| 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 | 92.3 | Very high | 94.2 | Very high | 82 Ų | 82 | 52.6 Ų | 52.6 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | 0 | -43.4 | 0 | -92.5 | -68.5 | -126.1 | 0 | 0 | 111.2 | K3 I4 L5 V25 S28 M41 | M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.08Å; M1-I4 WeakPolarHBondContact O-CA 3.36Å; M1-I4 WeakPolarHBondContact O-CB 3.4Å; M1-I4 PolarHBondContact O-N 3.1Å; M1-I4 HydrophobicContact SD-CD1 3.87Å; M1-L5 PolarHBondContact O-N 3.27Å; M1-V25 HydrophobicContact CE-CG2 4.42Å; M1-S28 WeakPolarHBondContact CE-OG 3.39Å; M1-S28 WeakPolarHBondContact CG-OG 3.49Å; M1-M41 HydrophobicContact CB-CE 3.78Å | |||
| 2 | D | 93.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.171 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -5.9 | -66.2 | 150.1 | 71.2 | -50.5 | 0 | 0 | 0 | 116.8 | I4 L5 E6 M41 L44 | D2-I4 VanDerWaalsContact C-N 3.3Å; D2-I4 PolarHBondContact O-N 3.27Å; D2-L5 CarbonylContact O-C 3.54Å; D2-L5 WeakPolarHBondContact O-CA 3.21Å; D2-L5 WeakPolarHBondContact O-CB 3.19Å; D2-L5 PolarHBondContact O-N 3Å; D2-E6 PolarHBondContact O-N 3.28Å; D2-M41 HydrophobicContact CB-SD 4.45Å; D2-M41 VanDerWaalsContact N-CE 3.26Å; D2-L44 HydrophobicContact CB-CD2 4.08Å; D2-L44 WeakPolarHBondContact O-CD2 3.15Å |
| 3 | K | 95.9 | Very high | 94.3 | Very high | 134 Ų | 134 | 61.5 Ų | 61.5 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.1 | -27 | -175.4 | -61.2 | -39.9 | -179.8 | -168.1 | 0 | 114.7 | M1 E6 G7 | M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.08Å; K3-E6 WeakPolarHBondContact CD-OE2 3.47Å; K3-E6 WeakPolarHBondContact CE-OE2 3.41Å; K3-E6 IonicContact NZ-OE2 3.22Å; K3-E6 PolarHBondContact NZ-OE2 3.15Å; K3-G7 PolarHBondContact O-N 3.21Å |
| 4 | I | 94.6 | Very high | 94.3 | Very high | 100 Ų | 100 | 63.2 Ų | 63.2 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.6 | -39.4 | 171.3 | -63.9 | 171.2 | 0 | 0 | 0 | 109.5 | M1 D2 L8 I21 | M1-I4 WeakPolarHBondContact O-CA 3.36Å; M1-I4 WeakPolarHBondContact O-CB 3.4Å; M1-I4 PolarHBondContact O-N 3.1Å; M1-I4 HydrophobicContact SD-CD1 3.87Å; D2-I4 VanDerWaalsContact C-N 3.3Å; D2-I4 PolarHBondContact O-N 3.27Å; I4-L8 WeakPolarHBondContact O-CB 3.2Å; I4-L8 PolarHBondContact O-N 3.06Å; I4-I21 HydrophobicContact CG2-CG2 4.19Å |
| 5 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175.3 | -172.6 | 66.4 | 0 | 0 | 0 | 111.9 | M1 D2 L8 V9 V22 V25 M41 L44 T45 L48 V60 V64 | M1-L5 PolarHBondContact O-N 3.27Å; D2-L5 CarbonylContact O-C 3.54Å; D2-L5 WeakPolarHBondContact O-CA 3.21Å; D2-L5 WeakPolarHBondContact O-CB 3.19Å; D2-L5 PolarHBondContact O-N 3Å; L5-L8 WeakPolarHBondContact O-CB 3.34Å; L5-L8 PolarHBondContact O-N 3.47Å; L5-L8 VanDerWaalsContact O-N 3.14Å; L5-V9 HydrophobicContact CD1-CG1 4.37Å; L5-V9 WeakPolarHBondContact O-CG2 3.35Å; L5-V9 PolarHBondContact O-N 3.14Å; L5-V22 HydrophobicContact CD1-CG2 4.22Å; L5-V25 HydrophobicContact CB-CG1 4.5Å; L5-V25 HydrophobicContact CD1-CG1 4.47Å; L5-V25 HydrophobicContact CD1-CG2 4.5Å; L5-V25 HydrophobicContact CD2-CG1 4.36Å; L5-M41 HydrophobicContact CD2-SD 3.98Å; L5-L44 HydrophobicContact CB-CD2 3.94Å; L5-L44 HydrophobicContact CD2-CD2 4Å; L5-L44 HydrophobicContact CG-CD2 4.21Å; L5-T45 HydrophobicContact CD2-CG2 4.29Å; L5-L48 HydrophobicContact CD2-CD1 4.16Å; L5-L48 HydrophobicContact CG-CD1 4.34Å; L5-V60 HydrophobicContact CD1-CG1 3.74Å; L5-V64 HydrophobicContact CD1-CG2 4.49Å; L5-V64 HydrophobicContact CD2-CB 4.35Å; L5-V64 HydrophobicContact CD2-CG1 4.19Å; L5-V64 HydrophobicContact CD2-CG2 4.07Å |
| 6 | E | 95.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 66 Ų | 66 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.8 | -175.8 | 164.7 | -135.4 | 0 | 0 | 112 | D2 K3 V9 S10 L44 R47 | D2-E6 PolarHBondContact O-N 3.28Å; K3-E6 WeakPolarHBondContact CD-OE2 3.47Å; K3-E6 WeakPolarHBondContact CE-OE2 3.41Å; K3-E6 IonicContact NZ-OE2 3.22Å; K3-E6 PolarHBondContact NZ-OE2 3.15Å; E6-V9 WeakPolarHBondContact O-CG2 3.37Å; E6-S10 PolarHBondContact O-N 3Å; E6-S10 PolarHBondContact O-OG 3.36Å; E6-L44 HydrophobicContact CB-CD1 4.06Å; E6-L44 HydrophobicContact CB-CD2 4.03Å; E6-L44 HydrophobicContact CG-CD1 4.29Å; E6-R47 IonicContact OE1-CZ 2.75Å; E6-R47 IonicContact OE1-NH1 2.7Å; E6-R47 PolarHBondContact OE1-NH1 2.98Å; E6-R47 IonicContact OE1-NH2 3.45Å; E6-R47 PolarHBondContact OE1-NH2 2.67Å |
| 7 | G | 94.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K3 S10 S11 | K3-G7 PolarHBondContact O-N 3.21Å; G7-S10 PolarHBondContact O-OG 2.74Å; G7-S11 WeakPolarHBondContact O-CB 3.3Å; G7-S11 PolarHBondContact O-N 2.96Å |
| 8 | L | 94.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.2 | -45.8 | -178.7 | -175.6 | 72.3 | 0 | 0 | 0 | 112.9 | I4 L5 S10 S11 K18 I21 V22 | I4-L8 WeakPolarHBondContact O-CB 3.2Å; I4-L8 PolarHBondContact O-N 3.06Å; L5-L8 WeakPolarHBondContact O-CB 3.34Å; L5-L8 PolarHBondContact O-N 3.47Å; L5-L8 VanDerWaalsContact O-N 3.14Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S11 PolarHBondContact O-N 3.12Å; L8-S11 PolarHBondContact O-OG 3.16Å; L8-K18 HydrophobicContact CD1-CB 4.48Å; L8-K18 HydrophobicContact CD1-CG 4.12Å; L8-K18 HydrophobicContact CG-CB 4.48Å; L8-K18 HydrophobicContact CG-CG 4.3Å; L8-K18 VanDerWaalsContact O-CE 3.25Å; L8-K18 WeakPolarHBondContact O-CE 3.39Å; L8-K18 PolarHBondContact O-NZ 2.87Å; L8-I21 HydrophobicContact CD1-CB 4.04Å; L8-I21 HydrophobicContact CD1-CD1 3.68Å; L8-I21 HydrophobicContact CD1-CG1 4.44Å; L8-I21 HydrophobicContact CD1-CG2 4.19Å; L8-I21 HydrophobicContact CD2-CB 3.67Å; L8-I21 HydrophobicContact CD2-CG2 3.67Å; L8-I21 HydrophobicContact CG-CB 4.5Å; L8-I21 HydrophobicContact CG-CG2 4.45Å; L8-V22 HydrophobicContact CD2-CG2 3.75Å |
| 9 | V | 93.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | -179.1 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | L5 E6 K18 L48 Q57 V60 | L5-V9 HydrophobicContact CD1-CG1 4.37Å; L5-V9 WeakPolarHBondContact O-CG2 3.35Å; L5-V9 PolarHBondContact O-N 3.14Å; E6-V9 WeakPolarHBondContact O-CG2 3.37Å; V9-K18 PolarHBondContact O-NZ 3.19Å; V9-L48 HydrophobicContact CB-CD2 4.27Å; V9-L48 HydrophobicContact CG1-CD1 4.13Å; V9-L48 HydrophobicContact CG1-CD2 4.31Å; V9-L48 HydrophobicContact CG2-CD1 4.38Å; V9-L48 HydrophobicContact CG2-CD2 3.8Å; V9-Q57 HydrophobicContact CB-CG 4.31Å; V9-V60 HydrophobicContact CG1-CG1 4.28Å |
| 10 | S | 92.6 | Very high | 94.4 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 66% | 0.664 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.3 | -21.3 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | E6 G7 L8 | E6-S10 PolarHBondContact O-N 3Å; E6-S10 PolarHBondContact O-OG 3.36Å; G7-S10 PolarHBondContact O-OG 2.74Å; L8-S10 VanDerWaalsContact C-N 3.34Å |
| 11 | S | 94.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -64.1 | 159.5 | 177.6 | 74.6 | 0 | 0 | 0 | 0 | 114.1 | G7 L8 H13 K18 | G7-S11 WeakPolarHBondContact O-CB 3.3Å; G7-S11 PolarHBondContact O-N 2.96Å; L8-S11 PolarHBondContact O-N 3.12Å; L8-S11 PolarHBondContact O-OG 3.16Å; S11-H13 VanDerWaalsContact C-N 3.3Å; S11-H13 VanDerWaalsContact CB-CD2 3.48Å; S11-H13 WeakPolarHBondContact CB-CD2 3.42Å; S11-H13 PolarHBondContact OG-CD2 3.25Å; S11-H13 PolarHBondContact OG-N 2.94Å; S11-K18 WeakPolarHBondContact O-CE 3.17Å; S11-K18 PolarHBondContact O-NZ 3.42Å; S11-K18 WeakPolarHBondContact OG-CE 3.41Å |
| 12 | S | 94.4 | Very high | 94.6 | Very high | 124 Ų | 124 | 65 Ų | 65 | 87% | 0.867 | 36% | 0.363 | S | S | * | . | trans | -89.1 | 16.4 | 169 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 13 | H | 94.7 | Very high | 94.7 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | trans | -64.9 | 149.5 | -175.1 | -68.8 | -39.3 | 0 | 0 | 0 | 113.7 | S11 L17 K18 | S11-H13 VanDerWaalsContact C-N 3.3Å; S11-H13 VanDerWaalsContact CB-CD2 3.48Å; S11-H13 WeakPolarHBondContact CB-CD2 3.42Å; S11-H13 PolarHBondContact OG-CD2 3.25Å; S11-H13 PolarHBondContact OG-N 2.94Å; H13-L17 HydrophobicContact CB-CD2 4.32Å; H13-K18 HydrophobicContact CB-CG 4.23Å; H13-K18 WeakPolarHBondContact O-CE 3.24Å | ||
| 14 | P | 95.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | trans | -55.1 | 139.3 | 179.4 | -27.1 | 35.1 | 0 | 0 | 0 | 113.5 | P16 L17 K18 | P14-P16 VanDerWaalsContact C-CD 3.44Å; P14-P16 VanDerWaalsContact C-N 3.34Å; P14-L17 WeakPolarHBondContact O-CA 3.23Å; P14-L17 WeakPolarHBondContact O-CB 3.42Å; P14-L17 PolarHBondContact O-N 2.87Å; P14-K18 PolarHBondContact O-N 3.43Å | ||
| 15 | L | 93.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 40% | 0.398 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.7 | -37.3 | -177.2 | -174.3 | 62.5 | 0 | 0 | 0 | 114.8 | K18 R19 F56 | L15-K18 PolarHBondContact O-N 2.94Å; L15-R19 HydrophobicContact CD1-CG 4.42Å; L15-R19 WeakPolarHBondContact O-CB 3.14Å; L15-R19 VanDerWaalsContact O-CG 3.32Å; L15-R19 WeakPolarHBondContact O-CG 3.43Å; L15-R19 PolarHBondContact O-N 3.02Å; L15-F56 HydrophobicContact CD1-CD1 4.37Å; L15-F56 HydrophobicContact CD1-CD2 3.66Å; L15-F56 HydrophobicContact CD1-CE1 4.38Å; L15-F56 HydrophobicContact CD1-CE2 3.66Å; L15-F56 HydrophobicContact CD1-CG 4.03Å; L15-F56 HydrophobicContact CD1-CZ 4.04Å |
| 16 | P | 95 | Very high | 94.7 | Very high | 95 Ų | 95 | 66.3 Ų | 66.3 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 173.2 | -23.7 | 35.4 | 0 | 0 | 0 | 113.1 | P14 R19 V20 | P14-P16 VanDerWaalsContact C-CD 3.44Å; P14-P16 VanDerWaalsContact C-N 3.34Å; P16-R19 PolarHBondContact O-N 3.04Å; P16-V20 WeakPolarHBondContact O-CG2 3.47Å; P16-V20 PolarHBondContact O-N 2.94Å |
| 17 | L | 94.4 | Very high | 94.7 | Very high | 82 Ų | 82 | 67 Ų | 67 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.9 | -179.9 | 59.5 | 0 | 0 | 0 | 110.8 | H13 P14 R19 V20 I21 | H13-L17 HydrophobicContact CB-CD2 4.32Å; P14-L17 WeakPolarHBondContact O-CA 3.23Å; P14-L17 WeakPolarHBondContact O-CB 3.42Å; P14-L17 PolarHBondContact O-N 2.87Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3.49Å; L17-V20 PolarHBondContact O-N 2.72Å; L17-I21 HydrophobicContact CD1-CD1 3.85Å; L17-I21 HydrophobicContact CD1-CG1 4.23Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 WeakPolarHBondContact O-CG1 3.3Å; L17-I21 PolarHBondContact O-N 3.3Å |
| 18 | K | 94.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 172.7 | -66.4 | -160.3 | -179.4 | -167 | 0 | 111.5 | L8 V9 S11 H13 P14 L15 V20 I21 V22 F56 | L8-K18 HydrophobicContact CD1-CB 4.48Å; L8-K18 HydrophobicContact CD1-CG 4.12Å; L8-K18 HydrophobicContact CG-CB 4.48Å; L8-K18 HydrophobicContact CG-CG 4.3Å; L8-K18 VanDerWaalsContact O-CE 3.25Å; L8-K18 WeakPolarHBondContact O-CE 3.39Å; L8-K18 PolarHBondContact O-NZ 2.87Å; V9-K18 PolarHBondContact O-NZ 3.19Å; S11-K18 WeakPolarHBondContact O-CE 3.17Å; S11-K18 PolarHBondContact O-NZ 3.42Å; S11-K18 WeakPolarHBondContact OG-CE 3.41Å; H13-K18 HydrophobicContact CB-CG 4.23Å; H13-K18 WeakPolarHBondContact O-CE 3.24Å; P14-K18 PolarHBondContact O-N 3.43Å; L15-K18 PolarHBondContact O-N 2.94Å; K18-V20 PolarHBondContact O-N 3.07Å; K18-I21 PolarHBondContact O-N 3.5Å; K18-V22 WeakPolarHBondContact O-CB 3.47Å; K18-V22 VanDerWaalsContact O-CG2 3.28Å; K18-V22 WeakPolarHBondContact O-CG2 3.32Å; K18-V22 PolarHBondContact O-N 2.85Å; K18-F56 HydrophobicContact CB-CE1 4.09Å; K18-F56 HydrophobicContact CB-CZ 3.73Å; K18-F56 HydrophobicContact CD-CE1 3.72Å; K18-F56 HydrophobicContact CD-CZ 4.25Å |
| 19 | R | 94.4 | Very high | 94.7 | Very high | 152 Ų | 152 | 65.2 Ų | 65.2 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.2 | -36.6 | 178.4 | -74.3 | 172.6 | 176.2 | 179.9 | -1.7 | 113.5 | L15 P16 L17 R23 F56 | L15-R19 HydrophobicContact CD1-CG 4.42Å; L15-R19 WeakPolarHBondContact O-CB 3.14Å; L15-R19 VanDerWaalsContact O-CG 3.32Å; L15-R19 WeakPolarHBondContact O-CG 3.43Å; L15-R19 PolarHBondContact O-N 3.02Å; P16-R19 PolarHBondContact O-N 3.04Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3.49Å; R19-R23 PolarHBondContact O-N 2.92Å; R19-R23 VanDerWaalsContact O-N 3.07Å; R19-F56 HydrophobicContact CG-CE2 4.06Å |
| 20 | V | 96.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 176 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | P16 L17 K18 R23 K24 | P16-V20 WeakPolarHBondContact O-CG2 3.47Å; P16-V20 PolarHBondContact O-N 2.94Å; L17-V20 PolarHBondContact O-N 2.72Å; K18-V20 PolarHBondContact O-N 3.07Å; V20-R23 WeakPolarHBondContact O-CB 3.47Å; V20-R23 PolarHBondContact O-N 3.34Å; V20-K24 PolarHBondContact O-N 3.37Å; V20-K24 VanDerWaalsContact O-N 3.13Å |
| 21 | I | 94.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 71 Ų | 71 | 26% | 0.256 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.9 | -39.3 | 179.8 | -59 | 168 | 0 | 0 | 0 | 110.7 | I4 L8 L17 K18 R23 K24 V25 | I4-I21 HydrophobicContact CG2-CG2 4.19Å; L8-I21 HydrophobicContact CD1-CB 4.04Å; L8-I21 HydrophobicContact CD1-CD1 3.68Å; L8-I21 HydrophobicContact CD1-CG1 4.44Å; L8-I21 HydrophobicContact CD1-CG2 4.19Å; L8-I21 HydrophobicContact CD2-CB 3.67Å; L8-I21 HydrophobicContact CD2-CG2 3.67Å; L8-I21 HydrophobicContact CG-CB 4.5Å; L8-I21 HydrophobicContact CG-CG2 4.45Å; L17-I21 HydrophobicContact CD1-CD1 3.85Å; L17-I21 HydrophobicContact CD1-CG1 4.23Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 WeakPolarHBondContact O-CG1 3.3Å; L17-I21 PolarHBondContact O-N 3.3Å; K18-I21 PolarHBondContact O-N 3.5Å; I21-R23 VanDerWaalsContact C-N 3.31Å; I21-R23 PolarHBondContact O-N 2.89Å; I21-K24 PolarHBondContact O-N 2.96Å; I21-V25 PolarHBondContact O-N 3.17Å |
| 22 | V | 96.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.03 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 170.8 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | L5 L8 K18 K24 V25 V26 F56 V60 V64 | L5-V22 HydrophobicContact CD1-CG2 4.22Å; L8-V22 HydrophobicContact CD2-CG2 3.75Å; K18-V22 WeakPolarHBondContact O-CB 3.47Å; K18-V22 VanDerWaalsContact O-CG2 3.28Å; K18-V22 WeakPolarHBondContact O-CG2 3.32Å; K18-V22 PolarHBondContact O-N 2.85Å; V22-K24 VanDerWaalsContact C-N 3.29Å; V22-K24 PolarHBondContact O-N 2.91Å; V22-V25 WeakPolarHBondContact O-CB 3.48Å; V22-V25 PolarHBondContact O-N 2.9Å; V22-V25 VanDerWaalsContact O-N 3.1Å; V22-V26 PolarHBondContact O-N 2.66Å; V22-F56 HydrophobicContact CG2-CZ 4.33Å; V22-V60 HydrophobicContact CG1-CG1 4.05Å; V22-V60 HydrophobicContact CG1-CG2 4.13Å; V22-V60 HydrophobicContact CG2-CB 4.44Å; V22-V60 HydrophobicContact CG2-CG1 3.7Å; V22-V60 HydrophobicContact CG2-CG2 3.78Å; V22-V64 HydrophobicContact CG1-CG2 4.47Å |
| 23 | R | 95.5 | Very high | 94.8 | Very high | 143 Ų | 143 | 76.4 Ų | 76.4 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 175.3 | -166.6 | -168.6 | -62.9 | 129.3 | 2.2 | 111.5 | R19 V20 I21 V25 V26 E27 | R19-R23 PolarHBondContact O-N 2.92Å; R19-R23 VanDerWaalsContact O-N 3.07Å; V20-R23 WeakPolarHBondContact O-CB 3.47Å; V20-R23 PolarHBondContact O-N 3.34Å; I21-R23 VanDerWaalsContact C-N 3.31Å; I21-R23 PolarHBondContact O-N 2.89Å; R23-V25 VanDerWaalsContact C-N 3.3Å; R23-V25 PolarHBondContact O-N 2.82Å; R23-V26 WeakPolarHBondContact O-CB 3.35Å; R23-V26 PolarHBondContact O-N 2.79Å; R23-E27 WeakPolarHBondContact CD-OE1 3.38Å; R23-E27 WeakPolarHBondContact CG-OE1 3.35Å; R23-E27 WeakPolarHBondContact O-CG 3.35Å; R23-E27 PolarHBondContact O-N 3.23Å |
| 24 | K | 94.8 | Very high | 94.8 | Very high | 107 Ų | 107 | 75 Ų | 75 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.1 | -26.2 | 177.4 | -162.7 | 67.3 | -137.6 | 165.9 | 0 | 113.4 | V20 I21 V22 E27 S28 | V20-K24 PolarHBondContact O-N 3.37Å; V20-K24 VanDerWaalsContact O-N 3.13Å; I21-K24 PolarHBondContact O-N 2.96Å; V22-K24 VanDerWaalsContact C-N 3.29Å; V22-K24 PolarHBondContact O-N 2.91Å; K24-E27 WeakPolarHBondContact CD-OE2 3.41Å; K24-E27 WeakPolarHBondContact CE-OE2 3.07Å; K24-E27 IonicContact NZ-OE2 2.71Å; K24-E27 PolarHBondContact NZ-OE2 3.47Å; K24-S28 PolarHBondContact O-N 2.88Å |
| 25 | V | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 168.8 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | M1 L5 I21 V22 R23 S28 M41 V64 | M1-V25 HydrophobicContact CE-CG2 4.42Å; L5-V25 HydrophobicContact CB-CG1 4.5Å; L5-V25 HydrophobicContact CD1-CG1 4.47Å; L5-V25 HydrophobicContact CD1-CG2 4.5Å; L5-V25 HydrophobicContact CD2-CG1 4.36Å; I21-V25 PolarHBondContact O-N 3.17Å; V22-V25 WeakPolarHBondContact O-CB 3.48Å; V22-V25 PolarHBondContact O-N 2.9Å; V22-V25 VanDerWaalsContact O-N 3.1Å; R23-V25 VanDerWaalsContact C-N 3.3Å; R23-V25 PolarHBondContact O-N 2.82Å; V25-S28 PolarHBondContact O-N 3.02Å; V25-S28 VanDerWaalsContact O-N 3.13Å; V25-S28 PolarHBondContact O-OG 3.12Å; V25-M41 HydrophobicContact CG1-CE 3.56Å; V25-V64 HydrophobicContact CG1-CG1 3.9Å; V25-V64 HydrophobicContact CG1-CG2 4.07Å |
| 26 | V | 96.4 | Very high | 94.7 | Very high | 43 Ų | 43 | 77.9 Ų | 77.9 | 26% | 0.261 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 172.6 | 168 | 0 | 0 | 0 | 0 | 111.4 | V22 R23 S28 A29 V64 A67 | V22-V26 PolarHBondContact O-N 2.66Å; R23-V26 WeakPolarHBondContact O-CB 3.35Å; R23-V26 PolarHBondContact O-N 2.79Å; V26-S28 PolarHBondContact O-N 2.65Å; V26-A29 WeakPolarHBondContact O-CB 3.37Å; V26-A29 PolarHBondContact O-N 2.66Å; V26-A29 VanDerWaalsContact O-N 3.16Å; V26-V64 HydrophobicContact CG2-CG2 3.93Å; V26-A67 HydrophobicContact CG1-CB 3.88Å |
| 27 | E | 94.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 77.8 Ų | 77.8 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -23.8 | 175.1 | -71.3 | 168.4 | -141.7 | 0 | 0 | 113.1 | R23 K24 A29 E30 | R23-E27 WeakPolarHBondContact CD-OE1 3.38Å; R23-E27 WeakPolarHBondContact CG-OE1 3.35Å; R23-E27 WeakPolarHBondContact O-CG 3.35Å; R23-E27 PolarHBondContact O-N 3.23Å; K24-E27 WeakPolarHBondContact CD-OE2 3.41Å; K24-E27 WeakPolarHBondContact CE-OE2 3.07Å; K24-E27 IonicContact NZ-OE2 2.71Å; K24-E27 PolarHBondContact NZ-OE2 3.47Å; E27-A29 VanDerWaalsContact C-N 3.26Å; E27-A29 PolarHBondContact O-N 3.19Å; E27-E30 WeakPolarHBondContact O-CG 3.26Å; E27-E30 PolarHBondContact O-N 2.7Å |
| 28 | S | 95.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 73.9 Ų | 73.9 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -79.4 | -5 | 178.4 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | M1 K24 V25 V26 E30 Y68 | M1-S28 WeakPolarHBondContact CE-OG 3.39Å; M1-S28 WeakPolarHBondContact CG-OG 3.49Å; K24-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-N 3.02Å; V25-S28 VanDerWaalsContact O-N 3.13Å; V25-S28 PolarHBondContact O-OG 3.12Å; V26-S28 PolarHBondContact O-N 2.65Å; S28-E30 PolarHBondContact O-N 3.3Å; S28-Y68 PolarHBondContact OG-OH 2.81Å |
| 29 | A | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -73.6 | -11.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113 | V26 E27 H31 A67 Y68 Y71 H72 | V26-A29 WeakPolarHBondContact O-CB 3.37Å; V26-A29 PolarHBondContact O-N 2.66Å; V26-A29 VanDerWaalsContact O-N 3.16Å; E27-A29 VanDerWaalsContact C-N 3.26Å; E27-A29 PolarHBondContact O-N 3.19Å; A29-H31 PolarHBondContact O-N 3.05Å; A29-A67 HydrophobicContact CB-CB 4.15Å; A29-Y68 HydrophobicContact CB-CD2 3.66Å; A29-Y68 HydrophobicContact CB-CE2 3.76Å; A29-Y68 HydrophobicContact CB-CG 4.11Å; A29-Y71 HydrophobicContact CB-CD2 3.83Å; A29-Y71 WeakPolarHBondContact O-CB 3.39Å; A29-Y71 WeakPolarHBondContact O-CD2 3.46Å; A29-Y71 VanDerWaalsContact O-CG 3.29Å; A29-H72 PolarHBondContact O-NE2 3.3Å |
| 30 | E | 94.4 | Very high | 94.8 | Very high | 117 Ų | 117 | 72.8 Ų | 72.8 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -84.9 | 10.4 | 179.6 | -49.7 | -162.5 | 151.1 | 0 | 0 | 113 | E27 S28 Y71 | E27-E30 WeakPolarHBondContact O-CG 3.26Å; E27-E30 PolarHBondContact O-N 2.7Å; S28-E30 PolarHBondContact O-N 3.3Å; E30-Y71 HydrophobicContact CG-CD2 4.42Å; E30-Y71 HydrophobicContact CG-CE1 4.42Å; E30-Y71 HydrophobicContact CG-CE2 3.69Å; E30-Y71 PolarHBondContact OE1-OH 3.45Å |
| 31 | H | 93.7 | Very high | 94.8 | Very high | 112 Ų | 112 | 69 Ų | 69 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -113.2 | 156.7 | -177.4 | -63.4 | -18.6 | 0 | 0 | 0 | 110.6 | A29 L33 H72 | A29-H31 PolarHBondContact O-N 3.05Å; H31-L33 PolarHBondContact O-N 2.98Å; H31-H72 PolarHBondContact O-CE1 2.88Å; H31-H72 PolarHBondContact O-NE2 2.95Å |
| 32 | W | 93.6 | Very high | 94.9 | Very high | 236 Ų | 236 | 66.7 Ų | 66.7 | 89% | 0.894 | 32% | 0.317 | S | S | * | . | trans | -70.4 | 129.7 | 169.2 | 178.4 | 73.2 | 0 | 0 | 0 | 109.7 | ||||
| 33 | L | 94.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | trans | -128.5 | 159.3 | -179.9 | -55.7 | -180 | 0 | 0 | 0 | 108.7 | H31 Q37 Y68 H72 | H31-L33 PolarHBondContact O-N 2.98Å; L33-Q37 HydrophobicContact CB-CB 4.19Å; L33-Y68 HydrophobicContact CD1-CD1 4.2Å; L33-Y68 HydrophobicContact CD1-CE1 3.42Å; L33-Y68 VanDerWaalsContact CD1-CE1 3.42Å; L33-H72 WeakPolarHBondContact CD1-NE2 3.25Å | ||
| 34 | D | 93.4 | Very high | 95 | Very high | 67 Ų | 67 | 64.1 Ų | 64.1 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -87.1 | 165.5 | 171.2 | 67.3 | 52.7 | 0 | 0 | 0 | 112.4 | A36 Q37 C38 | D34-A36 VanDerWaalsContact C-N 3.27Å; D34-A36 PolarHBondContact O-N 3.36Å; D34-A36 PolarHBondContact OD1-N 3.28Å; D34-A36 VanDerWaalsContact OD1-N 3.13Å; D34-Q37 PolarHBondContact O-N 3.42Å; D34-Q37 VanDerWaalsContact O-N 3.15Å; D34-Q37 WeakPolarHBondContact OD1-CG 3.48Å; D34-Q37 PolarHBondContact OD1-N 2.9Å; D34-Q37 PolarHBondContact OD2-NE2 3.42Å; D34-C38 PolarHBondContact O-N 3.04Å; D34-C38 VanDerWaalsContact O-N 3.09Å; D34-C38 PolarHBondContact O-SG 3.22Å | ||
| 35 | E | 93.5 | Very high | 95.1 | Very high | 161 Ų | 161 | 59 Ų | 59 | 75% | 0.752 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -54.8 | -40.7 | -176.6 | -64 | 172.9 | 168.7 | 0 | 0 | 112.3 | C38 E39 | E35-C38 PolarHBondContact O-N 2.99Å; E35-E39 WeakPolarHBondContact O-CB 3.29Å; E35-E39 PolarHBondContact O-N 3.37Å |
| 36 | A | 94.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 59 Ų | 59 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.5 | -33.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D34 C38 A40 | D34-A36 VanDerWaalsContact C-N 3.27Å; D34-A36 PolarHBondContact O-N 3.36Å; D34-A36 PolarHBondContact OD1-N 3.28Å; D34-A36 VanDerWaalsContact OD1-N 3.13Å; A36-C38 VanDerWaalsContact C-N 3.33Å; A36-A40 VanDerWaalsContact O-CB 3.22Å; A36-A40 WeakPolarHBondContact O-CB 3.26Å; A36-A40 PolarHBondContact O-N 2.78Å |
| 37 | Q | 94.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 172 | -70.8 | 177.1 | 43.8 | 0 | 0 | 112.2 | L33 D34 M41 | L33-Q37 HydrophobicContact CB-CB 4.19Å; D34-Q37 PolarHBondContact O-N 3.42Å; D34-Q37 VanDerWaalsContact O-N 3.15Å; D34-Q37 WeakPolarHBondContact OD1-CG 3.48Å; D34-Q37 PolarHBondContact OD1-N 2.9Å; D34-Q37 PolarHBondContact OD2-NE2 3.42Å; Q37-M41 PolarHBondContact O-N 3.37Å |
| 38 | C | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.3 | -52.9 | 173.1 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | D34 E35 A36 A40 M41 F42 E75 | D34-C38 PolarHBondContact O-N 3.04Å; D34-C38 VanDerWaalsContact O-N 3.09Å; D34-C38 PolarHBondContact O-SG 3.22Å; E35-C38 PolarHBondContact O-N 2.99Å; A36-C38 VanDerWaalsContact C-N 3.33Å; C38-A40 PolarHBondContact O-N 3.04Å; C38-M41 PolarHBondContact O-N 2.89Å; C38-F42 HydrophobicContact CB-CD2 4.4Å; C38-F42 HydrophobicContact CB-CE2 3.82Å; C38-F42 HydrophobicContact CB-CZ 4.4Å; C38-F42 WeakPolarHBondContact O-CD2 3.3Å; C38-F42 WeakPolarHBondContact O-CG 3.45Å; C38-F42 PolarHBondContact O-N 2.63Å; C38-E75 HydrophobicContact CB-CB 3.88Å; C38-E75 HydrophobicContact CB-CG 4.17Å |
