |
| 1032 | A | 89.6 | Confident | 89.7 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -24.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I33 F37 L1028 L1029 P1036 | I33-A1032 HydrophobicContact CG2-CB 4.34Å; F37-A1032 HydrophobicContact CE2-CB 4.3Å; L1028-A1032 VanDerWaalsContact O-CB 3.26Å; L1028-A1032 WeakPolarHBondContact O-CB 3.39Å; L1028-A1032 PolarHBondContact O-N 3.43Å; L1029-A1032 PolarHBondContact O-N 3.42Å; A1032-P1036 WeakPolarHBondContact O-CD 3.15Å; A1032-P1036 WeakPolarHBondContact O-CG 3.32Å |
| 1033 | V | 87.7 | Confident | 89.2 | Confident | 92 Ų | 92 | 34.2 Ų | 34.2 | 56% | 0.558 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -91 | -47.4 | 175 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L1029 I1030 S1031 L1037 | L1029-V1033 HydrophobicContact CD1-CG2 4.43Å; L1029-V1033 WeakPolarHBondContact O-CG2 3.3Å; L1029-V1033 PolarHBondContact O-N 3.04Å; I1030-V1033 PolarHBondContact O-N 3.15Å; S1031-V1033 VanDerWaalsContact C-N 3.25Å; S1031-V1033 PolarHBondContact O-N 3.37Å; V1033-L1037 PolarHBondContact O-N 3.47Å |
| 1034 | C | 87.2 | Confident | 88.4 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.4 | -42.8 | -173.7 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | F943 I1030 L1037 I1038 | F943-C1034 HydrophobicContact CE1-CB 4.02Å; I1030-C1034 WeakPolarHBondContact O-CB 3.5Å; I1030-C1034 PolarHBondContact O-N 3.29Å; I1030-C1034 PolarHBondContact O-SG 2.96Å; C1034-L1037 WeakPolarHBondContact O-CB 3.06Å; C1034-L1037 PolarHBondContact O-N 2.97Å; C1034-I1038 WeakPolarHBondContact O-CD1 3.43Å; C1034-I1038 VanDerWaalsContact O-CG1 3.28Å; C1034-I1038 WeakPolarHBondContact O-CG1 2.89Å; C1034-I1038 PolarHBondContact O-N 3.32Å |
| 1035 | L | 88.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | -175.3 | -65.4 | 170.5 | 0 | 0 | 0 | 113.1 | A942 L945 I986 F989 I990 S1031 L1037 I1038 R1039 | A942-L1035 HydrophobicContact CB-CD2 3.91Å; L945-L1035 HydrophobicContact CD2-CD2 3.81Å; I986-L1035 HydrophobicContact CD1-CB 4.49Å; I986-L1035 HydrophobicContact CG1-CB 4.24Å; I986-L1035 HydrophobicContact CG1-CD2 4.46Å; I986-L1035 HydrophobicContact CG2-CB 3.65Å; I986-L1035 HydrophobicContact CG2-CD1 4.23Å; F989-L1035 HydrophobicContact CD1-CD1 3.46Å; F989-L1035 VanDerWaalsContact CD1-CD1 3.46Å; F989-L1035 HydrophobicContact CE1-CD1 3.99Å; F989-L1035 HydrophobicContact CG-CD1 4.3Å; I990-L1035 HydrophobicContact CD1-CD1 4.38Å; I990-L1035 HydrophobicContact CG1-CD1 3.9Å; S1031-L1035 VanDerWaalsContact O-CB 3.3Å; S1031-L1035 WeakPolarHBondContact O-CB 3.28Å; S1031-L1035 VanDerWaalsContact O-CG 3.29Å; S1031-L1035 WeakPolarHBondContact O-CG 3.35Å; S1031-L1035 PolarHBondContact O-N 3.47Å; L1035-L1037 VanDerWaalsContact C-N 3.28Å; L1035-L1037 PolarHBondContact O-N 2.89Å; L1035-I1038 HydrophobicContact CD2-CD1 4.09Å; L1035-I1038 PolarHBondContact O-N 3.03Å; L1035-R1039 WeakPolarHBondContact O-CB 3.43Å; L1035-R1039 PolarHBondContact O-N 3.16Å |