| 39 | E | 95.3 | Very high | 95.2 | Very high | 113 Ų | 113 | 58.1 Ų | 58.1 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55 | -48.8 | 178.6 | -173.1 | 172.8 | -144 | 0 | 0 | 111.9 | E35 M41 F42 D43 F79 | E35-E39 WeakPolarHBondContact O-CB 3.29Å; E35-E39 PolarHBondContact O-N 3.37Å; E39-M41 PolarHBondContact O-N 2.91Å; E39-F42 PolarHBondContact O-N 2.94Å; E39-D43 PolarHBondContact O-N 2.85Å; E39-F79 HydrophobicContact CG-CD2 4.37Å |
| 40 | A | 95.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -25.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | A36 C38 L44 | A36-A40 VanDerWaalsContact O-CB 3.22Å; A36-A40 WeakPolarHBondContact O-CB 3.26Å; A36-A40 PolarHBondContact O-N 2.78Å; C38-A40 PolarHBondContact O-N 3.04Å; A40-L44 WeakPolarHBondContact O-CB 3.23Å; A40-L44 PolarHBondContact O-N 2.82Å |
| 41 | M | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.4 | -38.7 | 171.9 | -171 | 63.6 | 91.9 | 0 | 0 | 111.7 | M1 D2 L5 V25 Q37 C38 E39 L44 T45 V64 Y68 | M1-M41 HydrophobicContact CB-CE 3.78Å; D2-M41 HydrophobicContact CB-SD 4.45Å; D2-M41 VanDerWaalsContact N-CE 3.26Å; L5-M41 HydrophobicContact CD2-SD 3.98Å; V25-M41 HydrophobicContact CG1-CE 3.56Å; Q37-M41 PolarHBondContact O-N 3.37Å; C38-M41 PolarHBondContact O-N 2.89Å; E39-M41 PolarHBondContact O-N 2.91Å; M41-L44 PolarHBondContact O-N 2.87Å; M41-T45 HydrophobicContact CG-CG2 4.19Å; M41-T45 WeakPolarHBondContact O-CB 3.18Å; M41-T45 WeakPolarHBondContact O-CG2 3.41Å; M41-T45 PolarHBondContact O-N 2.85Å; M41-T45 PolarHBondContact O-OG1 2.88Å; M41-T45 HydrophobicContact SD-CG2 4.04Å; M41-V64 HydrophobicContact CE-CG1 4Å; M41-V64 HydrophobicContact CG-CG1 3.96Å; M41-V64 HydrophobicContact SD-CG1 3.68Å; M41-Y68 HydrophobicContact CB-CD1 3.91Å; M41-Y68 HydrophobicContact CB-CE1 3.93Å; M41-Y68 HydrophobicContact CB-CG 4.45Å; M41-Y68 HydrophobicContact CE-CE1 4.15Å; M41-Y68 HydrophobicContact CE-CE2 3.72Å; M41-Y68 WeakPolarHBondContact CE-OH 3.49Å; M41-Y68 HydrophobicContact CG-CD1 3.73Å; M41-Y68 HydrophobicContact CG-CD2 3.94Å; M41-Y68 HydrophobicContact CG-CE1 3.77Å; M41-Y68 HydrophobicContact CG-CE2 3.98Å; M41-Y68 HydrophobicContact CG-CG 3.83Å |
| 42 | F | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.8 | -61.4 | -43.1 | 0 | 0 | 0 | 111.7 | C38 E39 T45 T46 L65 A69 H72 E75 F76 F79 | C38-F42 HydrophobicContact CB-CD2 4.4Å; C38-F42 HydrophobicContact CB-CE2 3.82Å; C38-F42 HydrophobicContact CB-CZ 4.4Å; C38-F42 WeakPolarHBondContact O-CD2 3.3Å; C38-F42 WeakPolarHBondContact O-CG 3.45Å; C38-F42 PolarHBondContact O-N 2.63Å; E39-F42 PolarHBondContact O-N 2.94Å; F42-T45 PolarHBondContact O-N 3.38Å; F42-T45 PolarHBondContact O-OG1 2.8Å; F42-T46 WeakPolarHBondContact O-CB 3.5Å; F42-T46 PolarHBondContact O-N 2.9Å; F42-T46 PolarHBondContact O-OG1 2.85Å; F42-L65 HydrophobicContact CD1-CD1 3.65Å; F42-L65 HydrophobicContact CE1-CD1 4.2Å; F42-A69 HydrophobicContact CE1-CB 4.28Å; F42-H72 HydrophobicContact CZ-CB 4.36Å; F42-E75 HydrophobicContact CE2-CB 4Å; F42-F76 AromaticContact CD1-CD2 3.69Å; F42-F76 HydrophobicContact CD1-CD2 3.69Å; F42-F76 HydrophobicContact CD1-CE2 4.31Å; F42-F76 HydrophobicContact CD2-CD2 4.23Å; F42-F76 HydrophobicContact CE1-CB 4.07Å; F42-F76 AromaticContact CE1-CD2 3.67Å; F42-F76 HydrophobicContact CE1-CD2 3.67Å; F42-F76 HydrophobicContact CE1-CG 4.22Å; F42-F76 HydrophobicContact CE2-CB 3.97Å; F42-F76 HydrophobicContact CE2-CD2 4.23Å; F42-F76 AromaticContact CG-CD2 4Å; F42-F76 HydrophobicContact CG-CD2 4Å; F42-F76 HydrophobicContact CZ-CB 3.61Å; F42-F76 AromaticContact CZ-CD2 3.97Å; F42-F76 HydrophobicContact CZ-CD2 3.97Å; F42-F76 HydrophobicContact CZ-CG 4.24Å; F42-F79 HydrophobicContact CB-CD1 3.69Å; F42-F79 HydrophobicContact CB-CD2 3.84Å; F42-F79 HydrophobicContact CB-CE1 3.72Å; F42-F79 HydrophobicContact CB-CE2 3.87Å; F42-F79 HydrophobicContact CB-CG 3.75Å; F42-F79 HydrophobicContact CB-CZ 3.81Å; F42-F79 HydrophobicContact CD2-CB 3.97Å; F42-F79 HydrophobicContact CD2-CG 4.12Å; F42-F79 HydrophobicContact CG-CD1 4.27Å; F42-F79 HydrophobicContact CG-CG 4.24Å |
| 43 | D | 96.2 | Very high | 95 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.6 | -53.8 | 172 | -93 | -28 | 0 | 0 | 0 | 111.9 | E39 T45 T46 R47 | E39-D43 PolarHBondContact O-N 2.85Å; D43-T45 PolarHBondContact O-N 2.87Å; D43-T46 PolarHBondContact O-N 2.86Å; D43-R47 WeakPolarHBondContact O-CB 3.47Å; D43-R47 PolarHBondContact O-N 3.43Å |
| 44 | L | 96.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | -177.4 | 176 | 62 | 0 | 0 | 0 | 111.9 | D2 L5 E6 A40 M41 R47 L48 | D2-L44 HydrophobicContact CB-CD2 4.08Å; D2-L44 WeakPolarHBondContact O-CD2 3.15Å; L5-L44 HydrophobicContact CB-CD2 3.94Å; L5-L44 HydrophobicContact CD2-CD2 4Å; L5-L44 HydrophobicContact CG-CD2 4.21Å; E6-L44 HydrophobicContact CB-CD1 4.06Å; E6-L44 HydrophobicContact CB-CD2 4.03Å; E6-L44 HydrophobicContact CG-CD1 4.29Å; A40-L44 WeakPolarHBondContact O-CB 3.23Å; A40-L44 PolarHBondContact O-N 2.82Å; M41-L44 PolarHBondContact O-N 2.87Å; L44-R47 PolarHBondContact O-N 2.84Å; L44-L48 HydrophobicContact CD1-CD1 4.06Å; L44-L48 HydrophobicContact CD1-CG 4.24Å; L44-L48 HydrophobicContact CG-CD1 4.01Å; L44-L48 WeakPolarHBondContact O-CB 3.46Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 3Å |
| 45 | T | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.9 | -36.7 | -178.5 | 52 | 0 | 0 | 0 | 0 | 112.1 | L5 M41 F42 D43 L48 I49 V64 | L5-T45 HydrophobicContact CD2-CG2 4.29Å; M41-T45 HydrophobicContact CG-CG2 4.19Å; M41-T45 WeakPolarHBondContact O-CB 3.18Å; M41-T45 WeakPolarHBondContact O-CG2 3.41Å; M41-T45 PolarHBondContact O-N 2.85Å; M41-T45 PolarHBondContact O-OG1 2.88Å; M41-T45 HydrophobicContact SD-CG2 4.04Å; F42-T45 PolarHBondContact O-N 3.38Å; F42-T45 PolarHBondContact O-OG1 2.8Å; D43-T45 PolarHBondContact O-N 2.87Å; T45-L48 PolarHBondContact O-N 2.69Å; T45-I49 VanDerWaalsContact O-CG1 3.3Å; T45-I49 WeakPolarHBondContact O-CG1 3.03Å; T45-I49 PolarHBondContact O-N 3.14Å; T45-V64 HydrophobicContact CG2-CB 3.67Å; T45-V64 HydrophobicContact CG2-CG1 3.65Å |
| 46 | T | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.1 | -51.4 | 169.4 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | F42 D43 L48 I49 L50 F79 F84 Y93 Y106 | F42-T46 WeakPolarHBondContact O-CB 3.5Å; F42-T46 PolarHBondContact O-N 2.9Å; F42-T46 PolarHBondContact O-OG1 2.85Å; D43-T46 PolarHBondContact O-N 2.86Å; T46-L48 VanDerWaalsContact C-N 3.27Å; T46-L48 PolarHBondContact O-N 3.26Å; T46-I49 PolarHBondContact O-N 2.77Å; T46-I49 VanDerWaalsContact O-N 3.14Å; T46-L50 HydrophobicContact CG2-CD1 3.84Å; T46-L50 PolarHBondContact O-N 3.46Å; T46-F79 WeakPolarHBondContact OG1-CE1 3.48Å; T46-F84 HydrophobicContact CG2-CZ 4.19Å; T46-Y93 HydrophobicContact CG2-CE2 3.92Å; T46-Y106 HydrophobicContact CG2-CE1 4.35Å; T46-Y106 HydrophobicContact CG2-CE2 3.94Å; T46-Y106 PolarHBondContact OG1-OH 2.92Å; T46-Y106 VanDerWaalsContact OG1-OH 3.06Å |
| 47 | R | 96 | Very high | 94.8 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 33% | 0.328 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -37.3 | 177.2 | -165.3 | -174.7 | 65.1 | -173.3 | -2.3 | 112.1 | E6 D43 L44 E51 Y93 | E6-R47 IonicContact OE1-CZ 2.75Å; E6-R47 IonicContact OE1-NH1 2.7Å; E6-R47 PolarHBondContact OE1-NH1 2.98Å; E6-R47 IonicContact OE1-NH2 3.45Å; E6-R47 PolarHBondContact OE1-NH2 2.67Å; D43-R47 WeakPolarHBondContact O-CB 3.47Å; D43-R47 PolarHBondContact O-N 3.43Å; L44-R47 PolarHBondContact O-N 2.84Å; R47-E51 WeakPolarHBondContact O-CA 3.41Å; R47-E51 PolarHBondContact O-N 2.83Å; R47-Y93 WeakPolarHBondContact CA-OH 3.31Å; R47-Y93 HydrophobicContact CB-CE1 4.45Å; R47-Y93 WeakPolarHBondContact CB-OH 3.31Å; R47-Y93 HydrophobicContact CG-CE1 4.43Å; R47-Y93 PolarHBondContact N-OH 3.33Å |
| 48 | L | 95.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.3 | -29.3 | 177.2 | -72.8 | 171.3 | 0 | 0 | 0 | 113.8 | L5 V9 L44 T45 T46 G52 Q57 R58 | L5-L48 HydrophobicContact CD2-CD1 4.16Å; L5-L48 HydrophobicContact CG-CD1 4.34Å; V9-L48 HydrophobicContact CB-CD2 4.27Å; V9-L48 HydrophobicContact CG1-CD1 4.13Å; V9-L48 HydrophobicContact CG1-CD2 4.31Å; V9-L48 HydrophobicContact CG2-CD1 4.38Å; V9-L48 HydrophobicContact CG2-CD2 3.8Å; L44-L48 HydrophobicContact CD1-CD1 4.06Å; L44-L48 HydrophobicContact CD1-CG 4.24Å; L44-L48 HydrophobicContact CG-CD1 4.01Å; L44-L48 WeakPolarHBondContact O-CB 3.46Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 3Å; T45-L48 PolarHBondContact O-N 2.69Å; T46-L48 VanDerWaalsContact C-N 3.27Å; T46-L48 PolarHBondContact O-N 3.26Å; L48-G52 VanDerWaalsContact O-CA 3.27Å; L48-G52 WeakPolarHBondContact O-CA 3.46Å; L48-G52 PolarHBondContact O-N 3.36Å; L48-Q57 HydrophobicContact CD2-CB 4.37Å; L48-R58 VanDerWaalsContact O-CA 3.29Å; L48-R58 WeakPolarHBondContact O-CA 3.47Å; L48-R58 VanDerWaalsContact O-CG 3.28Å; L48-R58 WeakPolarHBondContact O-CG 3.24Å |
| 49 | I | 96.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.3 | -44.2 | 173.6 | -68.7 | 160.6 | 0 | 0 | 0 | 110.8 | T45 T46 R58 L65 Y106 | T45-I49 VanDerWaalsContact O-CG1 3.3Å; T45-I49 WeakPolarHBondContact O-CG1 3.03Å; T45-I49 PolarHBondContact O-N 3.14Å; T46-I49 PolarHBondContact O-N 2.77Å; T46-I49 VanDerWaalsContact O-N 3.14Å; I49-R58 VanDerWaalsContact O-CD 3.28Å; I49-R58 WeakPolarHBondContact O-CD 3.46Å; I49-R58 VanDerWaalsContact O-CG 3.3Å; I49-R58 WeakPolarHBondContact O-CG 3.4Å; I49-L65 HydrophobicContact CD1-CB 4.18Å; I49-L65 HydrophobicContact CD1-CD2 3.44Å; I49-L65 VanDerWaalsContact CD1-CD2 3.44Å; I49-L65 HydrophobicContact CD1-CG 4.46Å; I49-Y106 HydrophobicContact CB-CD2 4.33Å; I49-Y106 HydrophobicContact CD1-CD2 4.03Å; I49-Y106 HydrophobicContact CD1-CE2 3.99Å; I49-Y106 HydrophobicContact CG2-CD2 3.97Å |
| 50 | L | 94.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -83 | -50.7 | -173.3 | -65.4 | 177.4 | 0 | 0 | 0 | 112.3 | T46 Y93 L96 A102 I103 Y106 | T46-L50 HydrophobicContact CG2-CD1 3.84Å; T46-L50 PolarHBondContact O-N 3.46Å; L50-Y93 HydrophobicContact CB-CD1 3.78Å; L50-Y93 HydrophobicContact CB-CE1 4.05Å; L50-Y93 HydrophobicContact CD1-CD1 3.46Å; L50-Y93 VanDerWaalsContact CD1-CD1 3.46Å; L50-Y93 HydrophobicContact CD1-CD2 3.87Å; L50-Y93 HydrophobicContact CD1-CE1 3.88Å; L50-Y93 HydrophobicContact CD1-CE2 4.26Å; L50-Y93 HydrophobicContact CD1-CG 3.44Å; L50-Y93 VanDerWaalsContact CD1-CG 3.44Å; L50-Y93 HydrophobicContact CG-CD1 4.26Å; L50-L96 HydrophobicContact CB-CD1 3.78Å; L50-L96 HydrophobicContact CD2-CD1 4.01Å; L50-L96 HydrophobicContact CG-CD1 4.41Å; L50-A102 HydrophobicContact CD2-CB 4.09Å; L50-A102 WeakPolarHBondContact CD2-O 3.45Å; L50-I103 HydrophobicContact CD2-CG1 4.29Å; L50-Y106 HydrophobicContact CD2-CG 4.34Å |
| 51 | E | 94.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -103.7 | 10.1 | -175.4 | -55.8 | -165.4 | 119.5 | 0 | 0 | 114 | R47 Q53 Y93 H94 S95 | R47-E51 WeakPolarHBondContact O-CA 3.41Å; R47-E51 PolarHBondContact O-N 2.83Å; E51-Q53 PolarHBondContact O-N 2.79Å; E51-Q53 VanDerWaalsContact O-N 3.15Å; E51-Q53 PolarHBondContact O-NE2 3.14Å; E51-Y93 HydrophobicContact CG-CD1 4.31Å; E51-Y93 HydrophobicContact CG-CE1 4.29Å; E51-H94 VanDerWaalsContact CD-CB 3.47Å; E51-H94 WeakPolarHBondContact OE1-CB 3.14Å; E51-H94 IonicContact OE2-CG 3.3Å; E51-S95 VanDerWaalsContact OE1-CB 3.31Å; E51-S95 WeakPolarHBondContact OE1-CB 3.3Å; E51-S95 PolarHBondContact OE1-N 2.92Å; E51-S95 PolarHBondContact OE1-OG 2.82Å |
| 52 | G | 92.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | trans | -61.9 | 113.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L48 D54 R58 | L48-G52 VanDerWaalsContact O-CA 3.27Å; L48-G52 WeakPolarHBondContact O-CA 3.46Å; L48-G52 PolarHBondContact O-N 3.36Å; G52-D54 PolarHBondContact O-N 2.91Å; G52-D54 VanDerWaalsContact O-N 3.16Å; G52-R58 PolarHBondContact O-NE 2.99Å | ||
| 53 | Q | 89.9 | Confident | 94.8 | Very high | 163 Ų | 163 | 47 Ų | 47 | 76% | 0.762 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -64.1 | -26.1 | -167.9 | -61.2 | -64.2 | -69.7 | 0 | 0 | 113.7 | E51 | E51-Q53 PolarHBondContact O-N 2.79Å; E51-Q53 VanDerWaalsContact O-N 3.15Å; E51-Q53 PolarHBondContact O-NE2 3.14Å |
| 54 | D | 91.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -128.2 | 162.5 | 176.9 | 69.5 | 59.1 | 0 | 0 | 0 | 111.1 | G52 F56 Q57 R58 | G52-D54 PolarHBondContact O-N 2.91Å; G52-D54 VanDerWaalsContact O-N 3.16Å; D54-F56 PolarHBondContact O-N 3.28Å; D54-F56 VanDerWaalsContact OD1-CA 3.25Å; D54-F56 WeakPolarHBondContact OD1-CA 3.32Å; D54-F56 VanDerWaalsContact OD1-CB 3.22Å; D54-F56 WeakPolarHBondContact OD1-CB 3.48Å; D54-F56 PolarHBondContact OD1-N 2.77Å; D54-Q57 PolarHBondContact O-N 2.92Å; D54-Q57 PolarHBondContact OD1-N 3.47Å; D54-Q57 WeakPolarHBondContact OD2-CG 3.34Å; D54-Q57 PolarHBondContact OD2-NE2 3Å; D54-R58 PolarHBondContact O-N 3.43Å |
| 55 | P | 92.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 67% | 0.669 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.8 | -22.7 | 179.4 | -23.9 | 35.3 | 0 | 0 | 0 | 114.2 | Q59 | P55-Q59 VanDerWaalsContact O-CB 3.24Å; P55-Q59 WeakPolarHBondContact O-CB 3.45Å; P55-Q59 PolarHBondContact O-N 3.23Å |
| 56 | F | 93.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 18% | 0.184 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.1 | -41.9 | 176.9 | 166.9 | -96.3 | 0 | 0 | 0 | 111 | L15 K18 R19 V22 D54 R58 Q59 V60 | L15-F56 HydrophobicContact CD1-CD1 4.37Å; L15-F56 HydrophobicContact CD1-CD2 3.66Å; L15-F56 HydrophobicContact CD1-CE1 4.38Å; L15-F56 HydrophobicContact CD1-CE2 3.66Å; L15-F56 HydrophobicContact CD1-CG 4.03Å; L15-F56 HydrophobicContact CD1-CZ 4.04Å; K18-F56 HydrophobicContact CB-CE1 4.09Å; K18-F56 HydrophobicContact CB-CZ 3.73Å; K18-F56 HydrophobicContact CD-CE1 3.72Å; K18-F56 HydrophobicContact CD-CZ 4.25Å; R19-F56 HydrophobicContact CG-CE2 4.06Å; V22-F56 HydrophobicContact CG2-CZ 4.33Å; D54-F56 PolarHBondContact O-N 3.28Å; D54-F56 VanDerWaalsContact OD1-CA 3.25Å; D54-F56 WeakPolarHBondContact OD1-CA 3.32Å; D54-F56 VanDerWaalsContact OD1-CB 3.22Å; D54-F56 WeakPolarHBondContact OD1-CB 3.48Å; D54-F56 PolarHBondContact OD1-N 2.77Å; F56-R58 VanDerWaalsContact C-N 3.35Å; F56-R58 PolarHBondContact O-N 2.78Å; F56-Q59 PolarHBondContact O-N 3.22Å; F56-V60 HydrophobicContact CD1-CG2 4.28Å; F56-V60 HydrophobicContact CD2-CG2 3.97Å; F56-V60 HydrophobicContact CE1-CG2 3.86Å; F56-V60 HydrophobicContact CE2-CG2 3.53Å; F56-V60 HydrophobicContact CG-CG2 4.33Å; F56-V60 HydrophobicContact CZ-CG2 3.47Å; F56-V60 VanDerWaalsContact CZ-CG2 3.47Å; F56-V60 WeakPolarHBondContact O-CB 3.43Å; F56-V60 WeakPolarHBondContact O-CG2 3.24Å; F56-V60 PolarHBondContact O-N 3.31Å |
| 57 | Q | 94.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -47.3 | 174 | -69.2 | 177 | 29.4 | 0 | 0 | 111.7 | V9 L48 D54 V60 G61 | V9-Q57 HydrophobicContact CB-CG 4.31Å; L48-Q57 HydrophobicContact CD2-CB 4.37Å; D54-Q57 PolarHBondContact O-N 2.92Å; D54-Q57 PolarHBondContact OD1-N 3.47Å; D54-Q57 WeakPolarHBondContact OD2-CG 3.34Å; D54-Q57 PolarHBondContact OD2-NE2 3Å; Q57-V60 PolarHBondContact O-N 3.49Å; Q57-G61 PolarHBondContact O-N 3.21Å |
| 58 | R | 94.8 | Very high | 94.8 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 177.2 | -68.5 | -175 | -93.9 | -176 | -7.8 | 112.4 | L48 I49 G52 D54 F56 V60 G61 H62 | L48-R58 VanDerWaalsContact O-CA 3.29Å; L48-R58 WeakPolarHBondContact O-CA 3.47Å; L48-R58 VanDerWaalsContact O-CG 3.28Å; L48-R58 WeakPolarHBondContact O-CG 3.24Å; I49-R58 VanDerWaalsContact O-CD 3.28Å; I49-R58 WeakPolarHBondContact O-CD 3.46Å; I49-R58 VanDerWaalsContact O-CG 3.3Å; I49-R58 WeakPolarHBondContact O-CG 3.4Å; G52-R58 PolarHBondContact O-NE 2.99Å; D54-R58 PolarHBondContact O-N 3.43Å; F56-R58 VanDerWaalsContact C-N 3.35Å; F56-R58 PolarHBondContact O-N 2.78Å; R58-V60 VanDerWaalsContact C-N 3.31Å; R58-V60 PolarHBondContact O-N 3.5Å; R58-G61 PolarHBondContact O-N 3.34Å; R58-H62 PolarHBondContact O-CD2 2.82Å; R58-H62 PolarHBondContact O-N 3.41Å |
| 59 | Q | 95.2 | Very high | 94.7 | Very high | 102 Ų | 102 | 44 Ų | 44 | 48% | 0.477 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.7 | -36.4 | 176.4 | -175.7 | 60.9 | 84.1 | 0 | 0 | 113 | P55 F56 Q63 | P55-Q59 VanDerWaalsContact O-CB 3.24Å; P55-Q59 WeakPolarHBondContact O-CB 3.45Å; P55-Q59 PolarHBondContact O-N 3.23Å; F56-Q59 PolarHBondContact O-N 3.22Å; Q59-Q63 WeakPolarHBondContact O-CB 3.33Å; Q59-Q63 WeakPolarHBondContact O-CG 3.29Å; Q59-Q63 PolarHBondContact O-N 3.15Å |
| 60 | V | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 174.7 | 167 | 0 | 0 | 0 | 0 | 111 | L5 V9 V22 F56 Q57 R58 H62 Q63 V64 | L5-V60 HydrophobicContact CD1-CG1 3.74Å; V9-V60 HydrophobicContact CG1-CG1 4.28Å; V22-V60 HydrophobicContact CG1-CG1 4.05Å; V22-V60 HydrophobicContact CG1-CG2 4.13Å; V22-V60 HydrophobicContact CG2-CB 4.44Å; V22-V60 HydrophobicContact CG2-CG1 3.7Å; V22-V60 HydrophobicContact CG2-CG2 3.78Å; F56-V60 HydrophobicContact CD1-CG2 4.28Å; F56-V60 HydrophobicContact CD2-CG2 3.97Å; F56-V60 HydrophobicContact CE1-CG2 3.86Å; F56-V60 HydrophobicContact CE2-CG2 3.53Å; F56-V60 HydrophobicContact CG-CG2 4.33Å; F56-V60 HydrophobicContact CZ-CG2 3.47Å; F56-V60 VanDerWaalsContact CZ-CG2 3.47Å; F56-V60 WeakPolarHBondContact O-CB 3.43Å; F56-V60 WeakPolarHBondContact O-CG2 3.24Å; F56-V60 PolarHBondContact O-N 3.31Å; Q57-V60 PolarHBondContact O-N 3.49Å; R58-V60 VanDerWaalsContact C-N 3.31Å; R58-V60 PolarHBondContact O-N 3.5Å; V60-H62 PolarHBondContact O-N 3.47Å; V60-Q63 PolarHBondContact O-N 3.14Å; V60-V64 HydrophobicContact CG1-CG2 4.44Å; V60-V64 WeakPolarHBondContact O-CG2 3.4Å; V60-V64 PolarHBondContact O-N 2.86Å |
| 61 | G | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.3 | -51.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q57 R58 Q63 V64 L65 | Q57-G61 PolarHBondContact O-N 3.21Å; R58-G61 PolarHBondContact O-N 3.34Å; G61-Q63 PolarHBondContact O-N 2.64Å; G61-V64 PolarHBondContact O-N 2.96Å; G61-L65 WeakPolarHBondContact O-CB 3.25Å; G61-L65 PolarHBondContact O-N 2.94Å |
| 62 | H | 95.7 | Very high | 94.7 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.1 | -74.2 | -68.6 | 0 | 0 | 0 | 113.2 | R58 V60 V64 L65 E66 | R58-H62 PolarHBondContact O-CD2 2.82Å; R58-H62 PolarHBondContact O-N 3.41Å; V60-H62 PolarHBondContact O-N 3.47Å; H62-V64 PolarHBondContact O-N 3.47Å; H62-L65 PolarHBondContact O-N 2.6Å; H62-E66 VanDerWaalsContact O-CB 3.3Å; H62-E66 WeakPolarHBondContact O-CB 3.46Å; H62-E66 PolarHBondContact O-N 3.27Å |
| 63 | Q | 95.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | -177.3 | -79.2 | 176.3 | -4.4 | 0 | 0 | 113.2 | Q59 V60 G61 A67 | Q59-Q63 WeakPolarHBondContact O-CB 3.33Å; Q59-Q63 WeakPolarHBondContact O-CG 3.29Å; Q59-Q63 PolarHBondContact O-N 3.15Å; V60-Q63 PolarHBondContact O-N 3.14Å; G61-Q63 PolarHBondContact O-N 2.64Å; Q63-A67 WeakPolarHBondContact O-CB 3.24Å; Q63-A67 PolarHBondContact O-N 3.05Å |
| 64 | V | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.6 | -40.2 | 177.6 | -179 | 0 | 0 | 0 | 0 | 110.5 | L5 V22 V25 V26 M41 T45 V60 G61 H62 A67 Y68 | L5-V64 HydrophobicContact CD1-CG2 4.49Å; L5-V64 HydrophobicContact CD2-CB 4.35Å; L5-V64 HydrophobicContact CD2-CG1 4.19Å; L5-V64 HydrophobicContact CD2-CG2 4.07Å; V22-V64 HydrophobicContact CG1-CG2 4.47Å; V25-V64 HydrophobicContact CG1-CG1 3.9Å; V25-V64 HydrophobicContact CG1-CG2 4.07Å; V26-V64 HydrophobicContact CG2-CG2 3.93Å; M41-V64 HydrophobicContact CE-CG1 4Å; M41-V64 HydrophobicContact CG-CG1 3.96Å; M41-V64 HydrophobicContact SD-CG1 3.68Å; T45-V64 HydrophobicContact CG2-CB 3.67Å; T45-V64 HydrophobicContact CG2-CG1 3.65Å; V60-V64 HydrophobicContact CG1-CG2 4.44Å; V60-V64 WeakPolarHBondContact O-CG2 3.4Å; V60-V64 PolarHBondContact O-N 2.86Å; G61-V64 PolarHBondContact O-N 2.96Å; H62-V64 PolarHBondContact O-N 3.47Å; V64-A67 PolarHBondContact O-N 2.87Å; V64-Y68 HydrophobicContact CG1-CD2 3.62Å; V64-Y68 HydrophobicContact CG1-CE2 3.75Å; V64-Y68 WeakPolarHBondContact O-CD2 3.41Å; V64-Y68 PolarHBondContact O-N 2.92Å |
| 65 | L | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 176.1 | 180 | 59.1 | 0 | 0 | 0 | 112.1 | F42 I49 G61 H62 A67 Y68 A69 F76 Y106 L113 | F42-L65 HydrophobicContact CD1-CD1 3.65Å; F42-L65 HydrophobicContact CE1-CD1 4.2Å; I49-L65 HydrophobicContact CD1-CB 4.18Å; I49-L65 HydrophobicContact CD1-CD2 3.44Å; I49-L65 VanDerWaalsContact CD1-CD2 3.44Å; I49-L65 HydrophobicContact CD1-CG 4.46Å; G61-L65 WeakPolarHBondContact O-CB 3.25Å; G61-L65 PolarHBondContact O-N 2.94Å; H62-L65 PolarHBondContact O-N 2.6Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 2.79Å; L65-Y68 PolarHBondContact O-N 3.3Å; L65-A69 VanDerWaalsContact O-CB 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 3.47Å; L65-F76 HydrophobicContact CD1-CD2 4.15Å; L65-F76 HydrophobicContact CD1-CE2 3.67Å; L65-F76 HydrophobicContact CD1-CZ 4.32Å; L65-Y106 HydrophobicContact CD2-CE2 3.63Å; L65-L113 HydrophobicContact CD2-CD1 4.36Å; L65-L113 HydrophobicContact CG-CD1 4.07Å |
| 66 | E | 96.3 | Very high | 95.2 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 52% | 0.523 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -38 | 179.8 | -178.7 | 175.9 | -174.2 | 0 | 0 | 111.7 | H62 R70 L113 | H62-E66 VanDerWaalsContact O-CB 3.3Å; H62-E66 WeakPolarHBondContact O-CB 3.46Å; H62-E66 PolarHBondContact O-N 3.27Å; E66-R70 WeakPolarHBondContact O-CB 3.46Å; E66-R70 PolarHBondContact O-N 3.44Å; E66-L113 HydrophobicContact CB-CD2 4.4Å; E66-L113 HydrophobicContact CG-CD2 4.14Å |
| 67 | A | 95.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -50.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V26 A29 Q63 V64 L65 R70 Y71 | V26-A67 HydrophobicContact CG1-CB 3.88Å; A29-A67 HydrophobicContact CB-CB 4.15Å; Q63-A67 WeakPolarHBondContact O-CB 3.24Å; Q63-A67 PolarHBondContact O-N 3.05Å; V64-A67 PolarHBondContact O-N 2.87Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 2.79Å; A67-R70 WeakPolarHBondContact O-CB 3.38Å; A67-R70 PolarHBondContact O-N 3.05Å; A67-Y71 WeakPolarHBondContact O-CD2 3.29Å; A67-Y71 PolarHBondContact O-N 3.28Å |
| 68 | Y | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | -178.8 | -87.3 | -106.9 | 0 | 0 | 0 | 111.8 | S28 A29 L33 M41 V64 L65 R70 Y71 H72 | S28-Y68 PolarHBondContact OG-OH 2.81Å; A29-Y68 HydrophobicContact CB-CD2 3.66Å; A29-Y68 HydrophobicContact CB-CE2 3.76Å; A29-Y68 HydrophobicContact CB-CG 4.11Å; L33-Y68 HydrophobicContact CD1-CD1 4.2Å; L33-Y68 HydrophobicContact CD1-CE1 3.42Å; L33-Y68 VanDerWaalsContact CD1-CE1 3.42Å; M41-Y68 HydrophobicContact CB-CD1 3.91Å; M41-Y68 HydrophobicContact CB-CE1 3.93Å; M41-Y68 HydrophobicContact CB-CG 4.45Å; M41-Y68 HydrophobicContact CE-CE1 4.15Å; M41-Y68 HydrophobicContact CE-CE2 3.72Å; M41-Y68 WeakPolarHBondContact CE-OH 3.49Å; M41-Y68 HydrophobicContact CG-CD1 3.73Å; M41-Y68 HydrophobicContact CG-CD2 3.94Å; M41-Y68 HydrophobicContact CG-CE1 3.77Å; M41-Y68 HydrophobicContact CG-CE2 3.98Å; M41-Y68 HydrophobicContact CG-CG 3.83Å; V64-Y68 HydrophobicContact CG1-CD2 3.62Å; V64-Y68 HydrophobicContact CG1-CE2 3.75Å; V64-Y68 WeakPolarHBondContact O-CD2 3.41Å; V64-Y68 PolarHBondContact O-N 2.92Å; L65-Y68 PolarHBondContact O-N 3.3Å; Y68-R70 PolarHBondContact O-N 2.85Å; Y68-Y71 PolarHBondContact O-N 3.16Å; Y68-H72 WeakPolarHBondContact O-CA 3.37Å; Y68-H72 WeakPolarHBondContact O-CB 3.45Å; Y68-H72 PolarHBondContact O-N 3.28Å |
| 69 | A | 95 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.9 | -12.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F42 L65 R73 F76 L113 | F42-A69 HydrophobicContact CE1-CB 4.28Å; L65-A69 VanDerWaalsContact O-CB 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 3.47Å; A69-R73 PolarHBondContact O-NH2 3.37Å; A69-R73 VanDerWaalsContact O-NH2 3.1Å; A69-F76 HydrophobicContact CB-CB 3.84Å; A69-F76 HydrophobicContact CB-CD1 3.6Å; A69-F76 HydrophobicContact CB-CD2 3.97Å; A69-F76 HydrophobicContact CB-CE1 4.17Å; A69-F76 HydrophobicContact CB-CE2 4.5Å; A69-F76 HydrophobicContact CB-CG 3.49Å; A69-F76 VanDerWaalsContact CB-CG 3.49Å; A69-L113 HydrophobicContact CB-CB 4.17Å; A69-L113 HydrophobicContact CB-CD1 3.86Å; A69-L113 HydrophobicContact CB-CD2 4.19Å; A69-L113 HydrophobicContact CB-CG 4.29Å |
| 70 | R | 94.3 | Very high | 95.4 | Very high | 175 Ų | 175 | 44 Ų | 44 | 66% | 0.66 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -80.8 | -43.7 | 171.4 | 176.5 | 175.3 | 176.3 | 158.7 | -1.4 | 111.9 | E66 A67 Y68 | E66-R70 WeakPolarHBondContact O-CB 3.46Å; E66-R70 PolarHBondContact O-N 3.44Å; A67-R70 WeakPolarHBondContact O-CB 3.38Å; A67-R70 PolarHBondContact O-N 3.05Å; Y68-R70 PolarHBondContact O-N 2.85Å |
| 71 | Y | 93.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -88.2 | -37.4 | -179 | -70.2 | -71.1 | 0 | 0 | 0 | 113.1 | A29 E30 A67 Y68 | A29-Y71 HydrophobicContact CB-CD2 3.83Å; A29-Y71 WeakPolarHBondContact O-CB 3.39Å; A29-Y71 WeakPolarHBondContact O-CD2 3.46Å; A29-Y71 VanDerWaalsContact O-CG 3.29Å; E30-Y71 HydrophobicContact CG-CD2 4.42Å; E30-Y71 HydrophobicContact CG-CE1 4.42Å; E30-Y71 HydrophobicContact CG-CE2 3.69Å; E30-Y71 PolarHBondContact OE1-OH 3.45Å; A67-Y71 WeakPolarHBondContact O-CD2 3.29Å; A67-Y71 PolarHBondContact O-N 3.28Å; Y68-Y71 PolarHBondContact O-N 3.16Å |
| 72 | H | 95.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.06 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -109.1 | 68 | 179.2 | -55.1 | -73.9 | 0 | 0 | 0 | 110.5 | A29 H31 L33 F42 Y68 E75 F76 | A29-H72 PolarHBondContact O-NE2 3.3Å; H31-H72 PolarHBondContact O-CE1 2.88Å; H31-H72 PolarHBondContact O-NE2 2.95Å; L33-H72 WeakPolarHBondContact CD1-NE2 3.25Å; F42-H72 HydrophobicContact CZ-CB 4.36Å; Y68-H72 WeakPolarHBondContact O-CA 3.37Å; Y68-H72 WeakPolarHBondContact O-CB 3.45Å; Y68-H72 PolarHBondContact O-N 3.28Å; H72-E75 WeakPolarHBondContact CA-OE2 3.5Å; H72-E75 HydrophobicContact CB-CB 4.29Å; H72-E75 HydrophobicContact CB-CG 4.4Å; H72-E75 VanDerWaalsContact CB-OE2 3.32Å; H72-E75 WeakPolarHBondContact CB-OE2 3.4Å; H72-F76 WeakPolarHBondContact O-CB 3.5Å; H72-F76 PolarHBondContact O-N 3.3Å; H72-F76 VanDerWaalsContact O-N 3.16Å |
| 73 | R | 94 | Very high | 95.3 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -77.6 | -44.9 | -171.8 | 178.3 | 172.1 | -64.7 | -89.4 | -42.3 | 114 | A69 E75 F76 E77 L113 S116 C117 | A69-R73 PolarHBondContact O-NH2 3.37Å; A69-R73 VanDerWaalsContact O-NH2 3.1Å; R73-E75 VanDerWaalsContact C-N 3.29Å; R73-E75 PolarHBondContact N-OE2 2.91Å; R73-E75 PolarHBondContact O-N 3.42Å; R73-F76 PolarHBondContact O-N 2.84Å; R73-E77 PolarHBondContact O-N 3.26Å; R73-L113 PolarHBondContact NH1-O 3Å; R73-L113 PolarHBondContact NH2-O 3.41Å; R73-S116 PolarHBondContact NH1-OG 3.43Å; R73-C117 VanDerWaalsContact CG-SG 3.59Å |
| 74 | P | 93.3 | Very high | 95.3 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 173.3 | -24.3 | 35.1 | 0 | 0 | 0 | 112.8 | E77 S78 | P74-E77 WeakPolarHBondContact O-CB 3.37Å; P74-E77 PolarHBondContact O-N 3Å; P74-S78 PolarHBondContact O-N 3.18Å; P74-S78 PolarHBondContact O-OG 2.65Å |
| 75 | E | 94.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 178.8 | -56.3 | 76.2 | -171.1 | 0 | 0 | 110.4 | C38 F42 H72 R73 S78 F79 | C38-E75 HydrophobicContact CB-CB 3.88Å; C38-E75 HydrophobicContact CB-CG 4.17Å; F42-E75 HydrophobicContact CE2-CB 4Å; H72-E75 WeakPolarHBondContact CA-OE2 3.5Å; H72-E75 HydrophobicContact CB-CB 4.29Å; H72-E75 HydrophobicContact CB-CG 4.4Å; H72-E75 VanDerWaalsContact CB-OE2 3.32Å; H72-E75 WeakPolarHBondContact CB-OE2 3.4Å; R73-E75 VanDerWaalsContact C-N 3.29Å; R73-E75 PolarHBondContact N-OE2 2.91Å; R73-E75 PolarHBondContact O-N 3.42Å; E75-S78 PolarHBondContact O-N 2.96Å; E75-F79 PolarHBondContact O-N 2.91Å |
| 76 | F | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 173.2 | -170.3 | -111.6 | 0 | 0 | 0 | 113.3 | F42 L65 A69 H72 R73 S78 F79 F80 L113 I114 | F42-F76 AromaticContact CD1-CD2 3.69Å; F42-F76 HydrophobicContact CD1-CD2 3.69Å; F42-F76 HydrophobicContact CD1-CE2 4.31Å; F42-F76 HydrophobicContact CD2-CD2 4.23Å; F42-F76 HydrophobicContact CE1-CB 4.07Å; F42-F76 AromaticContact CE1-CD2 3.67Å; F42-F76 HydrophobicContact CE1-CD2 3.67Å; F42-F76 HydrophobicContact CE1-CG 4.22Å; F42-F76 HydrophobicContact CE2-CB 3.97Å; F42-F76 HydrophobicContact CE2-CD2 4.23Å; F42-F76 AromaticContact CG-CD2 4Å; F42-F76 HydrophobicContact CG-CD2 4Å; F42-F76 HydrophobicContact CZ-CB 3.61Å; F42-F76 AromaticContact CZ-CD2 3.97Å; F42-F76 HydrophobicContact CZ-CD2 3.97Å; F42-F76 HydrophobicContact CZ-CG 4.24Å; L65-F76 HydrophobicContact CD1-CD2 4.15Å; L65-F76 HydrophobicContact CD1-CE2 3.67Å; L65-F76 HydrophobicContact CD1-CZ 4.32Å; A69-F76 HydrophobicContact CB-CB 3.84Å; A69-F76 HydrophobicContact CB-CD1 3.6Å; A69-F76 HydrophobicContact CB-CD2 3.97Å; A69-F76 HydrophobicContact CB-CE1 4.17Å; A69-F76 HydrophobicContact CB-CE2 4.5Å; A69-F76 HydrophobicContact CB-CG 3.49Å; A69-F76 VanDerWaalsContact CB-CG 3.49Å; H72-F76 WeakPolarHBondContact O-CB 3.5Å; H72-F76 PolarHBondContact O-N 3.3Å; H72-F76 VanDerWaalsContact O-N 3.16Å; R73-F76 PolarHBondContact O-N 2.84Å; F76-S78 VanDerWaalsContact C-N 3.35Å; F76-F79 HydrophobicContact CD2-CD1 4.18Å; F76-F79 AromaticContact CE2-CD1 3.94Å; F76-F79 HydrophobicContact CE2-CD1 3.94Å; F76-F79 PolarHBondContact O-N 3.06Å; F76-F80 HydrophobicContact CD1-CB 4.36Å; F76-F80 HydrophobicContact CE1-CB 3.86Å; F76-F80 HydrophobicContact CE1-CG 4.15Å; F76-F80 HydrophobicContact CE2-CB 4.07Å; F76-F80 HydrophobicContact CZ-CB 3.71Å; F76-F80 HydrophobicContact CZ-CD2 4.19Å; F76-F80 AromaticContact CZ-CG 3.97Å; F76-F80 HydrophobicContact CZ-CG 3.97Å; F76-F80 WeakPolarHBondContact O-CB 3.34Å; F76-F80 PolarHBondContact O-N 3.12Å; F76-L113 HydrophobicContact CD1-CB 4.02Å; F76-L113 HydrophobicContact CE1-CB 3.64Å; F76-L113 HydrophobicContact CE1-CD1 3.91Å; F76-L113 HydrophobicContact CE1-CG 4.43Å; F76-L113 HydrophobicContact CZ-CD1 4.03Å; F76-I114 HydrophobicContact CD1-CG2 3.56Å; F76-I114 HydrophobicContact CE1-CG2 3.76Å |
| 77 | E | 95.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 51 Ų | 51 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 171.1 | 163.8 | 161.7 | -128.1 | 0 | 0 | 111.9 | R73 P74 C117 P118 S119 | R73-E77 PolarHBondContact O-N 3.26Å; P74-E77 WeakPolarHBondContact O-CB 3.37Å; P74-E77 PolarHBondContact O-N 3Å; E77-C117 HydrophobicContact CB-CB 4.5Å; E77-C117 VanDerWaalsContact CD-CB 3.47Å; E77-C117 HydrophobicContact CG-CB 4.45Å; E77-C117 VanDerWaalsContact OE1-CB 3.27Å; E77-C117 WeakPolarHBondContact OE1-CB 3.49Å; E77-C117 WeakPolarHBondContact OE2-CB 3.38Å; E77-P118 WeakPolarHBondContact OE1-CD 3.48Å; E77-S119 WeakPolarHBondContact CG-OG 3.26Å; E77-S119 WeakPolarHBondContact OE1-CB 3.49Å; E77-S119 PolarHBondContact OE1-N 2.83Å; E77-S119 PolarHBondContact OE1-OG 3.24Å |
| 78 | S | 94.1 | Very high | 95.1 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 62% | 0.615 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 173.1 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | P74 E75 F76 N81 | P74-S78 PolarHBondContact O-N 3.18Å; P74-S78 PolarHBondContact O-OG 2.65Å; E75-S78 PolarHBondContact O-N 2.96Å; F76-S78 VanDerWaalsContact C-N 3.35Å; S78-N81 WeakPolarHBondContact O-CB 3.33Å; S78-N81 PolarHBondContact O-ND2 3.46Å |
| 79 | F | 95.7 | Very high | 95.1 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.6 | -54.1 | 177.1 | -179.9 | -97 | 0 | 0 | 0 | 112.5 | E39 F42 T46 E75 F76 N81 F84 | E39-F79 HydrophobicContact CG-CD2 4.37Å; F42-F79 HydrophobicContact CB-CD1 3.69Å; F42-F79 HydrophobicContact CB-CD2 3.84Å; F42-F79 HydrophobicContact CB-CE1 3.72Å; F42-F79 HydrophobicContact CB-CE2 3.87Å; F42-F79 HydrophobicContact CB-CG 3.75Å; F42-F79 HydrophobicContact CB-CZ 3.81Å; F42-F79 HydrophobicContact CD2-CB 3.97Å; F42-F79 HydrophobicContact CD2-CG 4.12Å; F42-F79 HydrophobicContact CG-CD1 4.27Å; F42-F79 HydrophobicContact CG-CG 4.24Å; T46-F79 WeakPolarHBondContact OG1-CE1 3.48Å; E75-F79 PolarHBondContact O-N 2.91Å; F76-F79 HydrophobicContact CD2-CD1 4.18Å; F76-F79 AromaticContact CE2-CD1 3.94Å; F76-F79 HydrophobicContact CE2-CD1 3.94Å; F76-F79 PolarHBondContact O-N 3.06Å; F79-N81 PolarHBondContact O-N 3.13Å; F79-N81 PolarHBondContact O-ND2 2.72Å; F79-F84 HydrophobicContact CE1-CE1 4.14Å; F79-F84 HydrophobicContact CE1-CZ 4.39Å; F79-F84 HydrophobicContact CZ-CZ 4.35Å |
| 80 | F | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -80.9 | 47.1 | -178.3 | -168.2 | -105.1 | 0 | 0 | 0 | 112.2 | F76 F84 V85 Y106 I107 I114 L123 | F76-F80 HydrophobicContact CD1-CB 4.36Å; F76-F80 HydrophobicContact CE1-CB 3.86Å; F76-F80 HydrophobicContact CE1-CG 4.15Å; F76-F80 HydrophobicContact CE2-CB 4.07Å; F76-F80 HydrophobicContact CZ-CB 3.71Å; F76-F80 HydrophobicContact CZ-CD2 4.19Å; F76-F80 AromaticContact CZ-CG 3.97Å; F76-F80 HydrophobicContact CZ-CG 3.97Å; F76-F80 WeakPolarHBondContact O-CB 3.34Å; F76-F80 PolarHBondContact O-N 3.12Å; F80-F84 HydrophobicContact CD2-CD1 4.3Å; F80-F84 HydrophobicContact CD2-CE1 4.49Å; F80-V85 HydrophobicContact CD1-CG2 4.26Å; F80-V85 HydrophobicContact CD2-CG2 4.07Å; F80-V85 HydrophobicContact CE1-CG2 3.9Å; F80-V85 HydrophobicContact CE2-CG2 3.69Å; F80-V85 HydrophobicContact CG-CG2 4.34Å; F80-V85 HydrophobicContact CZ-CG2 3.59Å; F80-Y106 AromaticContact CD2-CE1 4Å; F80-Y106 HydrophobicContact CD2-CE1 4Å; F80-Y106 HydrophobicContact CE2-CD1 4.32Å; F80-Y106 AromaticContact CE2-CE1 3.79Å; F80-Y106 HydrophobicContact CE2-CE1 3.79Å; F80-I107 HydrophobicContact CZ-CG2 4.35Å; F80-I114 HydrophobicContact CD1-CD1 3.89Å; F80-I114 HydrophobicContact CD1-CG1 4.06Å; F80-I114 HydrophobicContact CD1-CG2 4.23Å; F80-I114 HydrophobicContact CE1-CD1 4.15Å; F80-I114 HydrophobicContact CE1-CG1 4.29Å; F80-L123 HydrophobicContact CD1-CD1 4.29Å; F80-L123 HydrophobicContact CE1-CD1 4.34Å |
| 81 | N | 94.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | trans | -81.2 | 170.8 | -175.6 | 67.9 | 68 | 0 | 0 | 0 | 113.4 | S78 F79 T83 F84 V85 | S78-N81 WeakPolarHBondContact O-CB 3.33Å; S78-N81 PolarHBondContact O-ND2 3.46Å; F79-N81 PolarHBondContact O-N 3.13Å; F79-N81 PolarHBondContact O-ND2 2.72Å; N81-T83 VanDerWaalsContact C-N 3.29Å; N81-T83 PolarHBondContact O-N 2.8Å; N81-T83 WeakPolarHBondContact OD1-CA 3.44Å; N81-T83 VanDerWaalsContact OD1-CB 3.3Å; N81-T83 WeakPolarHBondContact OD1-CB 3.28Å; N81-T83 PolarHBondContact OD1-N 3.39Å; N81-F84 PolarHBondContact O-N 3.35Å; N81-F84 VanDerWaalsContact O-N 3.16Å; N81-F84 PolarHBondContact OD1-N 3.31Å; N81-V85 PolarHBondContact O-N 3.45Å | ||
| 82 | K | 94.8 | Very high | 95 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.4 | -37.9 | -179.7 | -168.3 | 175.7 | -174.9 | 162.3 | 0 | 114 | L86 D122 L123 L126 | K82-L86 VanDerWaalsContact O-CB 3.23Å; K82-L86 WeakPolarHBondContact O-CB 3.42Å; K82-L86 PolarHBondContact O-N 2.81Å; K82-L86 VanDerWaalsContact O-N 3.09Å; K82-D122 IonicContact NZ-OD1 3.5Å; K82-L123 HydrophobicContact CB-CD2 4.37Å; K82-L126 HydrophobicContact CG-CD2 3.96Å |
| 83 | T | 95.5 | Very high | 95 | Very high | 115 Ų | 115 | 48.3 Ų | 48.3 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -72 | -41.2 | -179.8 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | N81 L86 G87 | N81-T83 VanDerWaalsContact C-N 3.29Å; N81-T83 PolarHBondContact O-N 2.8Å; N81-T83 WeakPolarHBondContact OD1-CA 3.44Å; N81-T83 VanDerWaalsContact OD1-CB 3.3Å; N81-T83 WeakPolarHBondContact OD1-CB 3.28Å; N81-T83 PolarHBondContact OD1-N 3.39Å; T83-L86 PolarHBondContact O-N 3.05Å; T83-G87 PolarHBondContact O-N 3.41Å |
| 84 | F | 95.7 | Very high | 95 | Very high | 49 Ų | 49 | 52.2 Ų | 52.2 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 177.6 | -177.1 | -112 | 0 | 0 | 0 | 111.9 | T46 F79 F80 N81 L86 G87 L88 Y106 | T46-F84 HydrophobicContact CG2-CZ 4.19Å; F79-F84 HydrophobicContact CE1-CE1 4.14Å; F79-F84 HydrophobicContact CE1-CZ 4.39Å; F79-F84 HydrophobicContact CZ-CZ 4.35Å; F80-F84 HydrophobicContact CD2-CD1 4.3Å; F80-F84 HydrophobicContact CD2-CE1 4.49Å; N81-F84 PolarHBondContact O-N 3.35Å; N81-F84 VanDerWaalsContact O-N 3.16Å; N81-F84 PolarHBondContact OD1-N 3.31Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 3.09Å; F84-G87 PolarHBondContact O-N 3.23Å; F84-G87 VanDerWaalsContact O-N 3.11Å; F84-L88 HydrophobicContact CD1-CD1 4.18Å; F84-L88 HydrophobicContact CE1-CD1 3.73Å; F84-L88 HydrophobicContact CE1-CG 4.3Å; F84-L88 HydrophobicContact CZ-CD1 4.08Å; F84-L88 HydrophobicContact CZ-CD2 4.23Å; F84-L88 HydrophobicContact CZ-CG 4.25Å; F84-L88 WeakPolarHBondContact O-CG 3.24Å; F84-L88 PolarHBondContact O-N 2.94Å; F84-Y106 HydrophobicContact CE1-CE1 4.01Å |
| 85 | V | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 177.1 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | F80 N81 L89 I107 L123 L126 | F80-V85 HydrophobicContact CD1-CG2 4.26Å; F80-V85 HydrophobicContact CD2-CG2 4.07Å; F80-V85 HydrophobicContact CE1-CG2 3.9Å; F80-V85 HydrophobicContact CE2-CG2 3.69Å; F80-V85 HydrophobicContact CG-CG2 4.34Å; F80-V85 HydrophobicContact CZ-CG2 3.59Å; N81-V85 PolarHBondContact O-N 3.45Å; V85-L89 HydrophobicContact CG1-CD1 4.17Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.46Å; V85-I107 HydrophobicContact CG1-CD1 4.2Å; V85-I107 HydrophobicContact CG1-CG1 4.36Å; V85-I107 HydrophobicContact CG1-CG2 4.22Å; V85-L123 HydrophobicContact CB-CD2 3.88Å; V85-L123 HydrophobicContact CG1-CD2 4.19Å; V85-L123 HydrophobicContact CG2-CD2 3.83Å; V85-L126 HydrophobicContact CG1-CD2 4.46Å |
| 86 | L | 96.1 | Very high | 94.8 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 175.9 | -170.9 | 57.6 | 0 | 0 | 0 | 112.9 | K82 T83 F84 L89 H90 L126 E130 | K82-L86 VanDerWaalsContact O-CB 3.23Å; K82-L86 WeakPolarHBondContact O-CB 3.42Å; K82-L86 PolarHBondContact O-N 2.81Å; K82-L86 VanDerWaalsContact O-N 3.09Å; T83-L86 PolarHBondContact O-N 3.05Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 3.09Å; L86-L89 PolarHBondContact O-N 3.29Å; L86-H90 VanDerWaalsContact CD1-CE1 3.48Å; L86-H90 WeakPolarHBondContact CD1-CE1 3.18Å; L86-H90 VanDerWaalsContact CD1-ND1 3.25Å; L86-H90 WeakPolarHBondContact CD1-ND1 3.48Å; L86-H90 PolarHBondContact O-N 3.28Å; L86-H90 PolarHBondContact O-ND1 3.21Å; L86-L126 HydrophobicContact CB-CD2 4.05Å; L86-L126 HydrophobicContact CD1-CD1 4.07Å; L86-L126 HydrophobicContact CD1-CD2 4.33Å; L86-L126 HydrophobicContact CD2-CD1 4.39Å; L86-E130 HydrophobicContact CD1-CG 4.05Å; L86-E130 WeakPolarHBondContact CD1-OE1 3.38Å |
| 87 | G | 95.6 | Very high | 94.7 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T83 F84 L89 H90 Q91 | T83-G87 PolarHBondContact O-N 3.41Å; F84-G87 PolarHBondContact O-N 3.23Å; F84-G87 VanDerWaalsContact O-N 3.11Å; G87-L89 VanDerWaalsContact C-N 3.28Å; G87-L89 PolarHBondContact O-N 2.98Å; G87-H90 PolarHBondContact O-N 2.88Å; G87-H90 VanDerWaalsContact O-N 3.17Å; G87-Q91 PolarHBondContact O-N 3.35Å; G87-Q91 PolarHBondContact O-OE1 2.85Å; G87-Q91 VanDerWaalsContact O-OE1 3.11Å |
| 88 | L | 95.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.6 | -44.4 | 174.6 | -71.1 | 179.6 | 0 | 0 | 0 | 112.5 | F84 H90 G92 Y93 I103 Y106 I107 | F84-L88 HydrophobicContact CD1-CD1 4.18Å; F84-L88 HydrophobicContact CE1-CD1 3.73Å; F84-L88 HydrophobicContact CE1-CG 4.3Å; F84-L88 HydrophobicContact CZ-CD1 4.08Å; F84-L88 HydrophobicContact CZ-CD2 4.23Å; F84-L88 HydrophobicContact CZ-CG 4.25Å; F84-L88 WeakPolarHBondContact O-CG 3.24Å; F84-L88 PolarHBondContact O-N 2.94Å; L88-H90 PolarHBondContact O-N 3.13Å; L88-G92 WeakPolarHBondContact O-CA 3.42Å; L88-G92 PolarHBondContact O-N 3.47Å; L88-Y93 HydrophobicContact CD2-CD2 3.74Å; L88-Y93 HydrophobicContact CD2-CG 4.16Å; L88-I103 HydrophobicContact CB-CG2 3.76Å; L88-I103 HydrophobicContact CD2-CG2 4.42Å; L88-I103 HydrophobicContact CG-CG2 4.47Å; L88-Y106 HydrophobicContact CD1-CD1 4Å; L88-Y106 HydrophobicContact CD1-CE1 4.22Å; L88-I107 HydrophobicContact CB-CD1 4.14Å; L88-I107 HydrophobicContact CD1-CD1 4.24Å; L88-I107 HydrophobicContact CD1-CG1 3.98Å |
| 89 | L | 95.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.7 | -11.4 | -176.8 | -67.9 | 171.5 | 0 | 0 | 0 | 114.9 | V85 L86 G87 L104 I107 L127 E130 R133 | V85-L89 HydrophobicContact CG1-CD1 4.17Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.46Å; L86-L89 PolarHBondContact O-N 3.29Å; G87-L89 VanDerWaalsContact C-N 3.28Å; G87-L89 PolarHBondContact O-N 2.98Å; L89-L104 HydrophobicContact CD2-CD1 4.47Å; L89-I107 HydrophobicContact CD1-CD1 4.2Å; L89-I107 HydrophobicContact CD2-CD1 3.65Å; L89-I107 HydrophobicContact CG-CD1 3.7Å; L89-L127 HydrophobicContact CD1-CD2 3.85Å; L89-E130 HydrophobicContact CD1-CB 3.97Å; L89-E130 HydrophobicContact CD1-CG 4.12Å; L89-R133 PolarHBondContact O-NH2 3.43Å |
| 90 | H | 95.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -116.3 | -41.7 | -178.6 | -83.5 | 109.8 | 0 | 0 | 0 | 114.3 | L86 G87 L88 R98 E130 R133 | L86-H90 VanDerWaalsContact CD1-CE1 3.48Å; L86-H90 WeakPolarHBondContact CD1-CE1 3.18Å; L86-H90 VanDerWaalsContact CD1-ND1 3.25Å; L86-H90 WeakPolarHBondContact CD1-ND1 3.48Å; L86-H90 PolarHBondContact O-N 3.28Å; L86-H90 PolarHBondContact O-ND1 3.21Å; G87-H90 PolarHBondContact O-N 2.88Å; G87-H90 VanDerWaalsContact O-N 3.17Å; L88-H90 PolarHBondContact O-N 3.13Å; H90-R98 WeakPolarHBondContact O-CD 3.37Å; H90-E130 IonicContact CE1-OE1 3.53Å; H90-E130 PolarHBondContact CE1-OE1 3.18Å; H90-E130 IonicContact CE1-OE2 3.28Å; H90-E130 PolarHBondContact CE1-OE2 3.3Å; H90-E130 IonicContact ND1-OE2 3.3Å; H90-E130 IonicContact NE2-OE2 3Å; H90-R133 PolarHBondContact NE2-NE 3.06Å; H90-R133 PolarHBondContact NE2-NH2 2.86Å |
| 91 | Q | 93.9 | Very high | 94.3 | Very high | 151 Ų | 151 | 60.7 Ų | 60.7 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -102.4 | -20.8 | -178.2 | -72 | 78.2 | 15.6 | 0 | 0 | 113.3 | G87 | G87-Q91 PolarHBondContact O-N 3.35Å; G87-Q91 PolarHBondContact O-OE1 2.85Å; G87-Q91 VanDerWaalsContact O-OE1 3.11Å |
| 92 | G | 93.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | trans | 87.2 | -154.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L88 L96 | L88-G92 WeakPolarHBondContact O-CA 3.42Å; L88-G92 PolarHBondContact O-N 3.47Å; G92-L96 WeakPolarHBondContact CA-O 3.38Å | ||
| 93 | Y | 95.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -145.2 | 110.3 | 178.2 | -175.6 | -92.4 | 0 | 0 | 0 | 111.2 | T46 R47 L50 E51 L88 S95 L96 | T46-Y93 HydrophobicContact CG2-CE2 3.92Å; R47-Y93 WeakPolarHBondContact CA-OH 3.31Å; R47-Y93 HydrophobicContact CB-CE1 4.45Å; R47-Y93 WeakPolarHBondContact CB-OH 3.31Å; R47-Y93 HydrophobicContact CG-CE1 4.43Å; R47-Y93 PolarHBondContact N-OH 3.33Å; L50-Y93 HydrophobicContact CB-CD1 3.78Å; L50-Y93 HydrophobicContact CB-CE1 4.05Å; L50-Y93 HydrophobicContact CD1-CD1 3.46Å; L50-Y93 VanDerWaalsContact CD1-CD1 3.46Å; L50-Y93 HydrophobicContact CD1-CD2 3.87Å; L50-Y93 HydrophobicContact CD1-CE1 3.88Å; L50-Y93 HydrophobicContact CD1-CE2 4.26Å; L50-Y93 HydrophobicContact CD1-CG 3.44Å; L50-Y93 VanDerWaalsContact CD1-CG 3.44Å; L50-Y93 HydrophobicContact CG-CD1 4.26Å; E51-Y93 HydrophobicContact CG-CD1 4.31Å; E51-Y93 HydrophobicContact CG-CE1 4.29Å; L88-Y93 HydrophobicContact CD2-CD2 3.74Å; L88-Y93 HydrophobicContact CD2-CG 4.16Å; Y93-S95 PolarHBondContact O-N 2.8Å; Y93-L96 PolarHBondContact N-O 2.99Å; Y93-L96 WeakPolarHBondContact O-CB 3.34Å; Y93-L96 PolarHBondContact O-N 2.82Å |
| 94 | H | 93.3 | Very high | 94.4 | Very high | 150 Ų | 150 | 49.5 Ų | 49.5 | 69% | 0.694 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -103.5 | -179.7 | -71.1 | -107.6 | 0 | 0 | 0 | 113 | E51 | E51-H94 VanDerWaalsContact CD-CB 3.47Å; E51-H94 WeakPolarHBondContact OE1-CB 3.14Å; E51-H94 IonicContact OE2-CG 3.3Å |
| 95 | S | 90.8 | Very high | 94.3 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 67% | 0.671 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.5 | 175.9 | 62.1 | 0 | 0 | 0 | 0 | 115 | E51 Y93 | E51-S95 VanDerWaalsContact OE1-CB 3.31Å; E51-S95 WeakPolarHBondContact OE1-CB 3.3Å; E51-S95 PolarHBondContact OE1-N 2.92Å; E51-S95 PolarHBondContact OE1-OG 2.82Å; Y93-S95 PolarHBondContact O-N 2.8Å |
| 96 | L | 92.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 132.9 | 178.4 | -56.4 | -170 | 0 | 0 | 0 | 111.9 | L50 G92 Y93 D100 A102 I103 | L50-L96 HydrophobicContact CB-CD1 3.78Å; L50-L96 HydrophobicContact CD2-CD1 4.01Å; L50-L96 HydrophobicContact CG-CD1 4.41Å; G92-L96 WeakPolarHBondContact CA-O 3.38Å; Y93-L96 PolarHBondContact N-O 2.99Å; Y93-L96 WeakPolarHBondContact O-CB 3.34Å; Y93-L96 PolarHBondContact O-N 2.82Å; L96-D100 HydrophobicContact CB-CB 4.14Å; L96-D100 HydrophobicContact CD1-CB 4.42Å; L96-A102 HydrophobicContact CD1-CB 4.27Å; L96-I103 HydrophobicContact CB-CD1 4.04Å; L96-I103 HydrophobicContact CB-CG1 4.37Å; L96-I103 HydrophobicContact CD1-CG1 4.06Å |
| 97 | D | 93.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 46.7 Ų | 46.7 | 48% | 0.476 | 25% | 0.245 | S | C | . | . | trans | -73.9 | 160.3 | 170.8 | 114.1 | -83.3 | 0 | 0 | 0 | 111.5 | K99 D100 I103 | D97-K99 PolarHBondContact O-N 2.75Å; D97-K99 VanDerWaalsContact O-N 3.11Å; D97-K99 PolarHBondContact OD1-N 2.93Å; D97-K99 WeakPolarHBondContact OD2-CB 3.18Å; D97-K99 PolarHBondContact OD2-N 3.22Å; D97-D100 WeakPolarHBondContact O-CB 3.44Å; D97-D100 PolarHBondContact O-N 2.85Å; D97-D100 PolarHBondContact OD1-N 3.38Å; D97-I103 VanDerWaalsContact O-CD1 3.27Å; D97-I103 WeakPolarHBondContact O-CD1 3.07Å | ||
| 98 | R | 91.6 | Very high | 94.4 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.1 | -179.3 | 79.2 | -174.6 | -162.3 | -170.1 | 6.8 | 114.9 | H90 E137 | H90-R98 WeakPolarHBondContact O-CD 3.37Å; R98-E137 IonicContact CZ-OE2 2.84Å; R98-E137 IonicContact NE-OE2 3.46Å; R98-E137 IonicContact NH2-OE1 2.65Å; R98-E137 PolarHBondContact NH2-OE1 2.96Å; R98-E137 IonicContact NH2-OE2 2.89Å; R98-E137 PolarHBondContact NH2-OE2 3.03Å |
| 99 | K | 92.5 | Very high | 94.4 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.6 | 174.4 | -63.2 | -169.4 | 174.8 | -165.9 | 0 | 112.9 | D97 V101 L143 | D97-K99 PolarHBondContact O-N 2.75Å; D97-K99 VanDerWaalsContact O-N 3.11Å; D97-K99 PolarHBondContact OD1-N 2.93Å; D97-K99 WeakPolarHBondContact OD2-CB 3.18Å; D97-K99 PolarHBondContact OD2-N 3.22Å; K99-V101 PolarHBondContact O-N 3.09Å; K99-L143 HydrophobicContact CB-CD2 3.9Å; K99-L143 HydrophobicContact CG-CD2 4.33Å; K99-L143 WeakPolarHBondContact O-CD1 3.45Å; K99-L143 WeakPolarHBondContact O-CD2 3.36Å |
| 100 | D | 95.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | trans | -64.7 | 133.3 | 177.3 | -164.8 | -67 | 0 | 0 | 0 | 111.4 | L96 D97 A102 I103 | L96-D100 HydrophobicContact CB-CB 4.14Å; L96-D100 HydrophobicContact CD1-CB 4.42Å; D97-D100 WeakPolarHBondContact O-CB 3.44Å; D97-D100 PolarHBondContact O-N 2.85Å; D97-D100 PolarHBondContact OD1-N 3.38Å; D100-A102 PolarHBondContact O-N 2.76Å; D100-A102 WeakPolarHBondContact OD1-CB 3.48Å; D100-A102 PolarHBondContact OD1-N 3.18Å; D100-I103 HydrophobicContact CB-CG1 4.46Å; D100-I103 PolarHBondContact O-N 2.99Å | ||