| 1036 | P | 83.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 28% | 0.279 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -33.9 | 170.8 | -26.7 | 38 | 0 | 0 | 0 | 113.6 | A1032 R1039 F1040 | A1032-P1036 WeakPolarHBondContact O-CD 3.15Å; A1032-P1036 WeakPolarHBondContact O-CG 3.32Å; P1036-R1039 WeakPolarHBondContact O-CB 3.25Å; P1036-R1039 PolarHBondContact O-N 3.42Å; P1036-F1040 WeakPolarHBondContact O-CB 3.48Å; P1036-F1040 PolarHBondContact O-N 3.37Å |
| 1037 | L | 85.9 | Confident | 85.9 | Confident | 94 Ų | 94 | 36.3 Ų | 36.3 | 49% | 0.492 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.5 | -44.9 | 175.3 | -175.7 | 69.9 | 0 | 0 | 0 | 111.6 | V1033 C1034 L1035 R1039 F1040 L1041 | V1033-L1037 PolarHBondContact O-N 3.47Å; C1034-L1037 WeakPolarHBondContact O-CB 3.06Å; C1034-L1037 PolarHBondContact O-N 2.97Å; L1035-L1037 VanDerWaalsContact C-N 3.28Å; L1035-L1037 PolarHBondContact O-N 2.89Å; L1037-R1039 VanDerWaalsContact C-N 3.32Å; L1037-R1039 PolarHBondContact O-N 3.23Å; L1037-F1040 WeakPolarHBondContact O-CB 2.96Å; L1037-F1040 PolarHBondContact O-N 2.77Å; L1037-L1041 HydrophobicContact CG-CD1 4.36Å; L1037-L1041 WeakPolarHBondContact O-CG 3.35Å; L1037-L1041 PolarHBondContact O-N 2.94Å |
| 1038 | I | 86.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 174.6 | -67.7 | 156.7 | 0 | 0 | 0 | 110 | F821 F943 P946 C1034 L1035 F1040 L1041 V1042 | F821-I1038 HydrophobicContact CD2-CG2 4.47Å; F821-I1038 HydrophobicContact CE1-CG1 4.37Å; F821-I1038 HydrophobicContact CE1-CG2 4.44Å; F821-I1038 HydrophobicContact CE2-CG2 4.12Å; F821-I1038 HydrophobicContact CZ-CG2 4.11Å; F943-I1038 HydrophobicContact CB-CD1 4.5Å; F943-I1038 HydrophobicContact CD1-CD1 3.45Å; F943-I1038 VanDerWaalsContact CD1-CD1 3.45Å; F943-I1038 HydrophobicContact CD1-CG1 4.14Å; F943-I1038 HydrophobicContact CE1-CD1 3.84Å; F943-I1038 HydrophobicContact CE1-CG1 4.22Å; F943-I1038 HydrophobicContact CG-CD1 4.08Å; P946-I1038 HydrophobicContact CG-CG2 3.39Å; C1034-I1038 WeakPolarHBondContact O-CD1 3.43Å; C1034-I1038 VanDerWaalsContact O-CG1 3.28Å; C1034-I1038 WeakPolarHBondContact O-CG1 2.89Å; C1034-I1038 PolarHBondContact O-N 3.32Å; L1035-I1038 HydrophobicContact CD2-CD1 4.09Å; L1035-I1038 PolarHBondContact O-N 3.03Å; I1038-F1040 VanDerWaalsContact C-N 3.33Å; I1038-F1040 PolarHBondContact O-N 3.24Å; I1038-L1041 PolarHBondContact O-N 3.31Å; I1038-V1042 HydrophobicContact CG2-CG2 4.22Å; I1038-V1042 WeakPolarHBondContact O-CB 3.37Å; I1038-V1042 VanDerWaalsContact O-CG2 3.28Å; I1038-V1042 WeakPolarHBondContact O-CG2 2.93Å; I1038-V1042 PolarHBondContact O-N 2.84Å |
| 1039 | R | 86.4 | Confident | 84 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -49 | 174.5 | -176.4 | -159.9 | 176.4 | -74.8 | -27.2 | 111 | Y22 L982 D983 I986 L1035 P1036 L1037 L1041 V1042 V1043 | Y22-R1039 PolarHBondContact OH-NH2 3.21Å; L982-R1039 HydrophobicContact CD2-CG 4.41Å; D983-R1039 VanDerWaalsContact CG-NE 3.33Å; D983-R1039 WeakPolarHBondContact OD1-CD 3.36Å; D983-R1039 IonicContact OD1-CZ 3.21Å; D983-R1039 IonicContact OD1-NE 3.76Å; D983-R1039 PolarHBondContact OD1-NE 3.31Å; D983-R1039 IonicContact OD1-NH2 3.04Å; D983-R1039 IonicContact OD2-CZ 2.72Å; D983-R1039 IonicContact