| 101 | V | 94.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 45 Ų | 45 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -26.7 | -177.2 | -60 | 0 | 0 | 0 | 0 | 113.1 | K99 L104 D105 Q142 L143 R146 | K99-V101 PolarHBondContact O-N 3.09Å; V101-L104 PolarHBondContact O-N 3.28Å; V101-D105 WeakPolarHBondContact O-CB 3.34Å; V101-D105 PolarHBondContact O-N 3.25Å; V101-Q142 HydrophobicContact CG1-CB 4.36Å; V101-Q142 HydrophobicContact CG1-CG 4Å; V101-L143 HydrophobicContact CG1-CB 4.17Å; V101-L143 HydrophobicContact CG1-CD1 4.19Å; V101-R146 HydrophobicContact CB-CG 4.31Å |
| 102 | A | 94 | Very high | 94.4 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.8 | -32.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L50 L96 D100 D105 Y106 | L50-A102 HydrophobicContact CD2-CB 4.09Å; L50-A102 WeakPolarHBondContact CD2-O 3.45Å; L96-A102 HydrophobicContact CD1-CB 4.27Å; D100-A102 PolarHBondContact O-N 2.76Å; D100-A102 WeakPolarHBondContact OD1-CB 3.48Å; D100-A102 PolarHBondContact OD1-N 3.18Å; A102-D105 PolarHBondContact O-N 2.7Å; A102-Y106 VanDerWaalsContact O-CB 3.26Å; A102-Y106 WeakPolarHBondContact O-CB 3.38Å; A102-Y106 PolarHBondContact O-N 3.05Å |
| 103 | I | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.8 | -64.3 | -175.1 | 0 | 0 | 0 | 110.2 | L50 L88 L96 D97 D100 Y106 I107 | L50-I103 HydrophobicContact CD2-CG1 4.29Å; L88-I103 HydrophobicContact CB-CG2 3.76Å; L88-I103 HydrophobicContact CD2-CG2 4.42Å; L88-I103 HydrophobicContact CG-CG2 4.47Å; L96-I103 HydrophobicContact CB-CD1 4.04Å; L96-I103 HydrophobicContact CB-CG1 4.37Å; L96-I103 HydrophobicContact CD1-CG1 4.06Å; D97-I103 VanDerWaalsContact O-CD1 3.27Å; D97-I103 WeakPolarHBondContact O-CD1 3.07Å; D100-I103 HydrophobicContact CB-CG1 4.46Å; D100-I103 PolarHBondContact O-N 2.99Å; I103-Y106 PolarHBondContact O-N 3.25Å; I103-I107 HydrophobicContact CG2-CD1 4Å; I103-I107 WeakPolarHBondContact O-CG1 3.21Å; I103-I107 PolarHBondContact O-N 3.47Å |
| 104 | L | 95.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.2 | -34 | -179.9 | -165 | 61 | 0 | 0 | 0 | 112.2 | L89 V101 I107 H108 M134 L143 R146 L147 L150 | L89-L104 HydrophobicContact CD2-CD1 4.47Å; V101-L104 PolarHBondContact O-N 3.28Å; L104-I107 PolarHBondContact O-N 3.41Å; L104-H108 VanDerWaalsContact O-CB 3.31Å; L104-H108 WeakPolarHBondContact O-CB 3.43Å; L104-H108 PolarHBondContact O-N 2.87Å; L104-M134 HydrophobicContact CD2-CE 4.04Å; L104-M134 HydrophobicContact CD2-SD 4.25Å; L104-L143 HydrophobicContact CB-CD1 4.28Å; L104-L143 HydrophobicContact CD2-CD1 3.92Å; L104-R146 HydrophobicContact CD2-CB 4.16Å; L104-L147 HydrophobicContact CD2-CB 3.79Å; L104-L147 HydrophobicContact CD2-CD1 4.4Å; L104-L150 HydrophobicContact CD1-CD1 3.78Å; L104-L150 HydrophobicContact CG-CD1 4.27Å |
| 105 | D | 95.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 173 | -143.4 | 57.2 | 0 | 0 | 0 | 112 | V101 A102 H108 N109 R146 | V101-D105 WeakPolarHBondContact O-CB 3.34Å; V101-D105 PolarHBondContact O-N 3.25Å; A102-D105 PolarHBondContact O-N 2.7Å; D105-H108 WeakPolarHBondContact O-CB 3.31Å; D105-H108 PolarHBondContact O-N 3.06Å; D105-H108 IonicContact OD1-CE1 2.69Å; D105-N109 WeakPolarHBondContact O-CB 3.45Å; D105-N109 PolarHBondContact O-N 2.93Å; D105-R146 IonicContact OD1-CZ 2.66Å; D105-R146 IonicContact OD1-NH1 2.74Å; D105-R146 PolarHBondContact OD1-NH1 2.94Å; D105-R146 IonicContact OD2-NH1 2.69Å; D105-R146 PolarHBondContact OD2-NH1 3.43Å; D105-R146 VanDerWaalsContact OD2-NH1 3.17Å |
| 106 | Y | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 172.3 | 178.3 | -88.7 | 0 | 0 | 0 | 111.6 | T46 I49 L50 L65 F80 F84 L88 A102 I103 H108 N109 G110 | T46-Y106 HydrophobicContact CG2-CE1 4.35Å; T46-Y106 HydrophobicContact CG2-CE2 3.94Å; T46-Y106 PolarHBondContact OG1-OH 2.92Å; T46-Y106 VanDerWaalsContact OG1-OH 3.06Å; I49-Y106 HydrophobicContact CB-CD2 4.33Å; I49-Y106 HydrophobicContact CD1-CD2 4.03Å; I49-Y106 HydrophobicContact CD1-CE2 3.99Å; I49-Y106 HydrophobicContact CG2-CD2 3.97Å; L50-Y106 HydrophobicContact CD2-CG 4.34Å; L65-Y106 HydrophobicContact CD2-CE2 3.63Å; F80-Y106 AromaticContact CD2-CE1 4Å; F80-Y106 HydrophobicContact CD2-CE1 4Å; F80-Y106 HydrophobicContact CE2-CD1 4.32Å; F80-Y106 AromaticContact CE2-CE1 3.79Å; F80-Y106 HydrophobicContact CE2-CE1 3.79Å; F84-Y106 HydrophobicContact CE1-CE1 4.01Å; L88-Y106 HydrophobicContact CD1-CD1 4Å; L88-Y106 HydrophobicContact CD1-CE1 4.22Å; A102-Y106 VanDerWaalsContact O-CB 3.26Å; A102-Y106 WeakPolarHBondContact O-CB 3.38Å; A102-Y106 PolarHBondContact O-N 3.05Å; I103-Y106 PolarHBondContact O-N 3.25Å; Y106-H108 VanDerWaalsContact C-N 3.31Å; Y106-H108 PolarHBondContact O-N 3.23Å; Y106-N109 PolarHBondContact O-N 2.9Å; Y106-G110 PolarHBondContact O-N 3.37Å |
| 107 | I | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.4 | -68.6 | 165.8 | 0 | 0 | 0 | 110.6 | F80 V85 L88 L89 I103 L104 N109 G110 L111 L127 L150 | F80-I107 HydrophobicContact CZ-CG2 4.35Å; V85-I107 HydrophobicContact CG1-CD1 4.2Å; V85-I107 HydrophobicContact CG1-CG1 4.36Å; V85-I107 HydrophobicContact CG1-CG2 4.22Å; L88-I107 HydrophobicContact CB-CD1 4.14Å; L88-I107 HydrophobicContact CD1-CD1 4.24Å; L88-I107 HydrophobicContact CD1-CG1 3.98Å; L89-I107 HydrophobicContact CD1-CD1 4.2Å; L89-I107 HydrophobicContact CD2-CD1 3.65Å; L89-I107 HydrophobicContact CG-CD1 3.7Å; I103-I107 HydrophobicContact CG2-CD1 4Å; I103-I107 WeakPolarHBondContact O-CG1 3.21Å; I103-I107 PolarHBondContact O-N 3.47Å; L104-I107 PolarHBondContact O-N 3.41Å; I107-N109 VanDerWaalsContact C-N 3.32Å; I107-N109 PolarHBondContact O-N 3.28Å; I107-G110 PolarHBondContact O-N 2.87Å; I107-L111 HydrophobicContact CG2-CD1 4.35Å; I107-L111 WeakPolarHBondContact O-CG 3.44Å; I107-L111 PolarHBondContact O-N 3.27Å; I107-L127 HydrophobicContact CG2-CD2 4.47Å; I107-L150 HydrophobicContact CG2-CD1 4.29Å |
| 108 | H | 96.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 175.1 | -173.2 | -165 | 0 | 0 | 0 | 112.4 | L104 D105 Y106 K112 D149 L150 D153 F154 | L104-H108 VanDerWaalsContact O-CB 3.31Å; L104-H108 WeakPolarHBondContact O-CB 3.43Å; L104-H108 PolarHBondContact O-N 2.87Å; D105-H108 WeakPolarHBondContact O-CB 3.31Å; D105-H108 PolarHBondContact O-N 3.06Å; D105-H108 IonicContact OD1-CE1 2.69Å; Y106-H108 VanDerWaalsContact C-N 3.31Å; Y106-H108 PolarHBondContact O-N 3.23Å; H108-K112 PolarHBondContact NE2-NZ 2.88Å; H108-K112 WeakPolarHBondContact O-CG 3.28Å; H108-K112 PolarHBondContact O-N 2.88Å; H108-D149 VanDerWaalsContact NE2-C 3.31Å; H108-D149 WeakPolarHBondContact NE2-CB 3.24Å; H108-D149 PolarHBondContact NE2-O 3.03Å; H108-L150 HydrophobicContact CB-CB 4.26Å; H108-L150 HydrophobicContact CB-CD1 4.04Å; H108-L150 HydrophobicContact CB-CG 4.14Å; H108-D153 IonicContact NE2-OD2 2.66Å; H108-D153 PolarHBondContact NE2-OD2 3.17Å; H108-F154 AromaticContact CD2-CD2 3.99Å; H108-F154 AromaticContact CD2-CE2 3.83Å |
| 109 | N | 95.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | 174.6 | -168.5 | -95.6 | 0 | 0 | 0 | 111.8 | D105 Y106 I107 L111 K112 L113 | D105-N109 WeakPolarHBondContact O-CB 3.45Å; D105-N109 PolarHBondContact O-N 2.93Å; Y106-N109 PolarHBondContact O-N 2.9Å; I107-N109 VanDerWaalsContact C-N 3.32Å; I107-N109 PolarHBondContact O-N 3.28Å; N109-L111 PolarHBondContact O-N 3.3Å; N109-K112 WeakPolarHBondContact O-CA 3.39Å; N109-K112 WeakPolarHBondContact O-CB 3.33Å; N109-K112 PolarHBondContact O-N 3.01Å; N109-L113 PolarHBondContact O-N 3.43Å; N109-L113 VanDerWaalsContact O-N 3.09Å |
| 110 | G | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y106 I107 K112 L113 I114 | Y106-G110 PolarHBondContact O-N 3.37Å; I107-G110 PolarHBondContact O-N 2.87Å; G110-K112 VanDerWaalsContact C-N 3.27Å; G110-K112 PolarHBondContact O-N 2.91Å; G110-L113 WeakPolarHBondContact O-CB 3.19Å; G110-L113 PolarHBondContact O-N 3.2Å; G110-I114 WeakPolarHBondContact O-CG1 3.24Å; G110-I114 PolarHBondContact O-N 3.38Å |
| 111 | L | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -36.5 | 173.7 | -71.7 | 170.4 | 0 | 0 | 0 | 113.1 | I107 N109 M115 V120 F124 L127 L150 F154 | I107-L111 HydrophobicContact CG2-CD1 4.35Å; I107-L111 WeakPolarHBondContact O-CG 3.44Å; I107-L111 PolarHBondContact O-N 3.27Å; N109-L111 PolarHBondContact O-N 3.3Å; L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 PolarHBondContact O-N 3.47Å; L111-M115 VanDerWaalsContact O-N 3.08Å; L111-V120 HydrophobicContact CD2-CG2 4.22Å; L111-F124 HydrophobicContact CD2-CD1 4.47Å; L111-F124 HydrophobicContact CD2-CE1 4.26Å; L111-L127 HydrophobicContact CD1-CD1 3.73Å; L111-L127 HydrophobicContact CD2-CD1 4.02Å; L111-L127 HydrophobicContact CG-CD1 4.39Å; L111-L150 HydrophobicContact CD1-CD1 4.32Å; L111-L150 HydrophobicContact CD1-CD2 4.13Å; L111-L150 HydrophobicContact CD1-CG 4.24Å; L111-F154 HydrophobicContact CB-CD2 4.13Å; L111-F154 HydrophobicContact CB-CE1 4.25Å; L111-F154 HydrophobicContact CB-CE2 3.62Å; L111-F154 HydrophobicContact CB-CZ 3.69Å; L111-F154 HydrophobicContact CD1-CD2 4.07Å; L111-F154 HydrophobicContact CD1-CE2 4.37Å; L111-F154 HydrophobicContact CD1-CG 4.42Å |
| 112 | K | 94.6 | Very high | 93.7 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.6 | -34.5 | 175.6 | -68.9 | 170.1 | 177.1 | 171.2 | 0 | 111.9 | H108 N109 G110 D153 F154 | H108-K112 PolarHBondContact NE2-NZ 2.88Å; H108-K112 WeakPolarHBondContact O-CG 3.28Å; H108-K112 PolarHBondContact O-N 2.88Å; N109-K112 WeakPolarHBondContact O-CA 3.39Å; N109-K112 WeakPolarHBondContact O-CB 3.33Å; N109-K112 PolarHBondContact O-N 3.01Å; G110-K112 VanDerWaalsContact C-N 3.27Å; G110-K112 PolarHBondContact O-N 2.91Å; K112-D153 WeakPolarHBondContact CE-OD2 3.49Å; K112-D153 IonicContact NZ-OD2 2.67Å; K112-D153 PolarHBondContact NZ-OD2 2.91Å; K112-F154 HydrophobicContact CB-CZ 4.46Å; K112-F154 HydrophobicContact CG-CE2 3.75Å; K112-F154 HydrophobicContact CG-CZ 3.66Å |
| 113 | L | 93.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -45.3 | 176.1 | -63.5 | 170.2 | 0 | 0 | 0 | 111.1 | L65 E66 A69 R73 F76 N109 G110 | L65-L113 HydrophobicContact CD2-CD1 4.36Å; L65-L113 HydrophobicContact CG-CD1 4.07Å; E66-L113 HydrophobicContact CB-CD2 4.4Å; E66-L113 HydrophobicContact CG-CD2 4.14Å; A69-L113 HydrophobicContact CB-CB 4.17Å; A69-L113 HydrophobicContact CB-CD1 3.86Å; A69-L113 HydrophobicContact CB-CD2 4.19Å; A69-L113 HydrophobicContact CB-CG 4.29Å; R73-L113 PolarHBondContact NH1-O 3Å; R73-L113 PolarHBondContact NH2-O 3.41Å; F76-L113 HydrophobicContact CD1-CB 4.02Å; F76-L113 HydrophobicContact CE1-CB 3.64Å; F76-L113 HydrophobicContact CE1-CD1 3.91Å; F76-L113 HydrophobicContact CE1-CG 4.43Å; F76-L113 HydrophobicContact CZ-CD1 4.03Å; N109-L113 PolarHBondContact O-N 3.43Å; N109-L113 VanDerWaalsContact O-N 3.09Å; G110-L113 WeakPolarHBondContact O-CB 3.19Å; G110-L113 PolarHBondContact O-N 3.2Å |
| 114 | I | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -88.3 | 2.1 | -177.9 | 64.2 | 149.5 | 0 | 0 | 0 | 116.1 | F76 F80 G110 S116 C117 V120 L123 | F76-I114 HydrophobicContact CD1-CG2 3.56Å; F76-I114 HydrophobicContact CE1-CG2 3.76Å; F80-I114 HydrophobicContact CD1-CD1 3.89Å; F80-I114 HydrophobicContact CD1-CG1 4.06Å; F80-I114 HydrophobicContact CD1-CG2 4.23Å; F80-I114 HydrophobicContact CE1-CD1 4.15Å; F80-I114 HydrophobicContact CE1-CG1 4.29Å; G110-I114 WeakPolarHBondContact O-CG1 3.24Å; G110-I114 PolarHBondContact O-N 3.38Å; I114-S116 PolarHBondContact O-N 2.89Å; I114-C117 HydrophobicContact CB-CB 4.49Å; I114-C117 WeakPolarHBondContact O-CB 3.31Å; I114-C117 PolarHBondContact O-N 3.39Å; I114-C117 PolarHBondContact O-SG 3Å; I114-C117 VanDerWaalsContact O-SG 3.33Å; I114-V120 HydrophobicContact CD1-CB 4.01Å; I114-V120 HydrophobicContact CD1-CG2 3.88Å; I114-V120 HydrophobicContact CG1-CG2 4.21Å; I114-L123 HydrophobicContact CD1-CD1 3.32Å |
| 115 | M | 90 | Very high | 93.6 | Very high | 111 Ų | 111 | 40 Ų | 40 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.4 | -170.2 | 66.5 | 160.8 | 56.3 | 0 | 0 | 116.8 | L111 F154 | L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 PolarHBondContact O-N 3.47Å; L111-M115 VanDerWaalsContact O-N 3.08Å; M115-F154 HydrophobicContact CB-CE1 4.43Å; M115-F154 HydrophobicContact CE-CE1 4.06Å; M115-F154 HydrophobicContact CE-CZ 4.03Å |
| 116 | S | 89.8 | Confident | 93.6 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 59% | 0.594 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.2 | 176.1 | 70.5 | 0 | 0 | 0 | 0 | 114.3 | R73 I114 | R73-S116 PolarHBondContact NH1-OG 3.43Å; I114-S116 PolarHBondContact O-N 2.89Å |
| 117 | C | 91.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -108.8 | 147.9 | -168 | -44.3 | 0 | 0 | 0 | 0 | 111.4 | R73 E77 I114 S119 V120 | R73-C117 VanDerWaalsContact CG-SG 3.59Å; E77-C117 HydrophobicContact CB-CB 4.5Å; E77-C117 VanDerWaalsContact CD-CB 3.47Å; E77-C117 HydrophobicContact CG-CB 4.45Å; E77-C117 VanDerWaalsContact OE1-CB 3.27Å; E77-C117 WeakPolarHBondContact OE1-CB 3.49Å; E77-C117 WeakPolarHBondContact OE2-CB 3.38Å; I114-C117 HydrophobicContact CB-CB 4.49Å; I114-C117 WeakPolarHBondContact O-CB 3.31Å; I114-C117 PolarHBondContact O-N 3.39Å; I114-C117 PolarHBondContact O-SG 3Å; I114-C117 VanDerWaalsContact O-SG 3.33Å; C117-S119 VanDerWaalsContact C-N 3.32Å; C117-S119 PolarHBondContact O-N 2.86Å; C117-V120 VanDerWaalsContact O-CG1 3.29Å; C117-V120 WeakPolarHBondContact O-CG1 3.32Å; C117-V120 PolarHBondContact O-N 3.13Å |
| 118 | P | 89.5 | Confident | 93.6 | Very high | 102 Ų | 102 | 41.2 Ų | 41.2 | 66% | 0.662 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -36.8 | -174.4 | -24.9 | 35 | 0 | 0 | 0 | 114.7 | E77 V120 L121 | E77-P118 WeakPolarHBondContact OE1-CD 3.48Å; P118-V120 PolarHBondContact O-N 3.17Å; P118-V120 VanDerWaalsContact O-N 3.09Å; P118-L121 PolarHBondContact O-N 3.23Å |
| 119 | S | 90.2 | Very high | 93.6 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.5 | -179.5 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | E77 C117 L121 D122 L123 | E77-S119 WeakPolarHBondContact CG-OG 3.26Å; E77-S119 WeakPolarHBondContact OE1-CB 3.49Å; E77-S119 PolarHBondContact OE1-N 2.83Å; E77-S119 PolarHBondContact OE1-OG 3.24Å; C117-S119 VanDerWaalsContact C-N 3.32Å; C117-S119 PolarHBondContact O-N 2.86Å; S119-L121 PolarHBondContact O-N 2.99Å; S119-L121 VanDerWaalsContact O-N 3.14Å; S119-D122 PolarHBondContact O-N 2.6Å; S119-D122 VanDerWaalsContact O-N 3.09Å; S119-L123 PolarHBondContact O-N 3.14Å; S119-L123 VanDerWaalsContact O-N 3.07Å |
| 120 | V | 93.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -27.2 | -178.3 | 84.5 | 0 | 0 | 0 | 0 | 112.1 | L111 I114 C117 P118 L123 F124 | L111-V120 HydrophobicContact CD2-CG2 4.22Å; I114-V120 HydrophobicContact CD1-CB 4.01Å; I114-V120 HydrophobicContact CD1-CG2 3.88Å; I114-V120 HydrophobicContact CG1-CG2 4.21Å; C117-V120 VanDerWaalsContact O-CG1 3.29Å; C117-V120 WeakPolarHBondContact O-CG1 3.32Å; C117-V120 PolarHBondContact O-N 3.13Å; P118-V120 PolarHBondContact O-N 3.17Å; P118-V120 VanDerWaalsContact O-N 3.09Å; V120-L123 PolarHBondContact O-N 3.48Å; V120-F124 HydrophobicContact CB-CE2 4.49Å; V120-F124 HydrophobicContact CB-CZ 4.49Å; V120-F124 HydrophobicContact CG1-CD2 4.46Å; V120-F124 HydrophobicContact CG1-CE2 3.9Å; V120-F124 HydrophobicContact CG1-CZ 4.23Å; V120-F124 HydrophobicContact CG2-CD1 4.23Å; V120-F124 HydrophobicContact CG2-CE1 3.67Å; V120-F124 HydrophobicContact CG2-CE2 3.97Å; V120-F124 HydrophobicContact CG2-CZ 3.53Å; V120-F124 WeakPolarHBondContact O-CB 3.4Å; V120-F124 VanDerWaalsContact O-CD2 3.29Å; V120-F124 WeakPolarHBondContact O-CD2 3.44Å; V120-F124 WeakPolarHBondContact O-CG 3.14Å; V120-F124 PolarHBondContact O-N 3.06Å |
| 121 | L | 92.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 43.9 Ų | 43.9 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -69.3 | -39 | 177.1 | -58.4 | 179.9 | 0 | 0 | 0 | 112.4 | P118 S119 F124 S125 | P118-L121 PolarHBondContact O-N 3.23Å; S119-L121 PolarHBondContact O-N 2.99Å; S119-L121 VanDerWaalsContact O-N 3.14Å; L121-F124 HydrophobicContact CD2-CD2 4.35Å; L121-S125 WeakPolarHBondContact O-CB 3.45Å; L121-S125 PolarHBondContact O-N 3.25Å; L121-S125 VanDerWaalsContact O-N 3.1Å; L121-S125 PolarHBondContact O-OG 2.8Å |
| 122 | D | 92.8 | Very high | 93.7 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.2 | -33.4 | 174 | -92.6 | -49.8 | 0 | 0 | 0 | 112 | K82 S119 S125 L126 | K82-D122 IonicContact NZ-OD1 3.5Å; S119-D122 PolarHBondContact O-N 2.6Å; S119-D122 VanDerWaalsContact O-N 3.09Å; D122-S125 PolarHBondContact O-N 3.08Å; D122-L126 WeakPolarHBondContact O-CB 3.44Å; D122-L126 PolarHBondContact O-N 3.28Å |
| 123 | L | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.9 | -40.8 | 175.3 | -75.9 | 166.1 | 0 | 0 | 0 | 112.3 | F80 K82 V85 I114 S119 V120 S125 L126 L127 | F80-L123 HydrophobicContact CD1-CD1 4.29Å; F80-L123 HydrophobicContact CE1-CD1 4.34Å; K82-L123 HydrophobicContact CB-CD2 4.37Å; V85-L123 HydrophobicContact CB-CD2 3.88Å; V85-L123 HydrophobicContact CG1-CD2 4.19Å; V85-L123 HydrophobicContact CG2-CD2 3.83Å; I114-L123 HydrophobicContact CD1-CD1 3.32Å; S119-L123 PolarHBondContact O-N 3.14Å; S119-L123 VanDerWaalsContact O-N 3.07Å; V120-L123 PolarHBondContact O-N 3.48Å; L123-S125 VanDerWaalsContact C-N 3.27Å; L123-S125 PolarHBondContact O-N 3.18Å; L123-L126 HydrophobicContact CD2-CD2 4.46Å; L123-L126 PolarHBondContact O-N 2.87Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 VanDerWaalsContact O-CG 3.22Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 3.13Å |
| 124 | F | 95.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 169.2 | -65.8 | -27.5 | 0 | 0 | 0 | 111.2 | L111 V120 L121 L127 Q128 F154 Q156 C157 | L111-F124 HydrophobicContact CD2-CD1 4.47Å; L111-F124 HydrophobicContact CD2-CE1 4.26Å; V120-F124 HydrophobicContact CB-CE2 4.49Å; V120-F124 HydrophobicContact CB-CZ 4.49Å; V120-F124 HydrophobicContact CG1-CD2 4.46Å; V120-F124 HydrophobicContact CG1-CE2 3.9Å; V120-F124 HydrophobicContact CG1-CZ 4.23Å; V120-F124 HydrophobicContact CG2-CD1 4.23Å; V120-F124 HydrophobicContact CG2-CE1 3.67Å; V120-F124 HydrophobicContact CG2-CE2 3.97Å; V120-F124 HydrophobicContact CG2-CZ 3.53Å; V120-F124 WeakPolarHBondContact O-CB 3.4Å; V120-F124 VanDerWaalsContact O-CD2 3.29Å; V120-F124 WeakPolarHBondContact O-CD2 3.44Å; V120-F124 WeakPolarHBondContact O-CG 3.14Å; V120-F124 PolarHBondContact O-N 3.06Å; L121-F124 HydrophobicContact CD2-CD2 4.35Å; F124-L127 PolarHBondContact O-N 2.82Å; F124-Q128 WeakPolarHBondContact O-CG 3.31Å; F124-Q128 PolarHBondContact O-N 2.89Å; F124-F154 HydrophobicContact CE1-CB 4.3Å; F124-F154 AromaticContact CE1-CD1 3.66Å; F124-F154 HydrophobicContact CE1-CD1 3.66Å; F124-F154 HydrophobicContact CE1-CE1 4.35Å; F124-F154 HydrophobicContact CE1-CG 4.24Å; F124-F154 AromaticContact CZ-CD1 3.86Å; F124-F154 HydrophobicContact CZ-CD1 3.86Å; F124-F154 HydrophobicContact CZ-CE1 4.38Å; F124-Q156 HydrophobicContact CB-CB 4.12Å; F124-Q156 HydrophobicContact CD1-CB 4.04Å; F124-Q156 HydrophobicContact CD2-CB 3.52Å; F124-Q156 HydrophobicContact CD2-CG 3.87Å; F124-Q156 HydrophobicContact CE1-CB 4.27Å; F124-Q156 HydrophobicContact CE2-CB 3.8Å; F124-Q156 HydrophobicContact CE2-CG 3.74Å; F124-Q156 HydrophobicContact CG-CB 3.64Å; F124-Q156 HydrophobicContact CG-CG 4.47Å; F124-Q156 HydrophobicContact CZ-CB 4.16Å; F124-Q156 HydrophobicContact CZ-CG 4.22Å; F124-C157 WeakPolarHBondContact CD1-SG 3.45Å |
| 125 | S | 94.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.5 | -34.6 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | L121 D122 L123 | L121-S125 WeakPolarHBondContact O-CB 3.45Å; L121-S125 PolarHBondContact O-N 3.25Å; L121-S125 VanDerWaalsContact O-N 3.1Å; L121-S125 PolarHBondContact O-OG 2.8Å; D122-S125 PolarHBondContact O-N 3.08Å; L123-S125 VanDerWaalsContact C-N 3.27Å; L123-S125 PolarHBondContact O-N 3.18Å |
| 126 | L | 95.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -51.5 | 169.5 | -177.7 | 71.5 | 0 | 0 | 0 | 110.9 | K82 V85 L86 D122 L123 Q128 V129 E130 | K82-L126 HydrophobicContact CG-CD2 3.96Å; V85-L126 HydrophobicContact CG1-CD2 4.46Å; L86-L126 HydrophobicContact CB-CD2 4.05Å; L86-L126 HydrophobicContact CD1-CD1 4.07Å; L86-L126 HydrophobicContact CD1-CD2 4.33Å; L86-L126 HydrophobicContact CD2-CD1 4.39Å; D122-L126 WeakPolarHBondContact O-CB 3.44Å; D122-L126 PolarHBondContact O-N 3.28Å; L123-L126 HydrophobicContact CD2-CD2 4.46Å; L123-L126 PolarHBondContact O-N 2.87Å; L126-Q128 VanDerWaalsContact C-N 3.28Å; L126-Q128 PolarHBondContact O-N 3.02Å; L126-V129 WeakPolarHBondContact O-CB 3.41Å; L126-V129 PolarHBondContact O-N 3.13Å; L126-E130 HydrophobicContact CD1-CG 4.39Å; L126-E130 HydrophobicContact CG-CG 4.14Å; L126-E130 PolarHBondContact O-N 3.38Å; L126-E130 VanDerWaalsContact O-N 3.08Å |
| 127 | L | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -33.3 | -174.1 | -72.3 | 167.4 | 0 | 0 | 0 | 111.9 | L89 I107 L111 L123 F124 V129 E130 V131 C157 | L89-L127 HydrophobicContact CD1-CD2 3.85Å; I107-L127 HydrophobicContact CG2-CD2 4.47Å; L111-L127 HydrophobicContact CD1-CD1 3.73Å; L111-L127 HydrophobicContact CD2-CD1 4.02Å; L111-L127 HydrophobicContact CG-CD1 4.39Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 VanDerWaalsContact O-CG 3.22Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 3.13Å; F124-L127 PolarHBondContact O-N 2.82Å; L127-V129 PolarHBondContact O-N 3.42Å; L127-E130 PolarHBondContact O-N 2.73Å; L127-V131 VanDerWaalsContact O-CG1 3.32Å; L127-V131 WeakPolarHBondContact O-CG1 3.34Å; L127-V131 VanDerWaalsContact O-CG2 3.28Å; L127-V131 WeakPolarHBondContact O-CG2 3.38Å; L127-V131 PolarHBondContact O-N 3.12Å; L127-C157 HydrophobicContact CB-CB 4.12Å |
| 128 | Q | 95.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 43 Ų | 43 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55 | -33.7 | 170.5 | -76.2 | 176.8 | 33.5 | 0 | 0 | 113.6 | F124 L126 Q156 C157 P159 | F124-Q128 WeakPolarHBondContact O-CG 3.31Å; F124-Q128 PolarHBondContact O-N 2.89Å; L126-Q128 VanDerWaalsContact C-N 3.28Å; L126-Q128 PolarHBondContact O-N 3.02Å; Q128-Q156 PolarHBondContact NE2-O 3.3Å; Q128-C157 WeakPolarHBondContact CA-O 3.27Å; Q128-C157 WeakPolarHBondContact CG-O 3.43Å; Q128-P159 WeakPolarHBondContact O-CG 3.34Å |
| 129 | V | 95.8 | Very high | 94.9 | Very high | 94 Ų | 94 | 38.4 Ų | 38.4 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -79.3 | -48.2 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | L126 L127 V131 L132 R133 | L126-V129 WeakPolarHBondContact O-CB 3.41Å; L126-V129 PolarHBondContact O-N 3.13Å; L127-V129 PolarHBondContact O-N 3.42Å; V129-V131 PolarHBondContact O-N 2.7Å; V129-L132 PolarHBondContact O-N 2.78Å; V129-R133 PolarHBondContact O-N 3.44Å |
| 130 | E | 95.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | -174.4 | -64.2 | -54.8 | 135.3 | 0 | 0 | 113.3 | L86 L89 H90 L126 L127 L132 R133 M134 | L86-E130 HydrophobicContact CD1-CG 4.05Å; L86-E130 WeakPolarHBondContact CD1-OE1 3.38Å; L89-E130 HydrophobicContact CD1-CB 3.97Å; L89-E130 HydrophobicContact CD1-CG 4.12Å; H90-E130 IonicContact CE1-OE1 3.53Å; H90-E130 PolarHBondContact CE1-OE1 3.18Å; H90-E130 IonicContact CE1-OE2 3.28Å; H90-E130 PolarHBondContact CE1-OE2 3.3Å; H90-E130 IonicContact ND1-OE2 3.3Å; H90-E130 IonicContact NE2-OE2 3Å; L126-E130 HydrophobicContact CD1-CG 4.39Å; L126-E130 HydrophobicContact CG-CG 4.14Å; L126-E130 PolarHBondContact O-N 3.38Å; L126-E130 VanDerWaalsContact O-N 3.08Å; L127-E130 PolarHBondContact O-N 2.73Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 2.86Å; E130-R133 WeakPolarHBondContact O-CB 3.43Å; E130-R133 PolarHBondContact O-N 2.9Å; E130-R133 IonicContact OE2-CZ 3.79Å; E130-R133 IonicContact OE2-NE 3.44Å; E130-R133 PolarHBondContact OE2-NE 2.98Å; E130-R133 IonicContact OE2-NH2 2.93Å; E130-R133 PolarHBondContact OE2-NH2 3.31Å; E130-M134 VanDerWaalsContact O-CB 3.29Å; E130-M134 WeakPolarHBondContact O-CB 3.43Å; E130-M134 PolarHBondContact O-N 3.06Å |
| 131 | V | 95.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.9 | -28.3 | 176.7 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | L127 V129 M134 V135 L147 L151 P159 F167 | L127-V131 VanDerWaalsContact O-CG1 3.32Å; L127-V131 WeakPolarHBondContact O-CG1 3.34Å; L127-V131 VanDerWaalsContact O-CG2 3.28Å; L127-V131 WeakPolarHBondContact O-CG2 3.38Å; L127-V131 PolarHBondContact O-N 3.12Å; V129-V131 PolarHBondContact O-N 2.7Å; V131-M134 PolarHBondContact O-N 3.11Å; V131-V135 PolarHBondContact O-N 2.87Å; V131-L147 HydrophobicContact CB-CD1 3.98Å; V131-L147 HydrophobicContact CG1-CD1 3.55Å; V131-L151 HydrophobicContact CG1-CD2 4.27Å; V131-L151 HydrophobicContact CG2-CD2 4.37Å; V131-P159 HydrophobicContact CG2-CG 4.17Å; V131-F167 HydrophobicContact CB-CE2 4.46Å; V131-F167 HydrophobicContact CG2-CD2 4.5Å; V131-F167 HydrophobicContact CG2-CE2 4.04Å |
| 132 | L | 96.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.3 | -40 | 173.1 | -178.4 | 59.3 | 0 | 0 | 0 | 111.5 | V129 E130 M134 V135 C136 P159 L163 T166 F167 | V129-L132 PolarHBondContact O-N 2.78Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 2.86Å; L132-M134 VanDerWaalsContact C-N 3.34Å; L132-V135 HydrophobicContact CD1-CG2 4.33Å; L132-C136 PolarHBondContact O-N 3.3Å; L132-C136 PolarHBondContact O-SG 3.09Å; L132-P159 HydrophobicContact CB-CG 4.1Å; L132-L163 HydrophobicContact CD2-CB 4.45Å; L132-L163 HydrophobicContact CD2-CD2 4.13Å; L132-T166 HydrophobicContact CD1-CG2 4.44Å; L132-F167 HydrophobicContact CD1-CB 4.03Å; L132-F167 HydrophobicContact CD1-CD2 4.27Å |
| 133 | R | 95.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 37.3 Ų | 37.3 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 167.5 | 177.4 | -178.1 | 64.3 | 86.8 | -7.8 | 110.2 | L89 H90 V129 E130 V135 C136 E137 | L89-R133 PolarHBondContact O-NH2 3.43Å; H90-R133 PolarHBondContact NE2-NE 3.06Å; H90-R133 PolarHBondContact NE2-NH2 2.86Å; V129-R133 PolarHBondContact O-N 3.44Å; E130-R133 WeakPolarHBondContact O-CB 3.43Å; E130-R133 PolarHBondContact O-N 2.9Å; E130-R133 IonicContact OE2-CZ 3.79Å; E130-R133 IonicContact OE2-NE 3.44Å; E130-R133 PolarHBondContact OE2-NE 2.98Å; E130-R133 IonicContact OE2-NH2 2.93Å; E130-R133 PolarHBondContact OE2-NH2 3.31Å; R133-V135 PolarHBondContact O-N 2.93Å; R133-C136 WeakPolarHBondContact O-CA 3.49Å; R133-C136 WeakPolarHBondContact O-CB 3.01Å; R133-C136 PolarHBondContact O-N 2.85Å; R133-E137 HydrophobicContact CG-CG 4.47Å; R133-E137 WeakPolarHBondContact CG-OE1 3.3Å; R133-E137 IonicContact CZ-OE1 3.15Å; R133-E137 IonicContact NH1-OE1 2.86Å; R133-E137 PolarHBondContact NH1-OE1 3.32Å; R133-E137 IonicContact NH1-OE2 3.81Å; R133-E137 PolarHBondContact O-N 2.75Å |
| 134 | M | 95.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | -176.2 | -162.2 | 174.8 | -147.9 | 0 | 0 | 112 | L104 E130 V131 L132 C136 E137 P139 L143 L147 | L104-M134 HydrophobicContact CD2-CE 4.04Å; L104-M134 HydrophobicContact CD2-SD 4.25Å; E130-M134 VanDerWaalsContact O-CB 3.29Å; E130-M134 WeakPolarHBondContact O-CB 3.43Å; E130-M134 PolarHBondContact O-N 3.06Å; V131-M134 PolarHBondContact O-N 3.11Å; L132-M134 VanDerWaalsContact C-N 3.34Å; M134-C136 VanDerWaalsContact C-N 3.31Å; M134-C136 PolarHBondContact O-N 3.22Å; M134-E137 PolarHBondContact O-N 2.92Å; M134-P139 VanDerWaalsContact O-CD 3.27Å; M134-P139 WeakPolarHBondContact O-CD 3.49Å; M134-L143 HydrophobicContact CE-CD1 3.81Å; M134-L143 HydrophobicContact CE-CD2 3.82Å; M134-L143 HydrophobicContact CE-CG 3.85Å; M134-L147 HydrophobicContact CG-CD2 4.49Å; M134-L147 HydrophobicContact SD-CD1 4.3Å; M134-L147 HydrophobicContact SD-CD2 4.1Å |
| 135 | V | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.6 | -21.4 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | V131 L132 R133 R138 L147 F167 Q170 L171 T174 | V131-V135 PolarHBondContact O-N 2.87Å; L132-V135 HydrophobicContact CD1-CG2 4.33Å; R133-V135 PolarHBondContact O-N 2.93Å; V135-R138 PolarHBondContact O-NH1 2.84Å; V135-L147 HydrophobicContact CG1-CD2 3.81Å; V135-F167 HydrophobicContact CB-CE2 4.37Å; V135-F167 HydrophobicContact CG1-CD2 4.36Å; V135-F167 HydrophobicContact CG1-CE2 3.62Å; V135-F167 HydrophobicContact CG1-CZ 4.08Å; V135-F167 HydrophobicContact CG2-CD2 3.67Å; V135-F167 HydrophobicContact CG2-CE2 3.81Å; V135-Q170 HydrophobicContact CG2-CB 3.89Å; V135-L171 HydrophobicContact CG1-CD1 4.01Å; V135-T174 PolarHBondContact O-OG1 2.72Å |
| 136 | C | 95.5 | Very high | 95.7 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71.9 | -31.8 | 169.9 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | L132 R133 M134 R138 | L132-C136 PolarHBondContact O-N 3.3Å; L132-C136 PolarHBondContact O-SG 3.09Å; R133-C136 WeakPolarHBondContact O-CA 3.49Å; R133-C136 WeakPolarHBondContact O-CB 3.01Å; R133-C136 PolarHBondContact O-N 2.85Å; M134-C136 VanDerWaalsContact C-N 3.31Å; M134-C136 PolarHBondContact O-N 3.22Å; C136-R138 PolarHBondContact O-N 2.95Å |
| 137 | E | 95.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.29 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 8 | -178.6 | -75.7 | -173.1 | -152 | 0 | 0 | 115.2 | R98 R133 M134 | R98-E137 IonicContact CZ-OE2 2.84Å; R98-E137 IonicContact NE-OE2 3.46Å; R98-E137 IonicContact NH2-OE1 2.65Å; R98-E137 PolarHBondContact NH2-OE1 2.96Å; R98-E137 IonicContact NH2-OE2 2.89Å; R98-E137 PolarHBondContact NH2-OE2 3.03Å; R133-E137 HydrophobicContact CG-CG 4.47Å; R133-E137 WeakPolarHBondContact CG-OE1 3.3Å; R133-E137 IonicContact CZ-OE1 3.15Å; R133-E137 IonicContact NH1-OE1 2.86Å; R133-E137 PolarHBondContact NH1-OE1 3.32Å; R133-E137 IonicContact NH1-OE2 3.81Å; R133-E137 PolarHBondContact O-N 2.75Å; M134-E137 PolarHBondContact O-N 2.92Å |
| 138 | R | 94.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 37 Ų | 37 | 25% | 0.249 | 18% | 0.179 | C | C | . | . | trans | 50.2 | 69.6 | -177.5 | -53.6 | -61.3 | 169 | -121.4 | -11.5 | 112.2 | V135 C136 Q170 T174 | V135-R138 PolarHBondContact O-NH1 2.84Å; C136-R138 PolarHBondContact O-N 2.95Å; R138-Q170 PolarHBondContact NH1-O 2.73Å; R138-Q170 VanDerWaalsContact NH1-OE1 3.16Å; R138-T174 WeakPolarHBondContact CD-OG1 3.4Å; R138-T174 PolarHBondContact NH1-OG1 3.37Å | ||
| 139 | P | 95.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | trans | -71.3 | 149.8 | -179.8 | 30.3 | -34.3 | 0 | 0 | 0 | 111.3 | M134 L143 C144 T174 | M134-P139 VanDerWaalsContact O-CD 3.27Å; M134-P139 WeakPolarHBondContact O-CD 3.49Å; P139-L143 HydrophobicContact CB-CB 4.47Å; P139-L143 HydrophobicContact CB-CD2 3.93Å; P139-L143 HydrophobicContact CB-CG 4.32Å; P139-C144 HydrophobicContact CG-CB 4.18Å; P139-T174 HydrophobicContact CG-CG2 3.95Å | ||
| 140 | E | 94.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 31.8 Ų | 31.8 | 53% | 0.533 | 15% | 0.149 | S | C | . | . | trans | -61.6 | 154.2 | 176.2 | -67.4 | -58.6 | 154.1 | 0 | 0 | 112.4 | Q142 L143 C144 | E140-Q142 VanDerWaalsContact C-N 3.26Å; E140-Q142 PolarHBondContact O-N 2.78Å; E140-Q142 VanDerWaalsContact O-N 3.15Å; E140-L143 PolarHBondContact O-N 2.96Å; E140-L143 VanDerWaalsContact O-N 3.08Å; E140-C144 PolarHBondContact O-N 3.42Å | ||
| 141 | P | 95.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 5% | 0.045 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.8 | -40.6 | -176.4 | -25.3 | 31.6 | 0 | 0 | 0 | 113.6 | C144 A145 F178 Y191 Q194 | P141-C144 PolarHBondContact O-N 3.34Å; P141-A145 VanDerWaalsContact O-CB 3.27Å; P141-A145 WeakPolarHBondContact O-CB 3.48Å; P141-A145 PolarHBondContact O-N 2.8Å; P141-F178 HydrophobicContact CB-CD1 4.3Å; P141-F178 HydrophobicContact CB-CE1 4.45Å; P141-F178 HydrophobicContact CB-CG 4.33Å; P141-F178 HydrophobicContact CG-CB 4.01Å; P141-F178 HydrophobicContact CG-CD1 3.76Å; P141-F178 HydrophobicContact CG-CD2 4.49Å; P141-F178 HydrophobicContact CG-CE1 4.32Å; P141-F178 HydrophobicContact CG-CG 3.86Å; P141-Y191 HydrophobicContact CB-CD2 3.96Å; P141-Y191 HydrophobicContact CB-CE2 4.12Å; P141-Y191 HydrophobicContact CG-CD2 3.86Å; P141-Y191 HydrophobicContact CG-CE2 3.68Å; P141-Q194 HydrophobicContact CB-CB 4.35Å |
| 142 | Q | 95.1 | Very high | 95.9 | Very high | 93 Ų | 93 | 34 Ų | 34 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.6 | -41 | -179.3 | -165.4 | -173.5 | -6.7 | 0 | 0 | 112.6 | V101 E140 A145 R146 Q194 | V101-Q142 HydrophobicContact CG1-CB 4.36Å; V101-Q142 HydrophobicContact CG1-CG 4Å; E140-Q142 VanDerWaalsContact C-N 3.26Å; E140-Q142 PolarHBondContact O-N 2.78Å; E140-Q142 VanDerWaalsContact O-N 3.15Å; Q142-A145 PolarHBondContact O-N 3.06Å; Q142-R146 PolarHBondContact O-N 3.01Å; Q142-R146 VanDerWaalsContact O-N 3.15Å; Q142-Q194 VanDerWaalsContact CA-OE1 3.32Å; Q142-Q194 VanDerWaalsContact N-OE1 3.11Å |
| 143 | L | 95.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71 | -42.4 | 177.2 | -176.7 | 62.2 | 0 | 0 | 0 | 110.9 | K99 V101 L104 M134 P139 E140 A145 R146 L147 | K99-L143 HydrophobicContact CB-CD2 3.9Å; K99-L143 HydrophobicContact CG-CD2 4.33Å; K99-L143 WeakPolarHBondContact O-CD1 3.45Å; K99-L143 WeakPolarHBondContact O-CD2 3.36Å; V101-L143 HydrophobicContact CG1-CB 4.17Å; V101-L143 HydrophobicContact CG1-CD1 4.19Å; L104-L143 HydrophobicContact CB-CD1 4.28Å; L104-L143 HydrophobicContact CD2-CD1 3.92Å; M134-L143 HydrophobicContact CE-CD1 3.81Å; M134-L143 HydrophobicContact CE-CD2 3.82Å; M134-L143 HydrophobicContact CE-CG 3.85Å; P139-L143 HydrophobicContact CB-CB 4.47Å; P139-L143 HydrophobicContact CB-CD2 3.93Å; P139-L143 HydrophobicContact CB-CG 4.32Å; E140-L143 PolarHBondContact O-N 2.96Å; E140-L143 VanDerWaalsContact O-N 3.08Å; L143-A145 VanDerWaalsContact C-N 3.27Å; L143-A145 PolarHBondContact O-N 3.46Å; L143-R146 PolarHBondContact O-N 2.96Å; L143-L147 PolarHBondContact O-N 3.32Å |
| 144 | C | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -30.5 | 175.3 | -160.3 | 0 | 0 | 0 | 0 | 112.4 | P139 E140 P141 S148 L171 F178 V198 | P139-C144 HydrophobicContact CG-CB 4.18Å; E140-C144 PolarHBondContact O-N 3.42Å; P141-C144 PolarHBondContact O-N 3.34Å; C144-S148 WeakPolarHBondContact O-CB 3.44Å; C144-S148 PolarHBondContact O-N 3.49Å; C144-S148 PolarHBondContact O-OG 3.27Å; C144-L171 VanDerWaalsContact SG-CD1 3.59Å; C144-F178 HydrophobicContact CB-CE1 4.09Å; C144-F178 HydrophobicContact CB-CZ 3.71Å; C144-V198 HydrophobicContact CB-CG2 3.97Å |
| 145 | A | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.4 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P141 Q142 L143 S148 D149 Q194 K197 | P141-A145 VanDerWaalsContact O-CB 3.27Å; P141-A145 WeakPolarHBondContact O-CB 3.48Å; P141-A145 PolarHBondContact O-N 2.8Å; Q142-A145 PolarHBondContact O-N 3.06Å; L143-A145 VanDerWaalsContact C-N 3.27Å; L143-A145 PolarHBondContact O-N 3.46Å; A145-S148 WeakPolarHBondContact O-CA 3.34Å; A145-S148 WeakPolarHBondContact O-CB 3.4Å; A145-S148 PolarHBondContact O-N 3.16Å; A145-S148 VanDerWaalsContact O-N 3.1Å; A145-D149 PolarHBondContact O-N 3.34Å; A145-Q194 HydrophobicContact CB-CB 3.76Å; A145-Q194 HydrophobicContact CB-CG 3.98Å; A145-K197 HydrophobicContact CB-CB 4.33Å; A145-K197 HydrophobicContact CB-CD 4.22Å |
| 146 | R | 95.9 | Very high | 95.8 | Very high | 90 Ų | 90 | 41.7 Ų | 41.7 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.1 | -37 | 172.6 | -67.3 | -66.2 | 176.1 | 145.5 | 0.9 | 112.3 | V101 L104 D105 Q142 L143 S148 D149 L150 | V101-R146 HydrophobicContact CB-CG 4.31Å; L104-R146 HydrophobicContact CD2-CB 4.16Å; D105-R146 IonicContact OD1-CZ 2.66Å; D105-R146 IonicContact OD1-NH1 2.74Å; D105-R146 PolarHBondContact OD1-NH1 2.94Å; D105-R146 IonicContact OD2-NH1 2.69Å; D105-R146 PolarHBondContact OD2-NH1 3.43Å; D105-R146 VanDerWaalsContact OD2-NH1 3.17Å; Q142-R146 PolarHBondContact O-N 3.01Å; Q142-R146 VanDerWaalsContact O-N 3.15Å; L143-R146 PolarHBondContact O-N 2.96Å; R146-S148 PolarHBondContact O-N 3.4Å; R146-D149 PolarHBondContact O-N 2.92Å; R146-L150 PolarHBondContact O-N 3.28Å |
| 147 | L | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -38.3 | 169.4 | -178.5 | 59.3 | 0 | 0 | 0 | 111.3 | L104 V131 M134 V135 L143 L150 L151 | L104-L147 HydrophobicContact CD2-CB 3.79Å; L104-L147 HydrophobicContact CD2-CD1 4.4Å; V131-L147 HydrophobicContact CB-CD1 3.98Å; V131-L147 HydrophobicContact CG1-CD1 3.55Å; M134-L147 HydrophobicContact CG-CD2 4.49Å; M134-L147 HydrophobicContact SD-CD1 4.3Å; M134-L147 HydrophobicContact SD-CD2 4.1Å; V135-L147 HydrophobicContact CG1-CD2 3.81Å; L143-L147 PolarHBondContact O-N 3.32Å; L147-L150 PolarHBondContact O-N 3.32Å; L147-L151 HydrophobicContact CD1-CD1 3.94Å; L147-L151 HydrophobicContact CD1-CG 3.99Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.33Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 VanDerWaalsContact O-CG 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.16Å; L147-L151 PolarHBondContact O-N 2.85Å |
| 148 | S | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.3 | -35.6 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 113 | C144 A145 R146 T152 V198 | C144-S148 WeakPolarHBondContact O-CB 3.44Å; C144-S148 PolarHBondContact O-N 3.49Å; C144-S148 PolarHBondContact O-OG 3.27Å; A145-S148 WeakPolarHBondContact O-CA 3.34Å; A145-S148 WeakPolarHBondContact O-CB 3.4Å; A145-S148 PolarHBondContact O-N 3.16Å; A145-S148 VanDerWaalsContact O-N 3.1Å; R146-S148 PolarHBondContact O-N 3.4Å; S148-T152 VanDerWaalsContact O-CB 3.3Å; S148-T152 WeakPolarHBondContact O-CB 3.17Å; S148-T152 PolarHBondContact O-N 2.84Å; S148-T152 PolarHBondContact O-OG1 2.86Å; S148-V198 WeakPolarHBondContact OG-CA 3.37Å |
| 149 | D | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 170.6 | -67.2 | -43.5 | 0 | 0 | 0 | 110.8 | H108 A145 R146 L151 T152 D153 K197 | H108-D149 VanDerWaalsContact NE2-C 3.31Å; H108-D149 WeakPolarHBondContact NE2-CB 3.24Å; H108-D149 PolarHBondContact NE2-O 3.03Å; A145-D149 PolarHBondContact O-N 3.34Å; R146-D149 PolarHBondContact O-N 2.92Å; D149-L151 PolarHBondContact O-N 3.08Å; D149-T152 PolarHBondContact O-N 3.37Å; D149-D153 PolarHBondContact O-N 3.2Å; D149-K197 IonicContact OD1-NZ 2.77Å; D149-K197 PolarHBondContact OD1-NZ 2.74Å; D149-K197 IonicContact OD2-NZ 2.64Å; D149-K197 PolarHBondContact OD2-NZ 3Å |
| 150 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 177.9 | -172.1 | 165 | 0 | 0 | 0 | 112 | L104 I107 H108 L111 R146 L147 T152 D153 F154 C157 | L104-L150 HydrophobicContact CD1-CD1 3.78Å; L104-L150 HydrophobicContact CG-CD1 4.27Å; I107-L150 HydrophobicContact CG2-CD1 4.29Å; H108-L150 HydrophobicContact CB-CB 4.26Å; H108-L150 HydrophobicContact CB-CD1 4.04Å; H108-L150 HydrophobicContact CB-CG 4.14Å; L111-L150 HydrophobicContact CD1-CD1 4.32Å; L111-L150 HydrophobicContact CD1-CD2 4.13Å; L111-L150 HydrophobicContact CD1-CG 4.24Å; R146-L150 PolarHBondContact O-N 3.28Å; L147-L150 PolarHBondContact O-N 3.32Å; L150-T152 VanDerWaalsContact C-N 3.28Å; L150-T152 PolarHBondContact O-N 2.93Å; L150-D153 PolarHBondContact O-N 2.96Å; L150-F154 WeakPolarHBondContact O-CB 3.36Å; L150-F154 PolarHBondContact O-N 3.49Å; L150-C157 HydrophobicContact CD2-CB 4.31Å |
| 151 | L | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.2 | -18.9 | -178.7 | -68.1 | -179.1 | 0 | 0 | 0 | 113.7 | V131 L147 D149 F154 V155 C157 I158 F167 L201 | V131-L151 HydrophobicContact CG1-CD2 4.27Å; V131-L151 HydrophobicContact CG2-CD2 4.37Å; L147-L151 HydrophobicContact CD1-CD1 3.94Å; L147-L151 HydrophobicContact CD1-CG 3.99Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.33Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 VanDerWaalsContact O-CG 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.16Å; L147-L151 PolarHBondContact O-N 2.85Å; D149-L151 PolarHBondContact O-N 3.08Å; L151-F154 CarbonylContact O-C 3.59Å; L151-V155 PolarHBondContact O-N 3.42Å; L151-C157 HydrophobicContact CD2-CB 3.46Å; L151-C157 VanDerWaalsContact CD2-CB 3.46Å; L151-I158 HydrophobicContact CB-CD1 4.43Å; L151-I158 HydrophobicContact CB-CG1 4.01Å; L151-I158 HydrophobicContact CD1-CG1 4.41Å; L151-I158 HydrophobicContact CD2-CG1 3.92Å; L151-I158 HydrophobicContact CG-CG1 4.33Å; L151-F167 HydrophobicContact CD1-CE1 4.37Å; L151-F167 HydrophobicContact CD1-CE2 4.24Å; L151-F167 HydrophobicContact CD1-CZ 3.57Å; L151-L201 HydrophobicContact CB-CD1 3.69Å; L151-L201 HydrophobicContact CB-CD2 4.27Å; L151-L201 HydrophobicContact CD1-CD2 4Å |
| 152 | T | 96.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -77.4 | -43.8 | 173.2 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | S148 D149 L150 | S148-T152 VanDerWaalsContact O-CB 3.3Å; S148-T152 WeakPolarHBondContact O-CB 3.17Å; S148-T152 PolarHBondContact O-N 2.84Å; S148-T152 PolarHBondContact O-OG1 2.86Å; D149-T152 PolarHBondContact O-N 3.37Å; L150-T152 VanDerWaalsContact C-N 3.28Å; L150-T152 PolarHBondContact O-N 2.93Å |
| 153 | D | 95.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.9 | -36.6 | 175.4 | -75.5 | -4.6 | 0 | 0 | 0 | 111.8 | H108 K112 D149 L150 | H108-D153 IonicContact NE2-OD2 2.66Å; H108-D153 PolarHBondContact NE2-OD2 3.17Å; K112-D153 WeakPolarHBondContact CE-OD2 3.49Å; K112-D153 IonicContact NZ-OD2 2.67Å; K112-D153 PolarHBondContact NZ-OD2 2.91Å; D149-D153 PolarHBondContact O-N 3.2Å; L150-D153 PolarHBondContact O-N 2.96Å |
| 154 | F | 95.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | trans | -120.4 | 70.7 | -177.3 | -62.9 | -76.3 | 0 | 0 | 0 | 112.3 | H108 L111 K112 M115 F124 L150 L151 Q156 C157 | H108-F154 AromaticContact CD2-CD2 3.99Å; H108-F154 AromaticContact CD2-CE2 3.83Å; L111-F154 HydrophobicContact CB-CD2 4.13Å; L111-F154 HydrophobicContact CB-CE1 4.25Å; L111-F154 HydrophobicContact CB-CE2 3.62Å; L111-F154 HydrophobicContact CB-CZ 3.69Å; L111-F154 HydrophobicContact CD1-CD2 4.07Å; L111-F154 HydrophobicContact CD1-CE2 4.37Å; L111-F154 HydrophobicContact CD1-CG 4.42Å; K112-F154 HydrophobicContact CB-CZ 4.46Å; K112-F154 HydrophobicContact CG-CE2 3.75Å; K112-F154 HydrophobicContact CG-CZ 3.66Å; M115-F154 HydrophobicContact CB-CE1 4.43Å; M115-F154 HydrophobicContact CE-CE1 4.06Å; M115-F154 HydrophobicContact CE-CZ 4.03Å; F124-F154 HydrophobicContact CE1-CB 4.3Å; F124-F154 AromaticContact CE1-CD1 3.66Å; F124-F154 HydrophobicContact CE1-CD1 3.66Å; F124-F154 HydrophobicContact CE1-CE1 4.35Å; F124-F154 HydrophobicContact CE1-CG 4.24Å; F124-F154 AromaticContact CZ-CD1 3.86Å; F124-F154 HydrophobicContact CZ-CD1 3.86Å; F124-F154 HydrophobicContact CZ-CE1 4.38Å; L150-F154 WeakPolarHBondContact O-CB 3.36Å; L150-F154 PolarHBondContact O-N 3.49Å; L151-F154 CarbonylContact O-C 3.59Å; F154-Q156 PolarHBondContact O-N 3.3Å; F154-C157 WeakPolarHBondContact O-CB 3.44Å; F154-C157 PolarHBondContact O-N 3.12Å | ||
| 155 | V | 94.5 | Very high | 94.7 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.7 | -16.5 | 176 | -61 | 0 | 0 | 0 | 0 | 113.8 | L151 C157 I158 K160 | L151-V155 PolarHBondContact O-N 3.42Å; V155-C157 VanDerWaalsContact C-N 3.26Å; V155-C157 PolarHBondContact O-N 2.8Å; V155-I158 HydrophobicContact CB-CD1 4.21Å; V155-I158 HydrophobicContact CG1-CD1 4.28Å; V155-I158 PolarHBondContact O-N 3.2Å; V155-K160 PolarHBondContact O-NZ 2.91Å |
| 156 | Q | 94.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -62.6 | -30.4 | 171.6 | -60.6 | 84.3 | -15 | 0 | 0 | 112.4 | F124 Q128 F154 I158 | F124-Q156 HydrophobicContact CB-CB 4.12Å; F124-Q156 HydrophobicContact CD1-CB 4.04Å; F124-Q156 HydrophobicContact CD2-CB 3.52Å; F124-Q156 HydrophobicContact CD2-CG 3.87Å; F124-Q156 HydrophobicContact CE1-CB 4.27Å; F124-Q156 HydrophobicContact CE2-CB 3.8Å; F124-Q156 HydrophobicContact CE2-CG 3.74Å; F124-Q156 HydrophobicContact CG-CB 3.64Å; F124-Q156 HydrophobicContact CG-CG 4.47Å; F124-Q156 HydrophobicContact CZ-CB 4.16Å; F124-Q156 HydrophobicContact CZ-CG 4.22Å; Q128-Q156 PolarHBondContact NE2-O 3.3Å; F154-Q156 PolarHBondContact O-N 3.3Å; Q156-I158 VanDerWaalsContact C-N 3.33Å |
| 157 | C | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -76.4 | -15 | 178.1 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | F124 L127 Q128 L150 L151 F154 V155 | F124-C157 WeakPolarHBondContact CD1-SG 3.45Å; L127-C157 HydrophobicContact CB-CB 4.12Å; Q128-C157 WeakPolarHBondContact CA-O 3.27Å; Q128-C157 WeakPolarHBondContact CG-O 3.43Å; L150-C157 HydrophobicContact CD2-CB 4.31Å; L151-C157 HydrophobicContact CD2-CB 3.46Å; L151-C157 VanDerWaalsContact CD2-CB 3.46Å; F154-C157 WeakPolarHBondContact O-CB 3.44Å; F154-C157 PolarHBondContact O-N 3.12Å; V155-C157 VanDerWaalsContact C-N 3.26Å; V155-C157 PolarHBondContact O-N 2.8Å |
| 158 | I | 95.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -71.7 | 129.6 | 178.4 | -57.3 | 173 | 0 | 0 | 0 | 109.1 | L151 V155 Q156 K160 L201 I205 | L151-I158 HydrophobicContact CB-CD1 4.43Å; L151-I158 HydrophobicContact CB-CG1 4.01Å; L151-I158 HydrophobicContact CD1-CG1 4.41Å; L151-I158 HydrophobicContact CD2-CG1 3.92Å; L151-I158 HydrophobicContact CG-CG1 4.33Å; V155-I158 HydrophobicContact CB-CD1 4.21Å; V155-I158 HydrophobicContact CG1-CD1 4.28Å; V155-I158 PolarHBondContact O-N 3.2Å; Q156-I158 VanDerWaalsContact C-N 3.33Å; I158-K160 VanDerWaalsContact O-CD 3.3Å; I158-K160 WeakPolarHBondContact O-CD 3.41Å; I158-K160 WeakPolarHBondContact O-CE 3.35Å; I158-K160 PolarHBondContact O-NZ 2.83Å; I158-L201 HydrophobicContact CD1-CD1 4.49Å; I158-I205 HydrophobicContact CD1-CD1 4.23Å; I158-I205 HydrophobicContact CD1-CG1 4.07Å; I158-I205 HydrophobicContact CG2-CD1 4.1Å; I158-I205 HydrophobicContact CG2-CG1 4.49Å |
| 159 | P | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | trans | -53.7 | 144.4 | 178.9 | -25.8 | 34.3 | 0 | 0 | 0 | 113.1 | Q128 V131 L132 L163 S164 F167 | Q128-P159 WeakPolarHBondContact O-CG 3.34Å; V131-P159 HydrophobicContact CG2-CG 4.17Å; L132-P159 HydrophobicContact CB-CG 4.1Å; P159-L163 HydrophobicContact CB-CB 3.76Å; P159-S164 VanDerWaalsContact O-CB 3.29Å; P159-S164 WeakPolarHBondContact O-CB 3.17Å; P159-F167 HydrophobicContact CB-CB 4.37Å; P159-F167 HydrophobicContact CG-CB 4Å; P159-F167 HydrophobicContact CG-CD2 3.84Å; P159-F167 HydrophobicContact CG-CG 4.04Å | ||
| 160 | K | 89.4 | Confident | 94.7 | Very high | 101 Ų | 101 | 45.7 Ų | 45.7 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | trans | -108.6 | 154.1 | -171.2 | -55.5 | -55.6 | 177.8 | -147.1 | 0 | 114.1 | V155 I158 L163 | V155-K160 PolarHBondContact O-NZ 2.91Å; I158-K160 VanDerWaalsContact O-CD 3.3Å; I158-K160 WeakPolarHBondContact O-CD 3.41Å; I158-K160 WeakPolarHBondContact O-CE 3.35Å; I158-K160 PolarHBondContact O-NZ 2.83Å; K160-L163 PolarHBondContact O-N 3.42Å | ||