OD2-NE 3.24Å; D983-R1039 PolarHBondContact OD2-NE 3.14Å; D983-R1039 IonicContact OD2-NH2 3.31Å; D983-R1039 PolarHBondContact OD2-NH2 3.38Å; I986-R1039 HydrophobicContact CD1-CB 3.76Å; I986-R1039 HydrophobicContact CD1-CG 4.3Å; L1035-R1039 WeakPolarHBondContact O-CB 3.43Å; L1035-R1039 PolarHBondContact O-N 3.16Å; P1036-R1039 WeakPolarHBondContact O-CB 3.25Å; P1036-R1039 PolarHBondContact O-N 3.42Å; L1037-R1039 VanDerWaalsContact C-N 3.32Å; L1037-R1039 PolarHBondContact O-N 3.23Å; R1039-L1041 PolarHBondContact O-N 2.85Å; R1039-V1042 PolarHBondContact O-N 3.49Å; R1039-V1043 HydrophobicContact CG-CG2 4.21Å; R1039-V1043 VanDerWaalsContact O-CB 3.31Å; R1039-V1043 WeakPolarHBondContact O-CB 3.45Å; R1039-V1043 VanDerWaalsContact O-CG2 3.23Å; R1039-V1043 WeakPolarHBondContact O-CG2 3.35Å; R1039-V1043 PolarHBondContact O-N 3.39Å |
| 1040 | F | 85.7 | Confident | 82.9 | Confident | 104 Ų | 104 | 38.8 Ų | 38.8 | 46% | 0.456 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.2 | -48.8 | 177.4 | 173.9 | -97.6 | 0 | 0 | 0 | 111.3 | P1036 L1037 I1038 V1042 V1043 Y1044 | P1036-F1040 WeakPolarHBondContact O-CB 3.48Å; P1036-F1040 PolarHBondContact O-N 3.37Å; L1037-F1040 WeakPolarHBondContact O-CB 2.96Å; L1037-F1040 PolarHBondContact O-N 2.77Å; I1038-F1040 VanDerWaalsContact C-N 3.33Å; I1038-F1040 PolarHBondContact O-N 3.24Å; F1040-V1042 PolarHBondContact O-N 3.49Å; F1040-V1043 PolarHBondContact O-N 3.47Å; F1040-Y1044 HydrophobicContact CE1-CD1 4.44Å; F1040-Y1044 HydrophobicContact CE2-CD1 4.31Å; F1040-Y1044 HydrophobicContact CE2-CD2 4.25Å; F1040-Y1044 AromaticContact CE2-CG 3.91Å; F1040-Y1044 HydrophobicContact CE2-CG 3.91Å; F1040-Y1044 AromaticContact CZ-CD1 3.86Å; F1040-Y1044 HydrophobicContact CZ-CD1 3.86Å; F1040-Y1044 HydrophobicContact CZ-CE1 4.46Å; F1040-Y1044 AromaticContact CZ-CG 3.94Å; F1040-Y1044 HydrophobicContact CZ-CG 3.94Å; F1040-Y1044 WeakPolarHBondContact O-CA 3.21Å; F1040-Y1044 WeakPolarHBondContact O-CB 3.49Å; F1040-Y1044 PolarHBondContact O-N 3.11Å |
| 1041 | L | 86.1 | Confident | 81.9 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -62.6 | -45 | 179.2 | -70.3 | 171.2 | 0 | 0 | 0 | 112.3 | F776 V780 F821 L1037 I1038 R1039 C1045 L1046 | F776-L1041 HydrophobicContact CZ-CD1 4.03Å; V780-L1041 HydrophobicContact CG1-CD2 4.19Å; V780-L1041 HydrophobicContact CG2-CD2 4.34Å; F821-L1041 HydrophobicContact CE1-CB 4.34Å; F821-L1041 HydrophobicContact CE1-CD1 3.78Å; F821-L1041 HydrophobicContact CZ-CB 3.8Å; F821-L1041 HydrophobicContact CZ-CD1 4.1Å; L1037-L1041 HydrophobicContact CG-CD1 4.36Å; L1037-L1041 WeakPolarHBondContact O-CG 3.35Å; L1037-L1041 PolarHBondContact O-N 2.94Å; I1038-L1041 PolarHBondContact O-N 3.31Å; R1039-L1041 PolarHBondContact O-N 2.85Å; L1041-C1045 WeakPolarHBondContact O-CA 3.28Å; L1041-C1045 WeakPolarHBondContact O-CB 3.28Å; L1041-C1045 PolarHBondContact O-N 3.47Å; L1041-L1046 PolarHBondContact O-N 3.2Å |