| 161 | G | 87.8 | Confident | 94.7 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -135.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L163 S164 | G161-L163 PolarHBondContact O-N 2.77Å; G161-S164 WeakPolarHBondContact O-CB 3.13Å; G161-S164 PolarHBondContact O-N 2.93Å; G161-S164 PolarHBondContact O-OG 3.44Å |
| 162 | K | 89.7 | Confident | 94.7 | Very high | 187 Ų | 187 | 45.7 Ų | 45.7 | 81% | 0.813 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -54.4 | -25.3 | -178.8 | -66.9 | -176.8 | 177.8 | -179 | 0 | 114.3 | T166 | K162-T166 PolarHBondContact O-N 2.88Å; K162-T166 PolarHBondContact O-OG1 2.74Å |
| 163 | L | 93.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 46.6 Ų | 46.6 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76 | -20.6 | 177.6 | -60.7 | 178.8 | 0 | 0 | 0 | 113.5 | L132 P159 K160 G161 T166 F167 | L132-L163 HydrophobicContact CD2-CB 4.45Å; L132-L163 HydrophobicContact CD2-CD2 4.13Å; P159-L163 HydrophobicContact CB-CB 3.76Å; K160-L163 PolarHBondContact O-N 3.42Å; G161-L163 PolarHBondContact O-N 2.77Å; L163-T166 PolarHBondContact O-N 3.09Å; L163-F167 VanDerWaalsContact O-CB 3.27Å; L163-F167 WeakPolarHBondContact O-CB 3.33Å; L163-F167 PolarHBondContact O-N 3.34Å |
| 164 | S | 94.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.3 | -40.8 | 174.2 | 72.3 | 0 | 0 | 0 | 0 | 111 | P159 G161 F167 C168 E209 T212 | P159-S164 VanDerWaalsContact O-CB 3.29Å; P159-S164 WeakPolarHBondContact O-CB 3.17Å; G161-S164 WeakPolarHBondContact O-CB 3.13Å; G161-S164 PolarHBondContact O-N 2.93Å; G161-S164 PolarHBondContact O-OG 3.44Å; S164-F167 WeakPolarHBondContact O-CB 3.47Å; S164-F167 PolarHBondContact O-N 3.04Å; S164-C168 WeakPolarHBondContact O-CB 3.29Å; S164-C168 PolarHBondContact O-N 3.45Å; S164-C168 PolarHBondContact O-SG 3.14Å; S164-E209 VanDerWaalsContact CB-OE2 3.22Å; S164-E209 WeakPolarHBondContact CB-OE2 3.49Å; S164-E209 VanDerWaalsContact OG-CD 3.3Å; S164-E209 PolarHBondContact OG-OE1 2.86Å; S164-E209 PolarHBondContact OG-OE2 3.07Å; S164-T212 WeakPolarHBondContact OG-CG2 3.39Å |
| 165 | I | 95.7 | Very high | 94.8 | Very high | 47 Ų | 47 | 42 Ų | 42 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 173.4 | -62.6 | 170.7 | 0 | 0 | 0 | 110 | F167 C168 Q169 T212 P215 | I165-F167 PolarHBondContact O-N 3.21Å; I165-C168 PolarHBondContact O-N 3.05Å; I165-Q169 WeakPolarHBondContact O-CG 3.5Å; I165-Q169 PolarHBondContact O-N 3.23Å; I165-T212 HydrophobicContact CG1-CG2 4.07Å; I165-P215 HydrophobicContact CG2-CB 3.69Å; I165-P215 HydrophobicContact CG2-CG 3.91Å |
| 166 | T | 95.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 38.2 Ų | 38.2 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.4 | -51.2 | 0 | 0 | 0 | 0 | 112 | L132 K162 L163 C168 Q169 Q170 | L132-T166 HydrophobicContact CD1-CG2 4.44Å; K162-T166 PolarHBondContact O-N 2.88Å; K162-T166 PolarHBondContact O-OG1 2.74Å; L163-T166 PolarHBondContact O-N 3.09Å; T166-C168 PolarHBondContact O-N 2.71Å; T166-Q169 PolarHBondContact O-N 3.21Å; T166-Q170 HydrophobicContact CG2-CG 4.38Å; T166-Q170 WeakPolarHBondContact O-CB 3.21Å; T166-Q170 VanDerWaalsContact O-CG 3.24Å; T166-Q170 WeakPolarHBondContact O-CG 3.41Å; T166-Q170 PolarHBondContact O-N 2.82Å |
| 167 | F | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 174.9 | 177.8 | -96 | 0 | 0 | 0 | 111.5 | V131 L132 V135 L151 P159 L163 S164 I165 Q170 L171 L201 I205 | V131-F167 HydrophobicContact CB-CE2 4.46Å; V131-F167 HydrophobicContact CG2-CD2 4.5Å; V131-F167 HydrophobicContact CG2-CE2 4.04Å; L132-F167 HydrophobicContact CD1-CB 4.03Å; L132-F167 HydrophobicContact CD1-CD2 4.27Å; V135-F167 HydrophobicContact CB-CE2 4.37Å; V135-F167 HydrophobicContact CG1-CD2 4.36Å; V135-F167 HydrophobicContact CG1-CE2 3.62Å; V135-F167 HydrophobicContact CG1-CZ 4.08Å; V135-F167 HydrophobicContact CG2-CD2 3.67Å; V135-F167 HydrophobicContact CG2-CE2 3.81Å; L151-F167 HydrophobicContact CD1-CE1 4.37Å; L151-F167 HydrophobicContact CD1-CE2 4.24Å; L151-F167 HydrophobicContact CD1-CZ 3.57Å; P159-F167 HydrophobicContact CB-CB 4.37Å; P159-F167 HydrophobicContact CG-CB 4Å; P159-F167 HydrophobicContact CG-CD2 3.84Å; P159-F167 HydrophobicContact CG-CG 4.04Å; L163-F167 VanDerWaalsContact O-CB 3.27Å; L163-F167 WeakPolarHBondContact O-CB 3.33Å; L163-F167 PolarHBondContact O-N 3.34Å; S164-F167 WeakPolarHBondContact O-CB 3.47Å; S164-F167 PolarHBondContact O-N 3.04Å; I165-F167 PolarHBondContact O-N 3.21Å; F167-Q170 PolarHBondContact O-N 2.82Å; F167-L171 HydrophobicContact CE1-CD2 4.07Å; F167-L171 HydrophobicContact CZ-CD2 4.44Å; F167-L171 VanDerWaalsContact O-CB 3.31Å; F167-L171 WeakPolarHBondContact O-CB 3.35Å; F167-L171 PolarHBondContact O-N 3.13Å; F167-L201 HydrophobicContact CE1-CD2 4.49Å; F167-I205 HydrophobicContact CD1-CD1 4.17Å; F167-I205 HydrophobicContact CE1-CD1 3.8Å |
| 168 | C | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 178.8 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | S164 I165 T166 Q170 L171 V172 L202 S216 | S164-C168 WeakPolarHBondContact O-CB 3.29Å; S164-C168 PolarHBondContact O-N 3.45Å; S164-C168 PolarHBondContact O-SG 3.14Å; I165-C168 PolarHBondContact O-N 3.05Å; T166-C168 PolarHBondContact O-N 2.71Å; C168-Q170 PolarHBondContact O-N 2.82Å; C168-L171 PolarHBondContact O-N 3.42Å; C168-V172 WeakPolarHBondContact O-CG2 3.32Å; C168-V172 PolarHBondContact O-N 3.33Å; C168-L202 HydrophobicContact CB-CD1 3.75Å; C168-L202 VanDerWaalsContact SG-CD1 3.58Å; C168-S216 VanDerWaalsContact CB-OG 3.31Å; C168-S216 WeakPolarHBondContact CB-OG 3.48Å |
| 169 | Q | 96.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 44 Ų | 44 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 176 | -70.4 | 175.1 | -52.1 | 0 | 0 | 111.9 | I165 T166 L171 V172 R173 P215 E219 | I165-Q169 WeakPolarHBondContact O-CG 3.5Å; I165-Q169 PolarHBondContact O-N 3.23Å; T166-Q169 PolarHBondContact O-N 3.21Å; Q169-L171 VanDerWaalsContact C-N 3.34Å; Q169-L171 PolarHBondContact O-N 2.97Å; Q169-V172 PolarHBondContact O-N 3.04Å; Q169-R173 WeakPolarHBondContact O-CG 3.45Å; Q169-R173 PolarHBondContact O-N 3.03Å; Q169-P215 HydrophobicContact CG-CB 4.41Å; Q169-E219 HydrophobicContact CB-CG 4.24Å; Q169-E219 HydrophobicContact CG-CB 4.34Å |
| 170 | Q | 96.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -33.8 | 177.2 | -65.4 | -70.3 | 3.6 | 0 | 0 | 112.1 | V135 R138 T166 F167 C168 R173 T174 | V135-Q170 HydrophobicContact CG2-CB 3.89Å; R138-Q170 PolarHBondContact NH1-O 2.73Å; R138-Q170 VanDerWaalsContact NH1-OE1 3.16Å; T166-Q170 HydrophobicContact CG2-CG 4.38Å; T166-Q170 WeakPolarHBondContact O-CB 3.21Å; T166-Q170 VanDerWaalsContact O-CG 3.24Å; T166-Q170 WeakPolarHBondContact O-CG 3.41Å; T166-Q170 PolarHBondContact O-N 2.82Å; F167-Q170 PolarHBondContact O-N 2.82Å; C168-Q170 PolarHBondContact O-N 2.82Å; Q170-R173 PolarHBondContact O-N 3.36Å; Q170-T174 WeakPolarHBondContact O-CB 3.25Å; Q170-T174 PolarHBondContact O-N 3.46Å; Q170-T174 PolarHBondContact O-OG1 2.82Å; Q170-T174 VanDerWaalsContact O-OG1 3.11Å |
| 171 | L | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 173.4 | -170.6 | 59.6 | 0 | 0 | 0 | 111.8 | V135 C144 F167 C168 Q169 T174 I175 V198 L201 L202 | V135-L171 HydrophobicContact CG1-CD1 4.01Å; C144-L171 VanDerWaalsContact SG-CD1 3.59Å; F167-L171 HydrophobicContact CE1-CD2 4.07Å; F167-L171 HydrophobicContact CZ-CD2 4.44Å; F167-L171 VanDerWaalsContact O-CB 3.31Å; F167-L171 WeakPolarHBondContact O-CB 3.35Å; F167-L171 PolarHBondContact O-N 3.13Å; C168-L171 PolarHBondContact O-N 3.42Å; Q169-L171 VanDerWaalsContact C-N 3.34Å; Q169-L171 PolarHBondContact O-N 2.97Å; L171-T174 WeakPolarHBondContact O-CB 3.38Å; L171-T174 PolarHBondContact O-N 2.88Å; L171-I175 HydrophobicContact CG-CD1 4.36Å; L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.34Å; L171-I175 PolarHBondContact O-N 3.25Å; L171-V198 HydrophobicContact CD1-CG1 3.69Å; L171-V198 HydrophobicContact CD2-CG1 4.2Å; L171-V198 HydrophobicContact CG-CG1 4.08Å; L171-L201 HydrophobicContact CD2-CD2 4.16Å; L171-L202 HydrophobicContact CD2-CB 4.2Å; L171-L202 HydrophobicContact CD2-CD1 4.36Å |
| 172 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -48.4 | 172 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | C168 Q169 T174 I175 G176 L202 E219 V220 L237 L240 | C168-V172 WeakPolarHBondContact O-CG2 3.32Å; C168-V172 PolarHBondContact O-N 3.33Å; Q169-V172 PolarHBondContact O-N 3.04Å; V172-T174 VanDerWaalsContact C-N 3.27Å; V172-T174 PolarHBondContact O-N 3.21Å; V172-I175 PolarHBondContact O-N 3.25Å; V172-G176 PolarHBondContact O-N 3.39Å; V172-L202 HydrophobicContact CG2-CD2 3.73Å; V172-E219 HydrophobicContact CB-CB 4.28Å; V172-E219 HydrophobicContact CB-CG 4.06Å; V172-E219 HydrophobicContact CG1-CB 3.96Å; V172-E219 HydrophobicContact CG1-CG 3.85Å; V172-V220 HydrophobicContact CG1-CB 4.41Å; V172-V220 HydrophobicContact CG1-CG2 3.58Å; V172-V220 HydrophobicContact CG2-CG2 4.32Å; V172-L237 HydrophobicContact CG1-CD2 4.09Å; V172-L240 HydrophobicContact CG2-CD1 4.08Å |
| 173 | R | 95.9 | Very high | 95 | Very high | 90 Ų | 90 | 44.4 Ų | 44.4 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.3 | -40.2 | 176 | -70.9 | 178.3 | -174.3 | 164.7 | 13.2 | 112 | Q169 Q170 G176 H177 E219 | Q169-R173 WeakPolarHBondContact O-CG 3.45Å; Q169-R173 PolarHBondContact O-N 3.03Å; Q170-R173 PolarHBondContact O-N 3.36Å; R173-G176 WeakPolarHBondContact O-CA 3.41Å; R173-G176 PolarHBondContact O-N 3.34Å; R173-H177 PolarHBondContact O-N 2.83Å; R173-H177 PolarHBondContact O-ND1 3.25Å; R173-E219 HydrophobicContact CG-CG 3.98Å; R173-E219 IonicContact CZ-OE1 3.53Å; R173-E219 IonicContact CZ-OE2 2.69Å; R173-E219 IonicContact NE-OE1 2.69Å; R173-E219 PolarHBondContact NE-OE1 2.82Å; R173-E219 IonicContact NE-OE2 2.9Å; R173-E219 PolarHBondContact NE-OE2 2.88Å; R173-E219 VanDerWaalsContact NH2-CD 3.27Å; R173-E219 IonicContact NH2-OE1 3.78Å; R173-E219 PolarHBondContact NH2-OE1 3.37Å; R173-E219 VanDerWaalsContact NH2-OE1 3.09Å; R173-E219 IonicContact NH2-OE2 3.93Å; R173-E219 PolarHBondContact NH2-OE2 3.27Å |
| 174 | T | 97 | Very high | 95 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.5 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | V135 R138 P139 Q170 L171 V172 G176 H177 F178 | V135-T174 PolarHBondContact O-OG1 2.72Å; R138-T174 WeakPolarHBondContact CD-OG1 3.4Å; R138-T174 PolarHBondContact NH1-OG1 3.37Å; P139-T174 HydrophobicContact CG-CG2 3.95Å; Q170-T174 WeakPolarHBondContact O-CB 3.25Å; Q170-T174 PolarHBondContact O-N 3.46Å; Q170-T174 PolarHBondContact O-OG1 2.82Å; Q170-T174 VanDerWaalsContact O-OG1 3.11Å; L171-T174 WeakPolarHBondContact O-CB 3.38Å; L171-T174 PolarHBondContact O-N 2.88Å; V172-T174 VanDerWaalsContact C-N 3.27Å; V172-T174 PolarHBondContact O-N 3.21Å; T174-G176 PolarHBondContact O-N 2.83Å; T174-H177 PolarHBondContact O-N 2.89Å; T174-F178 HydrophobicContact CG2-CD1 4.4Å; T174-F178 HydrophobicContact CG2-CE1 3.56Å; T174-F178 HydrophobicContact CG2-CZ 4Å; T174-F178 VanDerWaalsContact O-CD1 3.3Å; T174-F178 WeakPolarHBondContact O-CD1 3.22Å; T174-F178 PolarHBondContact O-N 3.04Å |
| 175 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 172.5 | -63.6 | 160.6 | 0 | 0 | 0 | 110.6 | L171 V172 H177 F178 V198 L202 A236 L237 L240 | L171-I175 HydrophobicContact CG-CD1 4.36Å; L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.34Å; L171-I175 PolarHBondContact O-N 3.25Å; V172-I175 PolarHBondContact O-N 3.25Å; I175-H177 PolarHBondContact O-N 3.29Å; I175-F178 HydrophobicContact CB-CD2 4.15Å; I175-F178 HydrophobicContact CB-CE2 4.15Å; I175-F178 HydrophobicContact CG1-CD2 4.16Å; I175-F178 HydrophobicContact CG1-CE2 3.65Å; I175-F178 HydrophobicContact CG1-CZ 4.16Å; I175-F178 HydrophobicContact CG2-CD2 4.09Å; I175-F178 HydrophobicContact CG2-CE2 4.39Å; I175-F178 WeakPolarHBondContact O-CB 3.4Å; I175-F178 PolarHBondContact O-N 2.93Å; I175-F178 VanDerWaalsContact O-N 3.15Å; I175-V198 HydrophobicContact CD1-CG1 3.93Å; I175-V198 HydrophobicContact CG1-CG1 3.96Å; I175-L202 HydrophobicContact CD1-CD2 4.38Å; I175-A236 HydrophobicContact CG2-CB 3.91Å; I175-L237 HydrophobicContact CB-CD2 4.2Å; I175-L237 HydrophobicContact CG2-CD2 3.96Å; I175-L237 HydrophobicContact CG2-CG 4.46Å; I175-L240 HydrophobicContact CD1-CD1 3.95Å; I175-L240 HydrophobicContact CD1-CD2 3.9Å; I175-L240 HydrophobicContact CD1-CG 4.23Å |
| 176 | G | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V172 R173 T174 P233 S234 | V172-G176 PolarHBondContact O-N 3.39Å; R173-G176 WeakPolarHBondContact O-CA 3.41Å; R173-G176 PolarHBondContact O-N 3.34Å; T174-G176 PolarHBondContact O-N 2.83Å; G176-P233 WeakPolarHBondContact O-CA 3.4Å; G176-S234 PolarHBondContact O-N 3.15Å |
| 177 | H | 95.5 | Very high | 94.5 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -3.5 | 174.8 | -69.9 | 60.7 | 0 | 0 | 0 | 113.2 | R173 T174 I175 Q179 F231 | R173-H177 PolarHBondContact O-N 2.83Å; R173-H177 PolarHBondContact O-ND1 3.25Å; T174-H177 PolarHBondContact O-N 2.89Å; I175-H177 PolarHBondContact O-N 3.29Å; H177-Q179 PolarHBondContact O-N 2.86Å; H177-F231 AromaticContact CD2-CE2 3.97Å; H177-F231 AromaticContact CE1-CE2 3.37Å; H177-F231 WeakPolarHBondContact CE1-CE2 3.46Å; H177-F231 AromaticContact CE1-CZ 3.65Å; H177-F231 AromaticContact CG-CE2 3.99Å; H177-F231 AromaticContact ND1-CE2 3.64Å; H177-F231 AromaticContact ND1-CZ 3.83Å; H177-F231 AromaticContact NE2-CE2 3.63Å |
| 178 | F | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | trans | -66.3 | 122.9 | -177.6 | -73.6 | -13.3 | 0 | 0 | 0 | 111.9 | P141 C144 T174 I175 Y191 V195 V198 S234 A236 | P141-F178 HydrophobicContact CB-CD1 4.3Å; P141-F178 HydrophobicContact CB-CE1 4.45Å; P141-F178 HydrophobicContact CB-CG 4.33Å; P141-F178 HydrophobicContact CG-CB 4.01Å; P141-F178 HydrophobicContact CG-CD1 3.76Å; P141-F178 HydrophobicContact CG-CD2 4.49Å; P141-F178 HydrophobicContact CG-CE1 4.32Å; P141-F178 HydrophobicContact CG-CG 3.86Å; C144-F178 HydrophobicContact CB-CE1 4.09Å; C144-F178 HydrophobicContact CB-CZ 3.71Å; T174-F178 HydrophobicContact CG2-CD1 4.4Å; T174-F178 HydrophobicContact CG2-CE1 3.56Å; T174-F178 HydrophobicContact CG2-CZ 4Å; T174-F178 VanDerWaalsContact O-CD1 3.3Å; T174-F178 WeakPolarHBondContact O-CD1 3.22Å; T174-F178 PolarHBondContact O-N 3.04Å; I175-F178 HydrophobicContact CB-CD2 4.15Å; I175-F178 HydrophobicContact CB-CE2 4.15Å; I175-F178 HydrophobicContact CG1-CD2 4.16Å; I175-F178 HydrophobicContact CG1-CE2 3.65Å; I175-F178 HydrophobicContact CG1-CZ 4.16Å; I175-F178 HydrophobicContact CG2-CD2 4.09Å; I175-F178 HydrophobicContact CG2-CE2 4.39Å; I175-F178 WeakPolarHBondContact O-CB 3.4Å; I175-F178 PolarHBondContact O-N 2.93Å; I175-F178 VanDerWaalsContact O-N 3.15Å; F178-Y191 HydrophobicContact CB-CE2 4.17Å; F178-Y191 PolarHBondContact O-OH 2.86Å; F178-Y191 VanDerWaalsContact O-OH 3.07Å; F178-V195 HydrophobicContact CD2-CB 4.47Å; F178-V195 HydrophobicContact CD2-CG1 4.32Å; F178-V195 HydrophobicContact CD2-CG2 3.68Å; F178-V195 HydrophobicContact CE2-CG2 4.22Å; F178-V198 HydrophobicContact CE2-CB 4.3Å; F178-V198 HydrophobicContact CE2-CG1 4.33Å; F178-V198 HydrophobicContact CE2-CG2 4.13Å; F178-V198 HydrophobicContact CZ-CG1 4.37Å; F178-V198 HydrophobicContact CZ-CG2 4.15Å; F178-S234 WeakPolarHBondContact O-CB 3.41Å; F178-S234 PolarHBondContact O-OG 2.71Å; F178-A236 HydrophobicContact CB-CB 4.02Å; F178-A236 HydrophobicContact CD2-CB 4.29Å | ||
| 179 | Q | 93.4 | Very high | 94.1 | Very high | 130 Ų | 130 | 69 Ų | 69 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | trans | -132 | 156.3 | 174.9 | 57.2 | -179.9 | -7.5 | 0 | 0 | 110.2 | H177 | H177-Q179 PolarHBondContact O-N 2.86Š| ||
| 180 | C | 92.5 | Very high | 94 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 31% | 0.311 | 34% | 0.338 | S | S | . | . | trans | -121.6 | 112.6 | 166.1 | -170 | 0 | 0 | 0 | 0 | 107.6 | L188 Y191 | C180-L188 HydrophobicContact CB-CD2 4.18Å; C180-Y191 HydrophobicContact CB-CD1 3.94Å; C180-Y191 HydrophobicContact CB-CD2 3.94Å; C180-Y191 HydrophobicContact CB-CE1 4.26Å; C180-Y191 HydrophobicContact CB-CE2 4.26Å; C180-Y191 HydrophobicContact CB-CG 3.77Å | ||
| 181 | V | 90.2 | Very high | 94 | Very high | 131 Ų | 131 | 69.7 Ų | 69.7 | 79% | 0.794 | 34% | 0.335 | S | S | * | . | trans | -76.9 | -17.6 | -178.7 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 182 | S | 90.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | trans | -85 | 137.5 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | Q184 E187 | S182-Q184 PolarHBondContact OG-N 3.35Å; S182-E187 WeakPolarHBondContact CB-OE2 3.36Å; S182-E187 PolarHBondContact OG-OE2 2.86Å | ||
| 183 | T | 90.5 | Very high | 93.9 | Very high | 133 Ų | 133 | 74 Ų | 74 | 82% | 0.816 | 36% | 0.364 | S | S | * | . | trans | -91.2 | 0.4 | 172.4 | 56.5 | 0 | 0 | 0 | 0 | 113 | E185 | T183-E185 PolarHBondContact O-N 3.04Š| ||
| 184 | Q | 93.3 | Very high | 93.9 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | trans | -72.6 | 128 | 179.9 | -67.2 | -165 | 62.1 | 0 | 0 | 111.5 | S182 R186 E187 L188 | S182-Q184 PolarHBondContact OG-N 3.35Å; Q184-R186 PolarHBondContact O-N 3.3Å; Q184-R186 VanDerWaalsContact O-N 3.15Å; Q184-E187 HydrophobicContact CB-CB 4.37Å; Q184-E187 HydrophobicContact CB-CG 4.45Å; Q184-E187 PolarHBondContact NE2-OE1 3.26Å; Q184-E187 VanDerWaalsContact NE2-OE1 3.07Å; Q184-E187 PolarHBondContact O-N 2.93Å; Q184-L188 WeakPolarHBondContact O-CG 3.48Å; Q184-L188 PolarHBondContact O-N 3.11Å | ||
| 185 | E | 91.4 | Very high | 93.9 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.8 | -35.7 | -176.5 | -155.4 | -148.2 | 159.9 | 0 | 0 | 112.8 | T183 L188 R189 | T183-E185 PolarHBondContact O-N 3.04Å; E185-L188 PolarHBondContact O-N 3.4Å; E185-R189 VanDerWaalsContact O-CG 3.24Å; E185-R189 WeakPolarHBondContact O-CG 3.3Å; E185-R189 PolarHBondContact O-N 3.44Å; E185-R189 IonicContact OE1-CZ 3.17Å; E185-R189 IonicContact OE1-NE 3.62Å; E185-R189 PolarHBondContact OE1-NE 3.5Å; E185-R189 IonicContact OE1-NH2 2.73Å; E185-R189 PolarHBondContact OE1-NH2 3.36Å; E185-R189 IonicContact OE2-CZ 3.27Å; E185-R189 IonicContact OE2-NE 2.89Å; E185-R189 IonicContact OE2-NH2 3.29Å; E185-R189 PolarHBondContact OE2-NH2 2.99Å |
| 186 | R | 92.6 | Very high | 93.9 | Very high | 170 Ų | 170 | 73 Ų | 73 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.8 | -51.2 | 175.3 | 178.9 | 179.9 | 170.8 | -169.7 | -11.3 | 111.7 | Q184 L188 R189 E190 | Q184-R186 PolarHBondContact O-N 3.3Å; Q184-R186 VanDerWaalsContact O-N 3.15Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.34Å; R186-R189 PolarHBondContact O-N 3.47Å; R186-E190 IonicContact CZ-OE1 3.63Å; R186-E190 VanDerWaalsContact CZ-OE1 3.27Å; R186-E190 IonicContact NE-OE1 3.69Å; R186-E190 PolarHBondContact NE-OE1 3.41Å; R186-E190 IonicContact NH2-OE1 3.58Å; R186-E190 PolarHBondContact NH2-OE1 3.15Å; R186-E190 WeakPolarHBondContact O-CG 3.42Å; R186-E190 PolarHBondContact O-N 3.27Å |
| 187 | E | 92.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 76.9 Ų | 76.9 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.1 | -32.2 | -176.6 | -70.1 | 163.8 | -147.7 | 0 | 0 | 111 | S182 Q184 E190 Y191 | S182-E187 WeakPolarHBondContact CB-OE2 3.36Å; S182-E187 PolarHBondContact OG-OE2 2.86Å; Q184-E187 HydrophobicContact CB-CB 4.37Å; Q184-E187 HydrophobicContact CB-CG 4.45Å; Q184-E187 PolarHBondContact NE2-OE1 3.26Å; Q184-E187 VanDerWaalsContact NE2-OE1 3.07Å; Q184-E187 PolarHBondContact O-N 2.93Å; E187-E190 PolarHBondContact O-N 3.01Å; E187-Y191 VanDerWaalsContact O-CB 3.25Å; E187-Y191 WeakPolarHBondContact O-CB 3.49Å; E187-Y191 PolarHBondContact O-N 3.48Å |
| 188 | L | 91.9 | Very high | 94 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 169.8 | -69.5 | 168.4 | 0 | 0 | 0 | 112.7 | C180 Q184 E185 R186 Y191 V192 | C180-L188 HydrophobicContact CB-CD2 4.18Å; Q184-L188 WeakPolarHBondContact O-CG 3.48Å; Q184-L188 PolarHBondContact O-N 3.11Å; E185-L188 PolarHBondContact O-N 3.4Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.34Å; L188-Y191 PolarHBondContact O-N 2.84Å; L188-V192 WeakPolarHBondContact O-CG2 3.25Å; L188-V192 PolarHBondContact O-N 2.97Å |
| 189 | R | 93.4 | Very high | 94 | Very high | 157 Ų | 157 | 72.6 Ų | 72.6 | 59% | 0.592 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 173.2 | -69.7 | 168.2 | -175.2 | -177.2 | 4.5 | 111.5 | E185 R186 V192 S193 | E185-R189 VanDerWaalsContact O-CG 3.24Å; E185-R189 WeakPolarHBondContact O-CG 3.3Å; E185-R189 PolarHBondContact O-N 3.44Å; E185-R189 IonicContact OE1-CZ 3.17Å; E185-R189 IonicContact OE1-NE 3.62Å; E185-R189 PolarHBondContact OE1-NE 3.5Å; E185-R189 IonicContact OE1-NH2 2.73Å; E185-R189 PolarHBondContact OE1-NH2 3.36Å; E185-R189 IonicContact OE2-CZ 3.27Å; E185-R189 IonicContact OE2-NE 2.89Å; E185-R189 IonicContact OE2-NH2 3.29Å; E185-R189 PolarHBondContact OE2-NH2 2.99Å; R186-R189 PolarHBondContact O-N 3.47Å; R189-V192 PolarHBondContact O-N 2.89Å; R189-S193 PolarHBondContact O-N 2.71Å |
| 190 | E | 94.7 | Very high | 94.1 | Very high | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 176.8 | -72.1 | -178.1 | -160.1 | 0 | 0 | 111.1 | R186 E187 S193 Q194 | R186-E190 IonicContact CZ-OE1 3.63Å; R186-E190 VanDerWaalsContact CZ-OE1 3.27Å; R186-E190 IonicContact NE-OE1 3.69Å; R186-E190 PolarHBondContact NE-OE1 3.41Å; R186-E190 IonicContact NH2-OE1 3.58Å; R186-E190 PolarHBondContact NH2-OE1 3.15Å; R186-E190 WeakPolarHBondContact O-CG 3.42Å; R186-E190 PolarHBondContact O-N 3.27Å; E187-E190 PolarHBondContact O-N 3.01Å; E190-S193 WeakPolarHBondContact O-CB 3.49Å; E190-S193 PolarHBondContact O-N 3.06Å; E190-Q194 WeakPolarHBondContact O-CG 3.26Å; E190-Q194 PolarHBondContact O-N 3.28Å |
| 191 | Y | 96.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 68 Ų | 68 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 172.6 | 168.5 | -107.1 | 0 | 0 | 0 | 112.8 | P141 F178 C180 E187 L188 S193 Q194 V195 W280 | P141-Y191 HydrophobicContact CB-CD2 3.96Å; P141-Y191 HydrophobicContact CB-CE2 4.12Å; P141-Y191 HydrophobicContact CG-CD2 3.86Å; P141-Y191 HydrophobicContact CG-CE2 3.68Å; F178-Y191 HydrophobicContact CB-CE2 4.17Å; F178-Y191 PolarHBondContact O-OH 2.86Å; F178-Y191 VanDerWaalsContact O-OH 3.07Å; C180-Y191 HydrophobicContact CB-CD1 3.94Å; C180-Y191 HydrophobicContact CB-CD2 3.94Å; C180-Y191 HydrophobicContact CB-CE1 4.26Å; C180-Y191 HydrophobicContact CB-CE2 4.26Å; C180-Y191 HydrophobicContact CB-CG 3.77Å; E187-Y191 VanDerWaalsContact O-CB 3.25Å; E187-Y191 WeakPolarHBondContact O-CB 3.49Å; E187-Y191 PolarHBondContact O-N 3.48Å; L188-Y191 PolarHBondContact O-N 2.84Å; Y191-S193 VanDerWaalsContact C-N 3.26Å; Y191-S193 PolarHBondContact O-N 2.88Å; Y191-Q194 WeakPolarHBondContact O-CB 3.37Å; Y191-Q194 PolarHBondContact O-N 3.46Å; Y191-Q194 VanDerWaalsContact O-N 3.15Å; Y191-V195 HydrophobicContact CD2-CG2 4.08Å; Y191-V195 HydrophobicContact CE1-CG2 4.44Å; Y191-V195 HydrophobicContact CE2-CG2 3.73Å; Y191-V195 WeakPolarHBondContact O-CG2 3.34Å; Y191-V195 PolarHBondContact O-N 2.86Å; Y191-W280 HydrophobicContact CE1-CH2 4.29Å; Y191-W280 AromaticContact CE1-CZ3 3.87Å; Y191-W280 HydrophobicContact CE1-CZ3 3.87Å |
| 192 | V | 95.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | L188 R189 T196 W280 P281 L282 | L188-V192 WeakPolarHBondContact O-CG2 3.25Å; L188-V192 PolarHBondContact O-N 2.97Å; R189-V192 PolarHBondContact O-N 2.89Å; V192-T196 VanDerWaalsContact O-CB 3.3Å; V192-T196 WeakPolarHBondContact O-CB 3.36Å; V192-T196 PolarHBondContact O-N 3.46Å; V192-T196 PolarHBondContact O-OG1 3.43Å; V192-W280 HydrophobicContact CB-CH2 4.44Å; V192-W280 HydrophobicContact CG1-CH2 4.47Å; V192-W280 HydrophobicContact CG1-CZ2 4.11Å; V192-W280 HydrophobicContact CG2-CH2 4.08Å; V192-W280 HydrophobicContact CG2-CZ2 4.45Å; V192-W280 HydrophobicContact CG2-CZ3 4.47Å; V192-P281 HydrophobicContact CG2-CB 4.43Å; V192-P281 HydrophobicContact CG2-CG 3.93Å; V192-L282 HydrophobicContact CG1-CD1 3.98Å; V192-L282 HydrophobicContact CG1-CG 4.23Å |
| 193 | S | 96.1 | Very high | 94.6 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 175 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | R189 E190 Y191 T196 K197 | R189-S193 PolarHBondContact O-N 2.71Å; E190-S193 WeakPolarHBondContact O-CB 3.49Å; E190-S193 PolarHBondContact O-N 3.06Å; Y191-S193 VanDerWaalsContact C-N 3.26Å; Y191-S193 PolarHBondContact O-N 2.88Å; S193-T196 WeakPolarHBondContact O-CB 3.47Å; S193-T196 PolarHBondContact O-N 2.82Å; S193-K197 PolarHBondContact O-N 3.06Å |
| 194 | Q | 96.4 | Very high | 94.8 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -53.2 | 177.3 | -69.5 | 160.1 | 24.5 | 0 | 0 | 111.6 | P141 Q142 A145 E190 Y191 T196 K197 V198 | P141-Q194 HydrophobicContact CB-CB 4.35Å; Q142-Q194 VanDerWaalsContact CA-OE1 3.32Å; Q142-Q194 VanDerWaalsContact N-OE1 3.11Å; A145-Q194 HydrophobicContact CB-CB 3.76Å; A145-Q194 HydrophobicContact CB-CG 3.98Å; E190-Q194 WeakPolarHBondContact O-CG 3.26Å; E190-Q194 PolarHBondContact O-N 3.28Å; Y191-Q194 WeakPolarHBondContact O-CB 3.37Å; Y191-Q194 PolarHBondContact O-N 3.46Å; Y191-Q194 VanDerWaalsContact O-N 3.15Å; Q194-T196 VanDerWaalsContact C-N 3.26Å; Q194-T196 PolarHBondContact O-N 2.89Å; Q194-K197 WeakPolarHBondContact O-CB 3.29Å; Q194-K197 PolarHBondContact O-N 3.34Å; Q194-K197 VanDerWaalsContact O-N 3.11Å; Q194-V198 PolarHBondContact O-N 3.12Å |
| 195 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | F178 Y191 K197 V198 S199 A236 W280 | F178-V195 HydrophobicContact CD2-CB 4.47Å; F178-V195 HydrophobicContact CD2-CG1 4.32Å; F178-V195 HydrophobicContact CD2-CG2 3.68Å; F178-V195 HydrophobicContact CE2-CG2 4.22Å; Y191-V195 HydrophobicContact CD2-CG2 4.08Å; Y191-V195 HydrophobicContact CE1-CG2 4.44Å; Y191-V195 HydrophobicContact CE2-CG2 3.73Å; Y191-V195 WeakPolarHBondContact O-CG2 3.34Å; Y191-V195 PolarHBondContact O-N 2.86Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.87Å; V195-V198 PolarHBondContact O-N 3.3Å; V195-V198 VanDerWaalsContact O-N 3.16Å; V195-S199 PolarHBondContact O-N 2.76Å; V195-A236 HydrophobicContact CG1-CB 3.91Å; V195-A236 HydrophobicContact CG2-CB 4.38Å; V195-W280 HydrophobicContact CB-CH2 3.68Å; V195-W280 HydrophobicContact CB-CZ2 4.09Å; V195-W280 HydrophobicContact CG1-CH2 3.63Å; V195-W280 HydrophobicContact CG1-CZ2 3.83Å; V195-W280 HydrophobicContact CG2-CH2 3.99Å |
| 196 | T | 95.9 | Very high | 95 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 23% | 0.233 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 177 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | V192 S193 Q194 S199 N200 | V192-T196 VanDerWaalsContact O-CB 3.3Å; V192-T196 WeakPolarHBondContact O-CB 3.36Å; V192-T196 PolarHBondContact O-N 3.46Å; V192-T196 PolarHBondContact O-OG1 3.43Å; S193-T196 WeakPolarHBondContact O-CB 3.47Å; S193-T196 PolarHBondContact O-N 2.82Å; Q194-T196 VanDerWaalsContact C-N 3.26Å; Q194-T196 PolarHBondContact O-N 2.89Å; T196-S199 PolarHBondContact O-N 3.27Å; T196-N200 WeakPolarHBondContact O-CB 3.44Å; T196-N200 PolarHBondContact O-N 3.34Å; T196-N200 PolarHBondContact O-ND2 3.27Å |
| 197 | K | 96.1 | Very high | 95 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 172.5 | -70.9 | -174.2 | 172.1 | -144.5 | 0 | 112.2 | A145 D149 S193 Q194 V195 N200 L201 | A145-K197 HydrophobicContact CB-CB 4.33Å; A145-K197 HydrophobicContact CB-CD 4.22Å; D149-K197 IonicContact OD1-NZ 2.77Å; D149-K197 PolarHBondContact OD1-NZ 2.74Å; D149-K197 IonicContact OD2-NZ 2.64Å; D149-K197 PolarHBondContact OD2-NZ 3Å; S193-K197 PolarHBondContact O-N 3.06Å; Q194-K197 WeakPolarHBondContact O-CB 3.29Å; Q194-K197 PolarHBondContact O-N 3.34Å; Q194-K197 VanDerWaalsContact O-N 3.11Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.87Å; K197-N200 PolarHBondContact O-N 2.95Å; K197-L201 PolarHBondContact O-N 2.84Å |
| 198 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -42 | 179.3 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | C144 S148 L171 I175 F178 Q194 V195 L201 L202 | C144-V198 HydrophobicContact CB-CG2 3.97Å; S148-V198 WeakPolarHBondContact OG-CA 3.37Å; L171-V198 HydrophobicContact CD1-CG1 3.69Å; L171-V198 HydrophobicContact CD2-CG1 4.2Å; L171-V198 HydrophobicContact CG-CG1 4.08Å; I175-V198 HydrophobicContact CD1-CG1 3.93Å; I175-V198 HydrophobicContact CG1-CG1 3.96Å; F178-V198 HydrophobicContact CE2-CB 4.3Å; F178-V198 HydrophobicContact CE2-CG1 4.33Å; F178-V198 HydrophobicContact CE2-CG2 4.13Å; F178-V198 HydrophobicContact CZ-CG1 4.37Å; F178-V198 HydrophobicContact CZ-CG2 4.15Å; Q194-V198 PolarHBondContact O-N 3.12Å; V195-V198 PolarHBondContact O-N 3.3Å; V195-V198 VanDerWaalsContact O-N 3.16Å; V198-L201 PolarHBondContact O-N 2.99Å; V198-L202 PolarHBondContact O-N 3.29Å; V198-L202 VanDerWaalsContact O-N 3.12Å |
| 199 | S | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 172.6 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | V195 T196 L201 L202 Q203 S239 | V195-S199 PolarHBondContact O-N 2.76Å; T196-S199 PolarHBondContact O-N 3.27Å; S199-L201 PolarHBondContact O-N 2.9Å; S199-L202 PolarHBondContact O-N 3.18Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 VanDerWaalsContact O-CG 3.32Å; S199-Q203 WeakPolarHBondContact O-CG 3.32Å; S199-Q203 PolarHBondContact O-N 2.9Å; S199-Q203 PolarHBondContact OG-NE2 2.97Å; S199-S239 PolarHBondContact OG-O 3.32Å |
| 200 | N | 95.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 178.5 | -73.1 | -18.6 | 0 | 0 | 0 | 112.8 | T196 K197 N204 | T196-N200 WeakPolarHBondContact O-CB 3.44Å; T196-N200 PolarHBondContact O-N 3.34Å; T196-N200 PolarHBondContact O-ND2 3.27Å; K197-N200 PolarHBondContact O-N 2.95Å; N200-N204 WeakPolarHBondContact O-CB 3.4Å; N200-N204 PolarHBondContact O-N 3.27Å; N200-N204 PolarHBondContact O-ND2 3.3Å |
| 201 | L | 96.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -53 | 171.5 | 177.6 | 77.6 | 0 | 0 | 0 | 110.5 | L151 I158 F167 L171 K197 V198 S199 Q203 N204 I205 | L151-L201 HydrophobicContact CB-CD1 3.69Å; L151-L201 HydrophobicContact CB-CD2 4.27Å; L151-L201 HydrophobicContact CD1-CD2 4Å; I158-L201 HydrophobicContact CD1-CD1 4.49Å; F167-L201 HydrophobicContact CE1-CD2 4.49Å; L171-L201 HydrophobicContact CD2-CD2 4.16Å; K197-L201 PolarHBondContact O-N 2.84Å; V198-L201 PolarHBondContact O-N 2.99Å; S199-L201 PolarHBondContact O-N 2.9Å; L201-Q203 VanDerWaalsContact C-N 3.35Å; L201-Q203 PolarHBondContact O-N 2.85Å; L201-N204 PolarHBondContact O-N 3.35Å; L201-I205 HydrophobicContact CD1-CD1 4.46Å; L201-I205 HydrophobicContact CD2-CD1 4.38Å; L201-I205 HydrophobicContact CG-CD1 4.03Å; L201-I205 WeakPolarHBondContact O-CG1 3.48Å; L201-I205 PolarHBondContact O-N 3.37Å |
| 202 | L | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | -175.5 | -174 | 55 | 0 | 0 | 0 | 111.9 | C168 L171 V172 I175 V198 S199 N204 I205 W206 L240 | C168-L202 HydrophobicContact CB-CD1 3.75Å; C168-L202 VanDerWaalsContact SG-CD1 3.58Å; L171-L202 HydrophobicContact CD2-CB 4.2Å; L171-L202 HydrophobicContact CD2-CD1 4.36Å; V172-L202 HydrophobicContact CG2-CD2 3.73Å; I175-L202 HydrophobicContact CD1-CD2 4.38Å; V198-L202 PolarHBondContact O-N 3.29Å; V198-L202 VanDerWaalsContact O-N 3.12Å; S199-L202 PolarHBondContact O-N 3.18Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 2.86Å; L202-I205 PolarHBondContact O-N 3.28Å; L202-W206 HydrophobicContact CD1-CZ2 4.43Å; L202-W206 HydrophobicContact CD2-CH2 4.44Å; L202-W206 HydrophobicContact CD2-CZ2 3.74Å; L202-W206 HydrophobicContact CG-CD2 4.4Å; L202-W206 HydrophobicContact CG-CH2 4.44Å; L202-W206 HydrophobicContact CG-CZ2 3.69Å; L202-W206 VanDerWaalsContact O-CG 3.24Å; L202-W206 PolarHBondContact O-N 3.13Å; L202-L240 HydrophobicContact CB-CD2 4.46Å; L202-L240 HydrophobicContact CD2-CD1 4.2Å; L202-L240 HydrophobicContact CD2-CD2 3.79Å |
| 203 | Q | 93.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -34.3 | 172.1 | -71.1 | 179.4 | 45.1 | 0 | 0 | 113 | S199 L201 W206 K207 | S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 VanDerWaalsContact O-CG 3.32Å; S199-Q203 WeakPolarHBondContact O-CG 3.32Å; S199-Q203 PolarHBondContact O-N 2.9Å; S199-Q203 PolarHBondContact OG-NE2 2.97Å; L201-Q203 VanDerWaalsContact C-N 3.35Å; L201-Q203 PolarHBondContact O-N 2.85Å; Q203-W206 HydrophobicContact CB-CE3 4.38Å; Q203-W206 HydrophobicContact CG-CE3 3.97Å; Q203-W206 HydrophobicContact CG-CZ3 3.93Å; Q203-W206 PolarHBondContact O-N 3.36Å; Q203-K207 VanDerWaalsContact O-CG 3.27Å; Q203-K207 WeakPolarHBondContact O-CG 2.97Å; Q203-K207 PolarHBondContact O-N 3.27Å; Q203-K207 VanDerWaalsContact O-N 3.12Å |
| 204 | N | 94.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.5 | -34.5 | 175.8 | -70.6 | -17.1 | 0 | 0 | 0 | 111.7 | N200 L201 L202 K207 A208 | N200-N204 WeakPolarHBondContact O-CB 3.4Å; N200-N204 PolarHBondContact O-N 3.27Å; N200-N204 PolarHBondContact O-ND2 3.3Å; L201-N204 PolarHBondContact O-N 3.35Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 2.86Å; N204-K207 PolarHBondContact O-N 2.96Å; N204-K207 PolarHBondContact OD1-NZ 3.33Å; N204-A208 WeakPolarHBondContact O-CB 3.46Å; N204-A208 PolarHBondContact O-N 3.05Å |
| 205 | I | 94.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 169.5 | -63.9 | 167.9 | 0 | 0 | 0 | 110.5 | I158 F167 L201 L202 K207 A208 E209 T212 | I158-I205 HydrophobicContact CD1-CD1 4.23Å; I158-I205 HydrophobicContact CD1-CG1 4.07Å; I158-I205 HydrophobicContact CG2-CD1 4.1Å; I158-I205 HydrophobicContact CG2-CG1 4.49Å; F167-I205 HydrophobicContact CD1-CD1 4.17Å; F167-I205 HydrophobicContact CE1-CD1 3.8Å; L201-I205 HydrophobicContact CD1-CD1 4.46Å; L201-I205 HydrophobicContact CD2-CD1 4.38Å; L201-I205 HydrophobicContact CG-CD1 4.03Å; L201-I205 WeakPolarHBondContact O-CG1 3.48Å; L201-I205 PolarHBondContact O-N 3.37Å; L202-I205 PolarHBondContact O-N 3.28Å; I205-K207 VanDerWaalsContact C-N 3.27Å; I205-K207 PolarHBondContact O-N 2.88Å; I205-A208 PolarHBondContact O-N 2.82Å; I205-A208 VanDerWaalsContact O-N 3.14Å; I205-E209 PolarHBondContact O-N 3.01Å; I205-T212 HydrophobicContact CG2-CG2 4.38Å |
| 206 | W | 93.9 | Very high | 94 | Very high | 18 Ų | 18 | 44 Ų | 44 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -32.6 | 175.5 | -62.9 | -19.5 | 0 | 0 | 0 | 113.7 | L202 Q203 P210 L213 S216 L217 L240 I244 | L202-W206 HydrophobicContact CD1-CZ2 4.43Å; L202-W206 HydrophobicContact CD2-CH2 4.44Å; L202-W206 HydrophobicContact CD2-CZ2 3.74Å; L202-W206 HydrophobicContact CG-CD2 4.4Å; L202-W206 HydrophobicContact CG-CH2 4.44Å; L202-W206 HydrophobicContact CG-CZ2 3.69Å; L202-W206 VanDerWaalsContact O-CG 3.24Å; L202-W206 PolarHBondContact O-N 3.13Å; Q203-W206 HydrophobicContact CB-CE3 4.38Å; Q203-W206 HydrophobicContact CG-CE3 3.97Å; Q203-W206 HydrophobicContact CG-CZ3 3.93Å; Q203-W206 PolarHBondContact O-N 3.36Å; W206-P210 WeakPolarHBondContact O-CA 3.33Å; W206-L213 HydrophobicContact CB-CB 4.33Å; W206-L213 HydrophobicContact CB-CD1 4.16Å; W206-L213 HydrophobicContact CD2-CD1 3.45Å; W206-L213 VanDerWaalsContact CD2-CD1 3.45Å; W206-L213 HydrophobicContact CE3-CD1 3.56Å; W206-L213 HydrophobicContact CG-CB 4.2Å; W206-L213 HydrophobicContact CG-CD1 3.75Å; W206-L213 HydrophobicContact CZ2-CD1 4.42Å; W206-L213 HydrophobicContact CZ3-CD1 4.12Å; W206-S216 VanDerWaalsContact NE1-CB 3.32Å; W206-S216 PolarHBondContact NE1-OG 3.03Å; W206-L217 HydrophobicContact CH2-CD2 4.29Å; W206-L240 HydrophobicContact CH2-CB 4.19Å; W206-L240 HydrophobicContact CH2-CD2 4.35Å; W206-I244 HydrophobicContact CE3-CD1 4.29Å; W206-I244 HydrophobicContact CH2-CD1 4.28Å; W206-I244 HydrophobicContact CZ3-CD1 3.66Å |
| 207 | K | 92.5 | Very high | 93.9 | Very high | 141 Ų | 141 | 42.3 Ų | 42.3 | 61% | 0.613 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -73.2 | -37.3 | 174.2 | -68.3 | 163.2 | -158.9 | 161.3 | 0 | 112.1 | Q203 N204 I205 | Q203-K207 VanDerWaalsContact O-CG 3.27Å; Q203-K207 WeakPolarHBondContact O-CG 2.97Å; Q203-K207 PolarHBondContact O-N 3.27Å; Q203-K207 VanDerWaalsContact O-N 3.12Å; N204-K207 PolarHBondContact O-N 2.96Å; N204-K207 PolarHBondContact OD1-NZ 3.33Å; I205-K207 VanDerWaalsContact C-N 3.27Å; I205-K207 PolarHBondContact O-N 2.88Å |
| 208 | A | 93.2 | Very high | 93.6 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 73% | 0.727 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -78.7 | -37.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N204 I205 | N204-A208 WeakPolarHBondContact O-CB 3.46Å; N204-A208 PolarHBondContact O-N 3.05Å; I205-A208 PolarHBondContact O-N 2.82Å; I205-A208 VanDerWaalsContact O-N 3.14Å |
| 209 | E | 92.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | trans | -134.1 | 82.4 | 179.5 | -158.1 | -169.2 | 165.2 | 0 | 0 | 111 | S164 I205 T211 T212 | S164-E209 VanDerWaalsContact CB-OE2 3.22Å; S164-E209 WeakPolarHBondContact CB-OE2 3.49Å; S164-E209 VanDerWaalsContact OG-CD 3.3Å; S164-E209 PolarHBondContact OG-OE1 2.86Å; S164-E209 PolarHBondContact OG-OE2 3.07Å; I205-E209 PolarHBondContact O-N 3.01Å; E209-T211 WeakPolarHBondContact CG-OG1 3.47Å; E209-T211 PolarHBondContact O-N 3.24Å; E209-T211 PolarHBondContact OE1-OG1 2.84Å; E209-T212 HydrophobicContact CB-CG2 4.21Å; E209-T212 HydrophobicContact CG-CG2 4.36Å; E209-T212 WeakPolarHBondContact O-CB 3.14Å; E209-T212 PolarHBondContact O-N 2.94Å; E209-T212 PolarHBondContact O-OG1 2.88Å | ||
| 210 | P | 90.7 | Very high | 93.5 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 60% | 0.597 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -60.4 | -16.5 | -172.3 | -28.1 | 36.8 | 0 | 0 | 0 | 116.4 | W206 T212 L213 | W206-P210 WeakPolarHBondContact O-CA 3.33Å; P210-T212 PolarHBondContact O-N 2.86Å; P210-L213 WeakPolarHBondContact O-CB 3.26Å; P210-L213 PolarHBondContact O-N 3.32Å |
| 211 | T | 91.7 | Very high | 93.2 | Very high | 90 Ų | 90 | 41.4 Ų | 41.4 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62.3 | -23.6 | 172 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | E209 P215 | E209-T211 WeakPolarHBondContact CG-OG1 3.47Å; E209-T211 PolarHBondContact O-N 3.24Å; E209-T211 PolarHBondContact OE1-OG1 2.84Å; T211-P215 WeakPolarHBondContact O-CD 3.43Å |
| 212 | T | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -77.6 | -22.1 | 178.7 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | S164 I165 I205 E209 P210 S216 | S164-T212 WeakPolarHBondContact OG-CG2 3.39Å; I165-T212 HydrophobicContact CG1-CG2 4.07Å; I205-T212 HydrophobicContact CG2-CG2 4.38Å; E209-T212 HydrophobicContact CB-CG2 4.21Å; E209-T212 HydrophobicContact CG-CG2 4.36Å; E209-T212 WeakPolarHBondContact O-CB 3.14Å; E209-T212 PolarHBondContact O-N 2.94Å; E209-T212 PolarHBondContact O-OG1 2.88Å; P210-T212 PolarHBondContact O-N 2.86Å; T212-S216 WeakPolarHBondContact O-CB 3.31Å; T212-S216 PolarHBondContact O-N 2.82Å; T212-S216 VanDerWaalsContact O-N 3.14Å; T212-S216 PolarHBondContact O-OG 2.82Å |
| 213 | L | 92.4 | Very high | 92.8 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -54.1 | -173.5 | 176.8 | 63.3 | 0 | 0 | 0 | 112.6 | W206 P210 S216 L217 I244 M248 | W206-L213 HydrophobicContact CB-CB 4.33Å; W206-L213 HydrophobicContact CB-CD1 4.16Å; W206-L213 HydrophobicContact CD2-CD1 3.45Å; W206-L213 VanDerWaalsContact CD2-CD1 3.45Å; W206-L213 HydrophobicContact CE3-CD1 3.56Å; W206-L213 HydrophobicContact CG-CB 4.2Å; W206-L213 HydrophobicContact CG-CD1 3.75Å; W206-L213 HydrophobicContact CZ2-CD1 4.42Å; W206-L213 HydrophobicContact CZ3-CD1 4.12Å; P210-L213 WeakPolarHBondContact O-CB 3.26Å; P210-L213 PolarHBondContact O-N 3.32Å; L213-S216 WeakPolarHBondContact O-CB 3.3Å; L213-S216 PolarHBondContact O-N 3.25Å; L213-L217 HydrophobicContact CD1-CD1 3.85Å; L213-L217 HydrophobicContact CD1-CG 4.18Å; L213-L217 HydrophobicContact CG-CD1 4.11Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 2.9Å; L213-I244 HydrophobicContact CD1-CD1 4.19Å; L213-M248 HydrophobicContact CD2-CE 4.47Å |
| 214 | L | 90.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.7 | -47.4 | -176.3 | 175.2 | 63.8 | 0 | 0 | 0 | 112.6 | S216 L217 Q218 M248 L252 | L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 3.12Å; L214-L217 PolarHBondContact O-N 2.89Å; L214-Q218 HydrophobicContact CD1-CG 4.15Å; L214-Q218 HydrophobicContact CG-CG 4.48Å; L214-Q218 WeakPolarHBondContact O-CB 3.42Å; L214-Q218 WeakPolarHBondContact O-CG 3.32Å; L214-Q218 PolarHBondContact O-N 2.85Å; L214-M248 HydrophobicContact CD1-SD 4Å; L214-L252 HydrophobicContact CD1-CD2 4.24Å |
| 215 | P | 93.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -34.1 | 173.3 | -26.3 | 35.7 | 0 | 0 | 0 | 114 | I165 Q169 T211 E219 | I165-P215 HydrophobicContact CG2-CB 3.69Å; I165-P215 HydrophobicContact CG2-CG 3.91Å; Q169-P215 HydrophobicContact CG-CB 4.41Å; T211-P215 WeakPolarHBondContact O-CD 3.43Å; P215-E219 PolarHBondContact O-N 3.46Å; P215-E219 VanDerWaalsContact O-N 3.09Å |
| 216 | S | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -44.7 | 175.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | C168 W206 T212 L213 L214 E219 V220 | C168-S216 VanDerWaalsContact CB-OG 3.31Å; C168-S216 WeakPolarHBondContact CB-OG 3.48Å; W206-S216 VanDerWaalsContact NE1-CB 3.32Å; W206-S216 PolarHBondContact NE1-OG 3.03Å; T212-S216 WeakPolarHBondContact O-CB 3.31Å; T212-S216 PolarHBondContact O-N 2.82Å; T212-S216 VanDerWaalsContact O-N 3.14Å; T212-S216 PolarHBondContact O-OG 2.82Å; L213-S216 WeakPolarHBondContact O-CB 3.3Å; L213-S216 PolarHBondContact O-N 3.25Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 3.12Å; S216-E219 WeakPolarHBondContact O-CB 3.41Å; S216-E219 PolarHBondContact O-N 3.32Å; S216-V220 PolarHBondContact O-N 3.01Å |
| 217 | L | 92.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.6 | -33.8 | 178.2 | -65.3 | 174.9 | 0 | 0 | 0 | 112.3 | W206 L213 L214 E219 V220 F221 I244 M248 L252 | W206-L217 HydrophobicContact CH2-CD2 4.29Å; L213-L217 HydrophobicContact CD1-CD1 3.85Å; L213-L217 HydrophobicContact CD1-CG 4.18Å; L213-L217 HydrophobicContact CG-CD1 4.11Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 2.9Å; L214-L217 PolarHBondContact O-N 2.89Å; L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 2.89Å; L217-V220 PolarHBondContact O-N 3.39Å; L217-F221 WeakPolarHBondContact O-CD2 3.26Å; L217-F221 PolarHBondContact O-N 3.03Å; L217-I244 HydrophobicContact CD1-CD1 4.22Å; L217-I244 HydrophobicContact CD1-CG2 3.94Å; L217-I244 HydrophobicContact CD2-CD1 3.99Å; L217-I244 HydrophobicContact CD2-CG1 4.15Å; L217-M248 HydrophobicContact CD1-CG 3.6Å; L217-L252 HydrophobicContact CB-CD1 3.73Å; L217-L252 HydrophobicContact CB-CD2 4.45Å; L217-L252 HydrophobicContact CD1-CD1 3.89Å; L217-L252 HydrophobicContact CG-CD1 4.36Å |
| 218 | Q | 91.1 | Very high | 92.3 | Very high | 105 Ų | 105 | 42.2 Ų | 42.2 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 169.6 | -74.7 | 173.6 | -36 | 0 | 0 | 111.6 | L214 F221 A222 L252 | L214-Q218 HydrophobicContact CD1-CG 4.15Å; L214-Q218 HydrophobicContact CG-CG 4.48Å; L214-Q218 WeakPolarHBondContact O-CB 3.42Å; L214-Q218 WeakPolarHBondContact O-CG 3.32Å; L214-Q218 PolarHBondContact O-N 2.85Å; Q218-F221 PolarHBondContact O-N 2.88Å; Q218-A222 WeakPolarHBondContact O-CB 3.38Å; Q218-A222 PolarHBondContact O-N 3.21Å; Q218-L252 HydrophobicContact CG-CD2 4.49Å |
| 219 | E | 94.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 175.4 | -165.4 | 67.3 | -125.2 | 0 | 0 | 112.8 | Q169 V172 R173 P215 S216 L217 F221 A222 S223 | Q169-E219 HydrophobicContact CB-CG 4.24Å; Q169-E219 HydrophobicContact CG-CB 4.34Å; V172-E219 HydrophobicContact CB-CB 4.28Å; V172-E219 HydrophobicContact CB-CG 4.06Å; V172-E219 HydrophobicContact CG1-CB 3.96Å; V172-E219 HydrophobicContact CG1-CG 3.85Å; R173-E219 HydrophobicContact CG-CG 3.98Å; R173-E219 IonicContact CZ-OE1 3.53Å; R173-E219 IonicContact CZ-OE2 2.69Å; R173-E219 IonicContact NE-OE1 2.69Å; R173-E219 PolarHBondContact NE-OE1 2.82Å; R173-E219 IonicContact NE-OE2 2.9Å; R173-E219 PolarHBondContact NE-OE2 2.88Å; R173-E219 VanDerWaalsContact NH2-CD 3.27Å; R173-E219 IonicContact NH2-OE1 3.78Å; R173-E219 PolarHBondContact NH2-OE1 3.37Å; R173-E219 VanDerWaalsContact NH2-OE1 3.09Å; R173-E219 IonicContact NH2-OE2 3.93Å; R173-E219 PolarHBondContact NH2-OE2 3.27Å; P215-E219 PolarHBondContact O-N 3.46Å; P215-E219 VanDerWaalsContact O-N 3.09Å; S216-E219 WeakPolarHBondContact O-CB 3.41Å; S216-E219 PolarHBondContact O-N 3.32Å; L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 2.89Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 2.75Å; E219-A222 PolarHBondContact O-N 3.3Å; E219-S223 WeakPolarHBondContact O-CB 3.17Å; E219-S223 PolarHBondContact O-N 2.99Å; E219-S223 PolarHBondContact O-OG 3.38Å |
| 220 | V | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 170 | 177 | 0 | 0 | 0 | 0 | 110.1 | V172 S216 L217 S223 I224 L237 L240 V241 W277 | V172-V220 HydrophobicContact CG1-CB 4.41Å; V172-V220 HydrophobicContact CG1-CG2 3.58Å; V172-V220 HydrophobicContact CG2-CG2 4.32Å; S216-V220 PolarHBondContact O-N 3.01Å; L217-V220 PolarHBondContact O-N 3.39Å; V220-S223 WeakPolarHBondContact O-CB 3.22Å; V220-S223 PolarHBondContact O-N 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.27Å; V220-I224 PolarHBondContact O-N 2.88Å; V220-I224 VanDerWaalsContact O-N 3.08Å; V220-L237 HydrophobicContact CG2-CD2 4.49Å; V220-L240 HydrophobicContact CG2-CD1 3.97Å; V220-V241 HydrophobicContact CG1-CG1 4.44Å; V220-W277 HydrophobicContact CG1-CH2 3.76Å; V220-W277 HydrophobicContact CG1-CZ2 3.84Å |
| 221 | F | 90.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 178.6 | -91.5 | -112.6 | 0 | 0 | 0 | 112.7 | L217 Q218 E219 S223 I224 S225 L252 I253 L256 M274 W289 | L217-F221 WeakPolarHBondContact O-CD2 3.26Å; L217-F221 PolarHBondContact O-N 3.03Å; Q218-F221 PolarHBondContact O-N 2.88Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 2.75Å; F221-S223 VanDerWaalsContact C-N 3.32Å; F221-S223 PolarHBondContact O-N 2.69Å; F221-I224 WeakPolarHBondContact O-CG1 3.37Å; F221-I224 PolarHBondContact O-N 3.4Å; F221-S225 VanDerWaalsContact O-CB 3.27Å; F221-S225 WeakPolarHBondContact O-CB 3.28Å; F221-S225 PolarHBondContact O-N 2.82Å; F221-S225 PolarHBondContact O-OG 3.27Å; F221-L252 HydrophobicContact CD1-CB 4.45Å; F221-L252 HydrophobicContact CD2-CB 4.44Å; F221-L252 HydrophobicContact CD2-CD1 4.4Å; F221-L252 HydrophobicContact CE1-CB 3.92Å; F221-L252 HydrophobicContact CE2-CB 3.92Å; F221-L252 HydrophobicContact CE2-CD1 4.02Å; F221-L252 HydrophobicContact CE2-CG 4.45Å; F221-L252 HydrophobicContact CZ-CB 3.63Å; F221-I253 HydrophobicContact CE1-CD1 4.14Å; F221-I253 HydrophobicContact CZ-CD1 3.98Å; F221-L256 HydrophobicContact CD1-CB 4.34Å; F221-L256 HydrophobicContact CD1-CD2 4.22Å; F221-L256 HydrophobicContact CE1-CB 4.26Å; F221-L256 HydrophobicContact CE1-CD2 4.02Å; F221-M274 HydrophobicContact CE1-CE 3.9Å; F221-M274 HydrophobicContact CE2-CE 4.19Å; F221-M274 HydrophobicContact CZ-CE 3.57Å; F221-W289 HydrophobicContact CE2-CE3 4.19Å; F221-W289 HydrophobicContact CE2-CH2 4.23Å; F221-W289 AromaticContact CE2-CZ3 3.5Å; F221-W289 HydrophobicContact CE2-CZ3 3.5Å; F221-W289 HydrophobicContact CZ-CE3 4.09Å; F221-W289 AromaticContact CZ-CZ3 3.67Å; F221-W289 HydrophobicContact CZ-CZ3 3.67Å |