| 1042 | V | 83 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -64.1 | -47.6 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | W816 F821 P946 F978 L982 I1038 R1039 F1040 L1046 H1047 | W816-V1042 HydrophobicContact CZ3-CG2 4.37Å; F821-V1042 HydrophobicContact CE2-CG2 3.49Å; F821-V1042 VanDerWaalsContact CE2-CG2 3.49Å; F821-V1042 HydrophobicContact CZ-CG2 4.05Å; P946-V1042 HydrophobicContact CB-CG2 4.03Å; P946-V1042 HydrophobicContact CG-CG2 3.96Å; F978-V1042 HydrophobicContact CE1-CG1 3.58Å; F978-V1042 HydrophobicContact CZ-CG1 4.05Å; L982-V1042 HydrophobicContact CD2-CB 4.15Å; L982-V1042 HydrophobicContact CD2-CG1 4.01Å; I1038-V1042 HydrophobicContact CG2-CG2 4.22Å; I1038-V1042 WeakPolarHBondContact O-CB 3.37Å; I1038-V1042 VanDerWaalsContact O-CG2 3.28Å; I1038-V1042 WeakPolarHBondContact O-CG2 2.93Å; I1038-V1042 PolarHBondContact O-N 2.84Å; R1039-V1042 PolarHBondContact O-N 3.49Å; F1040-V1042 PolarHBondContact O-N 3.49Å; V1042-L1046 WeakPolarHBondContact O-CB 3.49Å; V1042-L1046 PolarHBondContact O-N 2.99Å; V1042-H1047 WeakPolarHBondContact O-CB 3.44Å; V1042-H1047 PolarHBondContact O-N 3.46Å |
| 1043 | V | 79.9 | Confident | 79.8 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -75.3 | -47.3 | -174.9 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | V979 R1039 F1040 H1047 N1048 | V979-V1043 HydrophobicContact CB-CG2 4.5Å; V979-V1043 HydrophobicContact CG1-CG2 3.8Å; V979-V1043 HydrophobicContact CG2-CG2 4Å; R1039-V1043 HydrophobicContact CG-CG2 4.21Å; R1039-V1043 VanDerWaalsContact O-CB 3.31Å; R1039-V1043 WeakPolarHBondContact O-CB 3.45Å; R1039-V1043 VanDerWaalsContact O-CG2 3.23Å; R1039-V1043 WeakPolarHBondContact O-CG2 3.35Å; R1039-V1043 PolarHBondContact O-N 3.39Å; F1040-V1043 PolarHBondContact O-N 3.47Å; V1043-H1047 WeakPolarHBondContact O-CB 3.42Å; V1043-N1048 VanDerWaalsContact O-CG 3.28Å; V1043-N1048 PolarHBondContact O-N 3.02Å |
| 1044 | Y | 77.4 | Confident | 78.7 | Confident | 141 Ų | 141 | 43 Ų | 43 | 55% | 0.553 | 20% | 0.204 | S | C | * | . | I | π-helix | trans | -82.6 | -41.8 | -173.7 | -168.9 | -95 | 0 | 0 | 0 | 113 | F1040 N1048 | F1040-Y1044 HydrophobicContact CE1-CD1 4.44Å; F1040-Y1044 HydrophobicContact CE2-CD1 4.31Å; F1040-Y1044 HydrophobicContact CE2-CD2 4.25Å; F1040-Y1044 AromaticContact CE2-CG 3.91Å; F1040-Y1044 HydrophobicContact CE2-CG 3.91Å; F1040-Y1044 AromaticContact CZ-CD1 3.86Å; F1040-Y1044 HydrophobicContact CZ-CD1 3.86Å; F1040-Y1044 HydrophobicContact CZ-CE1 4.46Å; F1040-Y1044 AromaticContact CZ-CG 3.94Å; F1040-Y1044 HydrophobicContact CZ-CG 3.94Å; F1040-Y1044 WeakPolarHBondContact O-CA 3.21Å; F1040-Y1044 WeakPolarHBondContact O-CB 3.49Å; F1040-Y1044 PolarHBondContact O-N 3.11Å; Y1044-N1048 WeakPolarHBondContact O-CB 3.5Å |
| 1045 | C | 80 | Confident | 77.5 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -91.2 | -39 | -172.8 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | V780 L1041 R1049 | V780-C1045 HydrophobicContact CG1-CB 4.18Å; L1041-C1045 WeakPolarHBondContact O-CA 3.28Å; L1041-C1045 WeakPolarHBondContact O-CB 3.28Å; L1041-C1045 PolarHBondContact O-N 3.47Å; C1045-R1049 WeakPolarHBondContact O-CG 3.36Å; C1045-R1049 PolarHBondContact O-NH1 2.85Å; C1045-R1049 VanDerWaalsContact O-NH1 3.14Å |
| 1046 | L | 77.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -93.6 | -61.5 | 179.7 | 179.7 | 68.1 | 0 | 0 | 0 | 111.6 | P783 Y813 W816 T817 L1041 V1042 R1049 I1050 | P783-L1046 HydrophobicContact CB-CD1 3.56Å; P783-L1046 HydrophobicContact CG-CD1 4.12Å; Y813-L1046 HydrophobicContact CD1-CD2 3.38Å; Y813-L1046 HydrophobicContact CD1-CG 4.32Å; Y813-L1046 HydrophobicContact CE1-CD2 3.54Å; Y813-L1046 HydrophobicContact CE1-CG 4.08Å; Y813-L1046 HydrophobicContact CG-CD2 3.94Å; W816-L1046 HydrophobicContact CB-CD1 4.17Å; W816-L1046 HydrophobicContact CB-CD2 4.49Å; W816-L1046 HydrophobicContact CD2-CB 4.25Å; W816-L1046 HydrophobicContact CD2-CD1 3.98Å; W816-L1046 HydrophobicContact CD2-CD2 4.06Å; W816-L1046 HydrophobicContact CD2-CG 4.32Å; W816-L1046 HydrophobicContact CE3-CB 4.03Å; W816-L1046 HydrophobicContact CE3-CD1 4.32Å; W816-L1046 HydrophobicContact CE3-CD2 3.56Å; W816-L1046 HydrophobicContact CE3-CG 4.17Å; W816-L1046 HydrophobicContact CG-CD1 3.91Å; W816-L1046 HydrophobicContact CG-CD2 4.48Å; W816-L1046 HydrophobicContact CH2-CB 4.11Å; W816-L1046 HydrophobicContact CZ2-CB 4.36Å; W816-L1046 HydrophobicContact CZ3-CB 3.93Å; W816-L1046 HydrophobicContact CZ3-CD2 4.06Å; T817-L1046 HydrophobicContact CG2-CD2 4.41Å; L1041-L1046 PolarHBondContact O-N 3.2Å; V1042-L1046 WeakPolarHBondContact O-CB 3.49Å; V1042-L1046 PolarHBondContact O-N 2.99Å; L1046-R1049 PolarHBondContact O-N 2.93Å; L1046-I1050 HydrophobicContact CD1-CD1 3.73Å; L1046-I1050 HydrophobicContact CD1-CG1 4.47Å; L1046-I1050 HydrophobicContact CG-CD1 3.98Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.38Å; L1046-I1050 PolarHBondContact O-N 3.49Å; L1046-I1050 VanDerWaalsContact O-N 3.11Å |
| 1047 | H | 74.2 | Confident | 74.9 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 8% | 0.083 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -64.3 | -50.5 | -169.5 | -174 | 89 | 0 | 0 | 0 | 112.6 | Y813 F975 V1042 V1043 R1049 I1050 C1051 | Y813-H1047 AromaticContact CZ-ND1 3.98Å; Y813-H1047 WeakPolarHBondContact OH-CA 3.25Å; Y813-H1047 PolarHBondContact OH-ND1 3.24Å; F975-H1047 AromaticContact CD1-CE1 3.39Å; F975-H1047 WeakPolarHBondContact CD1-CE1 3.33Å; F975-H1047 AromaticContact CD1-NE2 3.75Å; V1042-H1047 WeakPolarHBondContact O-CB 3.44Å; V1042-H1047 PolarHBondContact O-N 3.46Å; V1043-H1047 WeakPolarHBondContact O-CB 3.42Å; H1047-R1049 VanDerWaalsContact C-N 3.26Å; H1047-R1049 PolarHBondContact O-N 3.25Å; H1047-I1050 PolarHBondContact O-N 3.46Å; H1047-C1051 PolarHBondContact O-N 3.01Å; H1047-C1051 PolarHBondContact O-SG 3.32Å; H1047-C1051 VanDerWaalsContact O-SG 3.37Å |
| 1048 | N | 73.1 | Confident | 73.3 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -33.8 | 178.3 | -80.1 | -16.4 | 0 | 0 | 0 | 113.1 | V1043 Y1044 K1052 | V1043-N1048 VanDerWaalsContact O-CG 3.28Å; V1043-N1048 PolarHBondContact O-N 3.02Å; Y1044-N1048 WeakPolarHBondContact O-CB 3.5Å; N1048-K1052 WeakPolarHBondContact O-CG 3.44Å; N1048-K1052 PolarHBondContact O-N 2.77Å |
| 1049 | R | 75.6 | Confident | 71.3 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.4 | -44.6 | 177.8 | -74.5 | -150.7 | -173.3 | 106.3 | -1.9 | 112.6 | V780 K781 P783 C1045 L1046 H1047 C1051 K1052 I1053 | V780-R1049 PolarHBondContact O-NH1 2.94Å; V780-R1049 PolarHBondContact O-NH2 3.45Å; K781-R1049 VanDerWaalsContact C-CZ 3.44Å; K781-R1049 VanDerWaalsContact C-NH1 3.26Å; K781-R1049 PolarHBondContact O-NE 2.87Å; K781-R1049 PolarHBondContact O-NH1 3.43Å; K781-R1049 PolarHBondContact O-NH2 3.16Å; P783-R1049 HydrophobicContact CG-CB 4.43Å; C1045-R1049 WeakPolarHBondContact O-CG 3.36Å; C1045-R1049 PolarHBondContact O-NH1 2.85Å; C1045-R1049 VanDerWaalsContact O-NH1 3.14Å; L1046-R1049 PolarHBondContact O-N 2.93Å; H1047-R1049 VanDerWaalsContact C-N 3.26Å; H1047-R1049 PolarHBondContact O-N 3.25Å; R1049-C1051 VanDerWaalsContact C-N 3.26Å; R1049-C1051 PolarHBondContact O-N 2.84Å; R1049-K1052 PolarHBondContact O-N 2.97Å; R1049-K1052 VanDerWaalsContact O-N 3.16Å; R1049-I1053 PolarHBondContact O-N 2.88Å |
| 1050 | I | 71.7 | Confident | 69.3 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 173.7 | -67.5 | 170.3 | 0 | 0 | 0 | 109.7 | F784 L812 Y813 L1046 H1047 K1052 I1053 L1054 | F784-I1050 HydrophobicContact CZ-CG1 3.88Å; L812-I1050 HydrophobicContact CD2-CD1 3.78Å; L812-I1050 HydrophobicContact CD2-CG1 4.08Å; L812-I1050 HydrophobicContact CG-CD1 4.4Å; Y813-I1050 HydrophobicContact CD2-CD1 3.83Å; Y813-I1050 HydrophobicContact CE2-CD1 3.26Å; L1046-I1050 HydrophobicContact CD1-CD1 3.73Å; L1046-I1050 HydrophobicContact CD1-CG1 4.47Å; L1046-I1050 HydrophobicContact CG-CD1 3.98Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.38Å; L1046-I1050 PolarHBondContact O-N 3.49Å; L1046-I1050 VanDerWaalsContact O-N 3.11Å; H1047-I1050 PolarHBondContact O-N 3.46Å; I1050-K1052 PolarHBondContact O-N 3.22Å; I1050-I1053 PolarHBondContact O-N 3.36Å; I1050-L1054 HydrophobicContact CG2-CD1 3.86Å; I1050-L1054 HydrophobicContact CG2-CG 4.39Å; I1050-L1054 WeakPolarHBondContact O-CB 3.42Å; I1050-L1054 VanDerWaalsContact O-CG 3.3Å; I1050-L1054 WeakPolarHBondContact O-CG 3.43Å; I1050-L1054 PolarHBondContact O-N 3.05Å |
| 1051 | C | 69 | Low | 66.9 | Low | 27 Ų | 27 | 62 Ų | 62 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 176 | -72.5 | 0 | 0 | 0 | 0 | 113.3 | F975 H1047 R1049 K1055 | F975-C1051 VanDerWaalsContact CE1-SG 3.59Å; H1047-C1051 PolarHBondContact O-N 3.01Å; H1047-C1051 PolarHBondContact O-SG 3.32Å; H1047-C1051 VanDerWaalsContact O-SG 3.37Å; R1049-C1051 VanDerWaalsContact C-N 3.26Å; R1049-C1051 PolarHBondContact O-N 2.84Å; C1051-K1055 WeakPolarHBondContact O-CB 3.24Å; C1051-K1055 VanDerWaalsContact O-CG 3.28Å; C1051-K1055 WeakPolarHBondContact O-CG 3.46Å; C1051-K1055 PolarHBondContact O-N 3.15Å |
| 1052 | K | 68.8 | Low | 64.5 | Low | 150 Ų | 150 | 70 Ų | 70 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 176.6 | -79.6 | 178 | 179.5 | -177.1 | 0 | 112 | N1048 R1049 I1050 K1055 S1056 | N1048-K1052 WeakPolarHBondContact O-CG 3.44Å; N1048-K1052 PolarHBondContact O-N 2.77Å; R1049-K1052 PolarHBondContact O-N 2.97Å; R1049-K1052 VanDerWaalsContact O-N 3.16Å; I1050-K1052 PolarHBondContact O-N 3.22Å; K1052-K1055 PolarHBondContact O-N 3.31Å; K1052-S1056 PolarHBondContact O-N 3.46Å; K1052-S1056 PolarHBondContact O-OG 3.21Å |
| 1053 | I | 66.7 | Low | 62.2 | Low | 26 Ų | 26 | 73 Ų | 73 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 179 | -69.7 | 165 | 0 | 0 | 0 | 110.8 | F784 R1049 I1050 K1055 S1056 H1057 | F784-I1053 HydrophobicContact CD2-CD1 3.83Å; F784-I1053 HydrophobicContact CE1-CD1 4.24Å; F784-I1053 HydrophobicContact CE2-CD1 3.07Å; F784-I1053 HydrophobicContact CZ-CD1 3.32Å; R1049-I1053 PolarHBondContact O-N 2.88Å; I1050-I1053 PolarHBondContact O-N 3.36Å; I1053-K1055 PolarHBondContact O-N 2.85Å; I1053-S1056 WeakPolarHBondContact CA-OG 3.24Å; I1053-S1056 PolarHBondContact O-N 3.34Å; I1053-S1056 VanDerWaalsContact O-N 3.12Å; I1053-S1056 PolarHBondContact O-OG 3.36Å; I1053-H1057 PolarHBondContact O-N 3.11Å; I1053-H1057 VanDerWaalsContact O-N 3.1Å |
| 1054 | L | 66 | Low | 59.8 | Low | 22 Ų | 22 | 76.5 Ų | 76.5 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58 | -38.5 | 176.2 | -70.4 | 172.6 | 0 | 0 | 0 | 111.8 | I796 I809 F975 I1050 F1058 | I796-L1054 HydrophobicContact CD1-CD2 4.21Å; I809-L1054 HydrophobicContact CD1-CD1 4.34Å; F975-L1054 HydrophobicContact CZ-CD1 3.81Å; I1050-L1054 HydrophobicContact CG2-CD1 3.86Å; I1050-L1054 HydrophobicContact CG2-CG 4.39Å; I1050-L1054 WeakPolarHBondContact O-CB 3.42Å; I1050-L1054 VanDerWaalsContact O-CG 3.3Å; I1050-L1054 WeakPolarHBondContact O-CG 3.43Å; I1050-L1054 PolarHBondContact O-N 3.05Å; L1054-F1058 HydrophobicContact CD2-CD2 4.24Å; L1054-F1058 HydrophobicContact CD2-CE2 4.05Å; L1054-F1058 PolarHBondContact O-N 3.02Å |
| 1055 | K | 61.5 | Low | 58.9 | Low | 102 Ų | 102 | 73.3 Ų | 73.3 | 44% | 0.443 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 174.1 | -77.2 | 175 | -178.6 | 178.8 | 0 | 112.4 | C1051 K1052 I1053 H1057 | C1051-K1055 WeakPolarHBondContact O-CB 3.24Å; C1051-K1055 VanDerWaalsContact O-CG 3.28Å; C1051-K1055 WeakPolarHBondContact O-CG 3.46Å; C1051-K1055 PolarHBondContact O-N 3.15Å; K1052-K1055 PolarHBondContact O-N 3.31Å; I1053-K1055 PolarHBondContact O-N 2.85Å; K1055-H1057 VanDerWaalsContact C-N 3.33Å; K1055-H1057 PolarHBondContact O-N 3.41Å |
| 1056 | S | 62 | Low | 57.8 | Low | 81 Ų | 81 | 76.7 Ų | 76.7 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -34.3 | -176.2 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | K1052 I1053 | K1052-S1056 PolarHBondContact O-N 3.46Å; K1052-S1056 PolarHBondContact O-OG 3.21Å; I1053-S1056 WeakPolarHBondContact CA-OG 3.24Å; I1053-S1056 PolarHBondContact O-N 3.34Å; I1053-S1056 VanDerWaalsContact O-N 3.12Å; I1053-S1056 PolarHBondContact O-OG 3.36Å |
| 1057 | H | 54.7 | Low | 56.7 | Low | 89 Ų | 89 | 80.9 Ų | 80.9 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -96.5 | -30.5 | -172.6 | -78.2 | -40.5 | 0 | 0 | 0 | 115.3 | I1053 K1055 | I1053-H1057 PolarHBondContact O-N 3.11Å; I1053-H1057 VanDerWaalsContact O-N 3.1Å; K1055-H1057 VanDerWaalsContact C-N 3.33Å; K1055-H1057 PolarHBondContact O-N 3.41Å |
| 1058 | F | 53.7 | Low | 55.7 | Low | 89 Ų | 89 | 84.6 Ų | 84.6 | 39% | 0.39 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -99.1 | 9.6 | -176.5 | -76.9 | -70.4 | 0 | 0 | 0 | 114.4 | I796 L1054 I1060 | I796-F1058 HydrophobicContact CG2-CD2 4.08Å; I796-F1058 HydrophobicContact CG2-CE1 4.31Å; I796-F1058 HydrophobicContact CG2-CE2 3.11Å; I796-F1058 HydrophobicContact CG2-CZ 3.25Å; I796-F1058 WeakPolarHBondContact O-CZ 3.36Å; L1054-F1058 HydrophobicContact CD2-CD2 4.24Å; L1054-F1058 HydrophobicContact CD2-CE2 4.05Å; L1054-F1058 PolarHBondContact O-N 3.02Å; F1058-I1060 HydrophobicContact CB-CD1 3.31Å; F1058-I1060 HydrophobicContact CB-CG1 3.25Å; F1058-I1060 HydrophobicContact CD2-CD1 4.16Å; F1058-I1060 HydrophobicContact CG-CD1 3.99Å; F1058-I1060 HydrophobicContact CG-CG1 4.39Å; F1058-I1060 WeakPolarHBondContact O-CG1 3.41Å; F1058-I1060 PolarHBondContact O-N 2.96Å |
| 1059 | N | 45 | Very low | 54.6 | Low | 135 Ų | 135 | 85.8 Ų | 85.8 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 31.1 | -177 | -117.2 | -12 | 0 | 0 | 0 | 112.7 | H1061 | N1059-H1061 PolarHBondContact O-N 3.21Š|
| 1060 | I | 44.2 | Very low | 53.2 | Low | 59 Ų | 59 | 86.5 Ų | 86.5 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | trans | -83.6 | 61.2 | -174.8 | -47.9 | 172.5 | 0 | 0 | 0 | 108.5 | F1058 K1062 C1063 | F1058-I1060 HydrophobicContact CB-CD1 3.31Å; F1058-I1060 HydrophobicContact CB-CG1 3.25Å; F1058-I1060 HydrophobicContact CD2-CD1 4.16Å; F1058-I1060 HydrophobicContact CG-CD1 3.99Å; F1058-I1060 HydrophobicContact CG-CG1 4.39Å; F1058-I1060 WeakPolarHBondContact O-CG1 3.41Å; F1058-I1060 PolarHBondContact O-N 2.96Å; I1060-K1062 PolarHBondContact O-N 3.27Å; I1060-C1063 HydrophobicContact CB-CB 4.5Å; I1060-C1063 HydrophobicContact CG2-CB 3.32Å; I1060-C1063 WeakPolarHBondContact CG2-SG 3.43Å | ||
| 1061 | H | 35.6 | Very low | 51.8 | Low | 166 Ų | 166 | 92.6 Ų | 92.6 | 77% | 0.769 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16 | 170.7 | -88.3 | -74.4 | 0 | 0 | 0 | 112.2 | N1059 | N1059-H1061 PolarHBondContact O-N 3.21Š|
| 1062 | K | 34.6 | Very low | 50.5 | Low | 192 Ų | 192 | 97.7 Ų | 97.7 | 84% | 0.835 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 1.2 | -178.3 | -76.7 | -176.8 | 176.5 | 173.3 | 0 | 115.9 | I1060 | I1060-K1062 PolarHBondContact O-N 3.27Š|
| 1063 | C | 34.2 | Very low | 49 | Very low | 61 Ų | 61 | 93.3 Ų | 93.3 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | trans | -108.6 | 5.6 | -175 | -77.2 | 0 | 0 | 0 | 0 | 116.8 | N972 I1060 | N972-C1063 PolarHBondContact OD1-SG 3.27Å; N972-C1063 VanDerWaalsContact OD1-SG 3.38Å; I1060-C1063 HydrophobicContact CB-CB 4.5Å; I1060-C1063 HydrophobicContact CG2-CB 3.32Å; I1060-C1063 WeakPolarHBondContact CG2-SG 3.43Å | ||
| 1064 | V | 30 | Very low | 47.4 | Very low | 98 Ų | 98 | 99.5 Ų | 99.5 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | trans | -67.3 | 0 | 159.3 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | Y15 N972 | Y15-V1064 HydrophobicContact CE2-CG1 4.31Å; N972-V1064 PolarHBondContact ND2-OXT 3.27Å |
Retrieved 1,064 of 1,064 residues in 295.3 ms
(Link to these results)