| 222 | A | 90.9 | Very high | 91.5 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q218 E219 S226 | Q218-A222 WeakPolarHBondContact O-CB 3.38Å; Q218-A222 PolarHBondContact O-N 3.21Å; E219-A222 PolarHBondContact O-N 3.3Å; A222-S226 PolarHBondContact O-N 3.19Å |
| 223 | S | 92.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | E219 V220 F221 S226 | E219-S223 WeakPolarHBondContact O-CB 3.17Å; E219-S223 PolarHBondContact O-N 2.99Å; E219-S223 PolarHBondContact O-OG 3.38Å; V220-S223 WeakPolarHBondContact O-CB 3.22Å; V220-S223 PolarHBondContact O-N 3.3Å; F221-S223 VanDerWaalsContact C-N 3.32Å; F221-S223 PolarHBondContact O-N 2.69Å; S223-S226 WeakPolarHBondContact O-CB 3.41Å |
| 224 | I | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.6 | -28.8 | -176.9 | 64.9 | -172.9 | 0 | 0 | 0 | 114.2 | V220 F221 S226 L237 Q269 A270 R273 M274 W277 | V220-I224 WeakPolarHBondContact O-CG1 3.27Å; V220-I224 PolarHBondContact O-N 2.88Å; V220-I224 VanDerWaalsContact O-N 3.08Å; F221-I224 WeakPolarHBondContact O-CG1 3.37Å; F221-I224 PolarHBondContact O-N 3.4Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-L237 HydrophobicContact CG2-CD1 4.32Å; I224-Q269 CarbonylContact O-C 3.54Å; I224-A270 HydrophobicContact CG1-CB 4.19Å; I224-A270 PolarHBondContact O-N 3.27Å; I224-R273 HydrophobicContact CB-CB 4.08Å; I224-R273 HydrophobicContact CG2-CB 4.1Å; I224-R273 VanDerWaalsContact O-CD 3.24Å; I224-R273 WeakPolarHBondContact O-CD 3.43Å; I224-R273 PolarHBondContact O-NH1 3.49Å; I224-M274 HydrophobicContact CD1-CE 3.48Å; I224-M274 VanDerWaalsContact CD1-CE 3.48Å; I224-M274 HydrophobicContact CD1-CG 4.05Å; I224-W277 HydrophobicContact CD1-CH2 3.88Å; I224-W277 HydrophobicContact CD1-CZ2 4.09Å; I224-W277 HydrophobicContact CG2-CH2 4.43Å; I224-W277 HydrophobicContact CG2-CZ2 3.61Å |
| 225 | S | 91.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -86.2 | -0.9 | 178.5 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | F221 S266 | F221-S225 VanDerWaalsContact O-CB 3.27Å; F221-S225 WeakPolarHBondContact O-CB 3.28Å; F221-S225 PolarHBondContact O-N 2.82Å; F221-S225 PolarHBondContact O-OG 3.27Å; S225-S266 WeakPolarHBondContact O-CA 3.39Å; S225-S266 WeakPolarHBondContact O-CB 3.21Å; S225-S266 PolarHBondContact O-OG 2.98Å |
| 226 | S | 93 | Very high | 91.9 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | trans | -58 | 135.7 | 173.4 | -179 | 0 | 0 | 0 | 0 | 111.5 | A222 S223 I224 D228 R273 | A222-S226 PolarHBondContact O-N 3.19Å; S223-S226 WeakPolarHBondContact O-CB 3.41Å; I224-S226 VanDerWaalsContact C-N 3.33Å; S226-D228 WeakPolarHBondContact OG-CB 3.39Å; S226-D228 PolarHBondContact OG-N 3.07Å; S226-R273 PolarHBondContact O-NH1 2.8Å | ||
| 227 | T | 90 | Very high | 92 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | trans | -105.9 | 22.3 | 172.7 | 65.3 | 0 | 0 | 0 | 0 | 112 | A229 A265 S266 Q269 | T227-A229 PolarHBondContact O-N 2.75Å; T227-A265 HydrophobicContact CG2-CB 3.9Å; T227-S266 WeakPolarHBondContact CG2-OG 3.46Å; T227-Q269 HydrophobicContact CG2-CG 4.38Å | ||
| 228 | D | 90.7 | Very high | 92 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | trans | -75.4 | 119.2 | 173.9 | -166.2 | -30.2 | 0 | 0 | 0 | 109.6 | S226 S230 | S226-D228 WeakPolarHBondContact OG-CB 3.39Å; S226-D228 PolarHBondContact OG-N 3.07Å; D228-S230 VanDerWaalsContact C-N 3.26Å; D228-S230 PolarHBondContact O-N 2.82Å; D228-S230 WeakPolarHBondContact OD1-CB 3.36Å; D228-S230 PolarHBondContact OD1-N 3.38Å; D228-S230 PolarHBondContact OD1-OG 2.86Å | ||
| 229 | A | 83.4 | Confident | 92.2 | Very high | 112 Ų | 112 | 38 Ų | 38 | 93% | 0.926 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T227 | T227-A229 PolarHBondContact O-N 2.75Š|
| 230 | S | 88 | Confident | 92.1 | Very high | 107 Ų | 107 | 37 Ų | 37 | 75% | 0.748 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -11 | 177.9 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | D228 | D228-S230 VanDerWaalsContact C-N 3.26Å; D228-S230 PolarHBondContact O-N 2.82Å; D228-S230 WeakPolarHBondContact OD1-CB 3.36Å; D228-S230 PolarHBondContact OD1-N 3.38Å; D228-S230 PolarHBondContact OD1-OG 2.86Å |
| 231 | F | 89.5 | Confident | 92 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | trans | -136 | 112.4 | -176.2 | 173.2 | -106.3 | 0 | 0 | 0 | 112.1 | H177 P233 | H177-F231 AromaticContact CD2-CE2 3.97Å; H177-F231 AromaticContact CE1-CE2 3.37Å; H177-F231 WeakPolarHBondContact CE1-CE2 3.46Å; H177-F231 AromaticContact CE1-CZ 3.65Å; H177-F231 AromaticContact CG-CE2 3.99Å; H177-F231 AromaticContact ND1-CE2 3.64Å; H177-F231 AromaticContact ND1-CZ 3.83Å; H177-F231 AromaticContact NE2-CE2 3.63Å; F231-P233 HydrophobicContact CE1-CB 3.89Å; F231-P233 HydrophobicContact CZ-CB 4Å | ||
| 232 | E | 90.1 | Very high | 91.9 | Very high | 117 Ų | 117 | 37.3 Ų | 37.3 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -101.1 | 117.2 | 170.5 | -172.1 | 56.2 | -142.1 | 0 | 0 | 110.1 | R273 | E232-R273 WeakPolarHBondContact OE1-CG 3.48Å; E232-R273 IonicContact OE1-CZ 3.64Å; E232-R273 IonicContact OE1-NE 3.38Å; E232-R273 PolarHBondContact OE1-NE 2.84Å; E232-R273 IonicContact OE1-NH2 3.69Å; E232-R273 IonicContact OE2-CZ 3.8Å; E232-R273 IonicContact OE2-NE 3.47Å; E232-R273 PolarHBondContact OE2-NE 3.46Å; E232-R273 IonicContact OE2-NH2 2.78Å; E232-R273 PolarHBondContact OE2-NH2 3.03Å |
| 233 | P | 94.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 134.7 | -178.6 | 30.2 | -36.4 | 0 | 0 | 0 | 112.1 | G176 F231 L237 R273 | G176-P233 WeakPolarHBondContact O-CA 3.4Å; F231-P233 HydrophobicContact CE1-CB 3.89Å; F231-P233 HydrophobicContact CZ-CB 4Å; P233-L237 HydrophobicContact CB-CD1 4.02Å; P233-R273 VanDerWaalsContact CD-CZ 3.41Å; P233-R273 HydrophobicContact CG-CG 4.48Å |
| 234 | S | 95.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 140 | -178.6 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | G176 F178 A236 L237 | G176-S234 PolarHBondContact O-N 3.15Å; F178-S234 WeakPolarHBondContact O-CB 3.41Å; F178-S234 PolarHBondContact O-OG 2.71Å; S234-A236 PolarHBondContact O-N 3.25Å; S234-A236 VanDerWaalsContact OG-CB 3.26Å; S234-A236 WeakPolarHBondContact OG-CB 2.89Å; S234-A236 PolarHBondContact OG-N 3.09Å; S234-L237 WeakPolarHBondContact O-CG 3.25Å; S234-L237 PolarHBondContact O-N 3.2Å; S234-L237 VanDerWaalsContact O-N 3.1Å |
| 235 | V | 94.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 30% | 0.303 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -60.3 | -11.2 | 167 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | L237 A238 D276 W280 | V235-L237 PolarHBondContact O-N 3.39Å; V235-A238 WeakPolarHBondContact O-CB 3.37Å; V235-A238 PolarHBondContact O-N 2.68Å; V235-D276 HydrophobicContact CG1-CB 4.16Å; V235-W280 HydrophobicContact CG2-CE3 4.4Å |
| 236 | A | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -54.9 | -26.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I175 F178 V195 S234 A238 S239 W280 | I175-A236 HydrophobicContact CG2-CB 3.91Å; F178-A236 HydrophobicContact CB-CB 4.02Å; F178-A236 HydrophobicContact CD2-CB 4.29Å; V195-A236 HydrophobicContact CG1-CB 3.91Å; V195-A236 HydrophobicContact CG2-CB 4.38Å; S234-A236 PolarHBondContact O-N 3.25Å; S234-A236 VanDerWaalsContact OG-CB 3.26Å; S234-A236 WeakPolarHBondContact OG-CB 2.89Å; S234-A236 PolarHBondContact OG-N 3.09Å; A236-A238 PolarHBondContact O-N 2.88Å; A236-S239 VanDerWaalsContact O-CB 3.28Å; A236-S239 WeakPolarHBondContact O-CB 3.35Å; A236-S239 PolarHBondContact O-N 2.81Å; A236-S239 PolarHBondContact O-OG 3.36Å; A236-W280 HydrophobicContact CB-CZ3 4.24Å |
| 237 | L | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -58.1 | -25.8 | 172.3 | -69 | 173.2 | 0 | 0 | 0 | 112.9 | V172 I175 V220 I224 P233 S234 V235 S239 L240 W277 | V172-L237 HydrophobicContact CG1-CD2 4.09Å; I175-L237 HydrophobicContact CB-CD2 4.2Å; I175-L237 HydrophobicContact CG2-CD2 3.96Å; I175-L237 HydrophobicContact CG2-CG 4.46Å; V220-L237 HydrophobicContact CG2-CD2 4.49Å; I224-L237 HydrophobicContact CG2-CD1 4.32Å; P233-L237 HydrophobicContact CB-CD1 4.02Å; S234-L237 WeakPolarHBondContact O-CG 3.25Å; S234-L237 PolarHBondContact O-N 3.2Å; S234-L237 VanDerWaalsContact O-N 3.1Å; V235-L237 PolarHBondContact O-N 3.39Å; L237-S239 PolarHBondContact O-N 3.02Å; L237-L240 HydrophobicContact CD2-CD1 4.14Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 2.59Å; L237-L240 VanDerWaalsContact O-N 3.07Å; L237-W277 HydrophobicContact CB-CZ2 4.04Å |
| 238 | A | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -57.9 | -28.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V235 A236 L240 V241 Q242 W277 W280 | V235-A238 WeakPolarHBondContact O-CB 3.37Å; V235-A238 PolarHBondContact O-N 2.68Å; A236-A238 PolarHBondContact O-N 2.88Å; A238-L240 PolarHBondContact O-N 2.88Å; A238-V241 WeakPolarHBondContact O-CG2 3.39Å; A238-V241 PolarHBondContact O-N 2.87Å; A238-Q242 PolarHBondContact O-NE2 3.27Å; A238-W277 HydrophobicContact CB-CB 3.7Å; A238-W277 HydrophobicContact CB-CD2 4.26Å; A238-W277 HydrophobicContact CB-CG 3.71Å; A238-W280 HydrophobicContact CB-CB 3.54Å; A238-W280 HydrophobicContact CB-CG 3.79Å |
| 239 | S | 94.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -64.7 | -20 | 177.6 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | S199 A236 L237 | S199-S239 PolarHBondContact OG-O 3.32Å; A236-S239 VanDerWaalsContact O-CB 3.28Å; A236-S239 WeakPolarHBondContact O-CB 3.35Å; A236-S239 PolarHBondContact O-N 2.81Å; A236-S239 PolarHBondContact O-OG 3.36Å; L237-S239 PolarHBondContact O-N 3.02Å |
| 240 | L | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -85.2 | -28.3 | -179.1 | -64.9 | -178.6 | 0 | 0 | 0 | 113.2 | V172 I175 L202 W206 V220 L237 A238 | V172-L240 HydrophobicContact CG2-CD1 4.08Å; I175-L240 HydrophobicContact CD1-CD1 3.95Å; I175-L240 HydrophobicContact CD1-CD2 3.9Å; I175-L240 HydrophobicContact CD1-CG 4.23Å; L202-L240 HydrophobicContact CB-CD2 4.46Å; L202-L240 HydrophobicContact CD2-CD1 4.2Å; L202-L240 HydrophobicContact CD2-CD2 3.79Å; W206-L240 HydrophobicContact CH2-CB 4.19Å; W206-L240 HydrophobicContact CH2-CD2 4.35Å; V220-L240 HydrophobicContact CG2-CD1 3.97Å; L237-L240 HydrophobicContact CD2-CD1 4.14Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 2.59Å; L237-L240 VanDerWaalsContact O-N 3.07Å; A238-L240 PolarHBondContact O-N 2.88Å |
| 241 | V | 91.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -96.4 | -1.5 | -163.5 | -59.7 | 0 | 0 | 0 | 0 | 114.6 | V220 A238 H243 W277 W289 | V220-V241 HydrophobicContact CG1-CG1 4.44Å; A238-V241 WeakPolarHBondContact O-CG2 3.39Å; A238-V241 PolarHBondContact O-N 2.87Å; V241-H243 VanDerWaalsContact C-N 3.32Å; V241-H243 PolarHBondContact O-N 3.01Å; V241-W277 HydrophobicContact CB-CZ3 4.32Å; V241-W277 HydrophobicContact CG1-CH2 3.87Å; V241-W277 HydrophobicContact CG1-CZ3 3.93Å; V241-W277 HydrophobicContact CG2-CE3 3.89Å; V241-W277 HydrophobicContact CG2-CH2 4.43Å; V241-W277 HydrophobicContact CG2-CZ3 3.76Å; V241-W289 HydrophobicContact CB-CZ2 3.75Å; V241-W289 HydrophobicContact CG1-CZ2 4.04Å; V241-W289 PolarHBondContact O-NE1 2.87Å |
| 242 | Q | 88.4 | Confident | 91 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.7 | -175.1 | -56.2 | -53.8 | -54.2 | 0 | 0 | 114.2 | A238 H285 V286 | A238-Q242 PolarHBondContact O-NE2 3.27Å; Q242-H285 PolarHBondContact O-CD2 3.14Å; Q242-V286 VanDerWaalsContact NE2-CG2 3.31Å |
| 243 | H | 87.6 | Confident | 90.9 | Very high | 132 Ų | 132 | 40 Ų | 40 | 61% | 0.611 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | 26.1 | -171 | -58.3 | -34.5 | 0 | 0 | 0 | 113.4 | V241 | V241-H243 VanDerWaalsContact C-N 3.32Å; V241-H243 PolarHBondContact O-N 3.01Å |
| 244 | I | 90.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | trans | -87.5 | 132.8 | -178.8 | -57.2 | -55 | 0 | 0 | 0 | 110.7 | W206 L213 L217 L246 M248 I249 W289 | W206-I244 HydrophobicContact CE3-CD1 4.29Å; W206-I244 HydrophobicContact CH2-CD1 4.28Å; W206-I244 HydrophobicContact CZ3-CD1 3.66Å; L213-I244 HydrophobicContact CD1-CD1 4.19Å; L217-I244 HydrophobicContact CD1-CD1 4.22Å; L217-I244 HydrophobicContact CD1-CG2 3.94Å; L217-I244 HydrophobicContact CD2-CD1 3.99Å; L217-I244 HydrophobicContact CD2-CG1 4.15Å; I244-L246 PolarHBondContact O-N 3.32Å; I244-M248 HydrophobicContact CG2-CB 3.93Å; I244-M248 HydrophobicContact CG2-CG 4.12Å; I244-I249 HydrophobicContact CG2-CG1 4.13Å; I244-W289 HydrophobicContact CB-CH2 4.4Å; I244-W289 HydrophobicContact CB-CZ2 3.72Å; I244-W289 HydrophobicContact CG1-CZ2 3.86Å; I244-W289 HydrophobicContact CG2-CH2 4.05Å; I244-W289 HydrophobicContact CG2-CZ2 3.86Å | ||
| 245 | P | 89.6 | Confident | 90.3 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | trans | -60 | 136.3 | 178.4 | -25.7 | 34.9 | 0 | 0 | 0 | 113.4 | Q247 M248 I249 | P245-Q247 PolarHBondContact O-N 3.45Å; P245-M248 WeakPolarHBondContact O-CA 3.26Å; P245-M248 WeakPolarHBondContact O-CB 3.47Å; P245-M248 PolarHBondContact O-N 2.75Å; P245-I249 PolarHBondContact O-N 2.9Å | ||
| 246 | L | 87.8 | Confident | 89.9 | Confident | 118 Ų | 118 | 47.4 Ų | 47.4 | 62% | 0.618 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -53.5 | -30.5 | -177.8 | -58.1 | -179.6 | 0 | 0 | 0 | 114.3 | I244 I249 T250 T288 | I244-L246 PolarHBondContact O-N 3.32Å; L246-I249 HydrophobicContact CD2-CD1 4.13Å; L246-I249 PolarHBondContact O-N 2.76Å; L246-T250 WeakPolarHBondContact O-CB 3.48Å; L246-T250 PolarHBondContact O-N 2.97Å; L246-T250 PolarHBondContact O-OG1 3.45Å; L246-T288 HydrophobicContact CD2-CG2 3.59Å |
| 247 | Q | 87.8 | Confident | 89.5 | Confident | 165 Ų | 165 | 48.2 Ų | 48.2 | 77% | 0.771 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 174.6 | -66.1 | 180 | -5.3 | 0 | 0 | 111.8 | P245 T250 V251 | P245-Q247 PolarHBondContact O-N 3.45Å; Q247-T250 WeakPolarHBondContact O-CB 3.33Å; Q247-T250 PolarHBondContact O-N 3.45Å; Q247-V251 WeakPolarHBondContact O-CG2 3.42Å; Q247-V251 PolarHBondContact O-N 3.39Å |
| 248 | M | 87.5 | Confident | 89.2 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 177.9 | -169.6 | 63 | 71.4 | 0 | 0 | 111.1 | L213 L214 L217 I244 P245 T250 V251 L252 | L213-M248 HydrophobicContact CD2-CE 4.47Å; L214-M248 HydrophobicContact CD1-SD 4Å; L217-M248 HydrophobicContact CD1-CG 3.6Å; I244-M248 HydrophobicContact CG2-CB 3.93Å; I244-M248 HydrophobicContact CG2-CG 4.12Å; P245-M248 WeakPolarHBondContact O-CA 3.26Å; P245-M248 WeakPolarHBondContact O-CB 3.47Å; P245-M248 PolarHBondContact O-N 2.75Å; M248-T250 VanDerWaalsContact C-N 3.3Å; M248-T250 PolarHBondContact O-N 3.3Å; M248-V251 PolarHBondContact O-N 3.36Å; M248-L252 HydrophobicContact CG-CD1 3.97Å; M248-L252 WeakPolarHBondContact O-CG 3.42Å; M248-L252 PolarHBondContact O-N 3.01Å |
| 249 | I | 89.6 | Confident | 88.9 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.3 | -49.9 | 170.4 | -55.5 | -174.8 | 0 | 0 | 0 | 109.8 | I244 P245 L246 V251 L252 I253 T288 W289 A292 | I244-I249 HydrophobicContact CG2-CG1 4.13Å; P245-I249 PolarHBondContact O-N 2.9Å; L246-I249 HydrophobicContact CD2-CD1 4.13Å; L246-I249 PolarHBondContact O-N 2.76Å; I249-V251 VanDerWaalsContact C-N 3.33Å; I249-V251 PolarHBondContact O-N 2.75Å; I249-L252 PolarHBondContact O-N 3.3Å; I249-I253 HydrophobicContact CG2-CG1 4.07Å; I249-I253 WeakPolarHBondContact O-CB 3.5Å; I249-I253 VanDerWaalsContact O-CG1 3.27Å; I249-I253 WeakPolarHBondContact O-CG1 3.48Å; I249-I253 PolarHBondContact O-N 3Å; I249-T288 HydrophobicContact CD1-CG2 3.91Å; I249-W289 HydrophobicContact CB-CE3 4.36Å; I249-W289 HydrophobicContact CB-CH2 4.43Å; I249-W289 HydrophobicContact CB-CZ3 4.22Å; I249-W289 HydrophobicContact CD1-CD2 4.04Å; I249-W289 HydrophobicContact CD1-CG 4.43Å; I249-W289 HydrophobicContact CD1-CZ2 3.98Å; I249-W289 HydrophobicContact CG1-CD2 4.11Å; I249-W289 HydrophobicContact CG1-CE3 4.22Å; I249-W289 HydrophobicContact CG1-CH2 3.79Å; I249-W289 HydrophobicContact CG1-CZ2 3.65Å; I249-W289 HydrophobicContact CG1-CZ3 4.03Å; I249-W289 HydrophobicContact CG2-CD2 3.98Å; I249-W289 HydrophobicContact CG2-CE3 3.7Å; I249-W289 HydrophobicContact CG2-CZ3 4.01Å; I249-A292 HydrophobicContact CG2-CB 4.16Å |
| 250 | T | 87.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | -179 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | L246 Q247 M248 R254 | L246-T250 WeakPolarHBondContact O-CB 3.48Å; L246-T250 PolarHBondContact O-N 2.97Å; L246-T250 PolarHBondContact O-OG1 3.45Å; Q247-T250 WeakPolarHBondContact O-CB 3.33Å; Q247-T250 PolarHBondContact O-N 3.45Å; M248-T250 VanDerWaalsContact C-N 3.3Å; M248-T250 PolarHBondContact O-N 3.3Å; T250-R254 WeakPolarHBondContact O-CB 3.45Å; T250-R254 PolarHBondContact O-N 3.13Å; T250-R254 VanDerWaalsContact O-N 3.11Å |
| 251 | V | 88.6 | Confident | 88 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 176.4 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | Q247 M248 I249 R254 S255 | Q247-V251 WeakPolarHBondContact O-CG2 3.42Å; Q247-V251 PolarHBondContact O-N 3.39Å; M248-V251 PolarHBondContact O-N 3.36Å; I249-V251 VanDerWaalsContact C-N 3.33Å; I249-V251 PolarHBondContact O-N 2.75Å; V251-R254 PolarHBondContact O-N 2.97Å; V251-S255 WeakPolarHBondContact O-CB 3.32Å; V251-S255 PolarHBondContact O-N 3.17Å |
| 252 | L | 87.2 | Confident | 87.9 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | -178.1 | -68.8 | 164 | 0 | 0 | 0 | 112.1 | L214 L217 Q218 F221 M248 I249 R254 S255 L256 W289 | L214-L252 HydrophobicContact CD1-CD2 4.24Å; L217-L252 HydrophobicContact CB-CD1 3.73Å; L217-L252 HydrophobicContact CB-CD2 4.45Å; L217-L252 HydrophobicContact CD1-CD1 3.89Å; L217-L252 HydrophobicContact CG-CD1 4.36Å; Q218-L252 HydrophobicContact CG-CD2 4.49Å; F221-L252 HydrophobicContact CD1-CB 4.45Å; F221-L252 HydrophobicContact CD2-CB 4.44Å; F221-L252 HydrophobicContact CD2-CD1 4.4Å; F221-L252 HydrophobicContact CE1-CB 3.92Å; F221-L252 HydrophobicContact CE2-CB 3.92Å; F221-L252 HydrophobicContact CE2-CD1 4.02Å; F221-L252 HydrophobicContact CE2-CG 4.45Å; F221-L252 HydrophobicContact CZ-CB 3.63Å; M248-L252 HydrophobicContact CG-CD1 3.97Å; M248-L252 WeakPolarHBondContact O-CG 3.42Å; M248-L252 PolarHBondContact O-N 3.01Å; I249-L252 PolarHBondContact O-N 3.3Å; L252-R254 PolarHBondContact O-N 3.06Å; L252-S255 WeakPolarHBondContact O-CB 3.46Å; L252-S255 PolarHBondContact O-N 3.39Å; L252-L256 PolarHBondContact O-N 2.8Å; L252-W289 HydrophobicContact CD1-CH2 4.1Å; L252-W289 HydrophobicContact CD1-CZ3 4.21Å |
| 253 | I | 89.3 | Confident | 88 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.1 | -65.4 | -62.2 | 0 | 0 | 0 | 111 | F221 I249 L256 T257 M274 A292 L293 | F221-I253 HydrophobicContact CE1-CD1 4.14Å; F221-I253 HydrophobicContact CZ-CD1 3.98Å; I249-I253 HydrophobicContact CG2-CG1 4.07Å; I249-I253 WeakPolarHBondContact O-CB 3.5Å; I249-I253 VanDerWaalsContact O-CG1 3.27Å; I249-I253 WeakPolarHBondContact O-CG1 3.48Å; I249-I253 PolarHBondContact O-N 3Å; I253-L256 PolarHBondContact O-N 3.32Å; I253-T257 PolarHBondContact O-N 3.02Å; I253-T257 PolarHBondContact O-OG1 3.39Å; I253-M274 HydrophobicContact CD1-CE 3.91Å; I253-M274 HydrophobicContact CD1-SD 4.29Å; I253-A292 HydrophobicContact CG1-CB 4.15Å; I253-L293 HydrophobicContact CD1-CB 3.92Å; I253-L293 HydrophobicContact CD1-CD1 4.19Å; I253-L293 HydrophobicContact CD1-CG 4.48Å; I253-L293 HydrophobicContact CG2-CD1 4.33Å |
| 254 | R | 88.3 | Confident | 88.2 | Confident | 150 Ų | 150 | 72.1 Ų | 72.1 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 175 | -175.5 | 178.8 | -62.3 | 147.8 | 4.2 | 111.5 | T250 V251 L252 L256 T257 T258 | T250-R254 WeakPolarHBondContact O-CB 3.45Å; T250-R254 PolarHBondContact O-N 3.13Å; T250-R254 VanDerWaalsContact O-N 3.11Å; V251-R254 PolarHBondContact O-N 2.97Å; L252-R254 PolarHBondContact O-N 3.06Å; R254-L256 VanDerWaalsContact C-N 3.28Å; R254-L256 PolarHBondContact O-N 2.85Å; R254-T257 PolarHBondContact O-N 3.19Å; R254-T258 HydrophobicContact CG-CG2 4.13Å; R254-T258 WeakPolarHBondContact O-CB 3.36Å; R254-T258 PolarHBondContact O-N 2.7Å; R254-T258 PolarHBondContact O-OG1 3.32Å |
| 255 | S | 87.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 74 Ų | 74 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.7 | -159.7 | 0 | 0 | 0 | 0 | 111.4 | V251 L252 D259 | V251-S255 WeakPolarHBondContact O-CB 3.32Å; V251-S255 PolarHBondContact O-N 3.17Å; L252-S255 WeakPolarHBondContact O-CB 3.46Å; L252-S255 PolarHBondContact O-N 3.39Å; S255-D259 WeakPolarHBondContact O-CB 3.48Å; S255-D259 PolarHBondContact O-N 3.06Å |
| 256 | L | 85.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 179.1 | -177.4 | 66.2 | 0 | 0 | 0 | 113.2 | F221 L252 I253 R254 V262 M267 A270 L293 | F221-L256 HydrophobicContact CD1-CB 4.34Å; F221-L256 HydrophobicContact CD1-CD2 4.22Å; F221-L256 HydrophobicContact CE1-CB 4.26Å; F221-L256 HydrophobicContact CE1-CD2 4.02Å; L252-L256 PolarHBondContact O-N 2.8Å; I253-L256 PolarHBondContact O-N 3.32Å; R254-L256 VanDerWaalsContact C-N 3.28Å; R254-L256 PolarHBondContact O-N 2.85Å; L256-V262 HydrophobicContact CD1-CG1 3.97Å; L256-M267 HydrophobicContact CG-CG 4.47Å; L256-A270 HydrophobicContact CD2-CB 3.8Å; L256-L293 HydrophobicContact CD2-CD1 3.92Å; L256-L293 HydrophobicContact CD2-CD2 4.35Å |
| 257 | T | 88.1 | Confident | 88.6 | Confident | 17 Ų | 17 | 66 Ų | 66 | 10% | 0.104 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -94.1 | -15.3 | -175.3 | 65.9 | 0 | 0 | 0 | 0 | 115 | I253 R254 L293 L297 | I253-T257 PolarHBondContact O-N 3.02Å; I253-T257 PolarHBondContact O-OG1 3.39Å; R254-T257 PolarHBondContact O-N 3.19Å; T257-L293 HydrophobicContact CG2-CD1 3.82Å; T257-L297 HydrophobicContact CG2-CD2 3.96Å; T257-L297 HydrophobicContact CG2-CG 4.16Å |
| 258 | T | 89.3 | Confident | 88.9 | Confident | 87 Ų | 87 | 60 Ų | 60 | 53% | 0.534 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -115.2 | -6.1 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 115.4 | R254 P260 V300 | R254-T258 HydrophobicContact CG-CG2 4.13Å; R254-T258 WeakPolarHBondContact O-CB 3.36Å; R254-T258 PolarHBondContact O-N 2.7Å; R254-T258 PolarHBondContact O-OG1 3.32Å; T258-P260 WeakPolarHBondContact O-CD 3.44Å; T258-V300 HydrophobicContact CG2-CG1 4.2Å |
| 259 | D | 87.4 | Confident | 89.2 | Confident | 61 Ų | 61 | 61 Ų | 61 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | trans | -75.9 | 118.8 | 172.8 | -176.7 | -20.2 | 0 | 0 | 0 | 110.3 | S255 N261 V262 | S255-D259 WeakPolarHBondContact O-CB 3.48Å; S255-D259 PolarHBondContact O-N 3.06Å; D259-N261 PolarHBondContact O-N 2.77Å; D259-N261 VanDerWaalsContact O-N 3.11Å; D259-N261 WeakPolarHBondContact OD1-CB 3.36Å; D259-N261 PolarHBondContact OD1-N 2.91Å; D259-N261 PolarHBondContact OD1-ND2 2.67Å; D259-V262 HydrophobicContact CB-CG2 3.96Å; D259-V262 PolarHBondContact O-N 3.08Å; D259-V262 VanDerWaalsContact O-N 3.15Å | ||
| 260 | P | 83 | Confident | 89.4 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 81% | 0.812 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.6 | -177.4 | 30 | -37.4 | 0 | 0 | 0 | 114.3 | T258 | T258-P260 WeakPolarHBondContact O-CD 3.44Š|
| 261 | N | 86.9 | Confident | 89.8 | Confident | 136 Ų | 136 | 57.5 Ų | 57.5 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.6 | 176.3 | -56.2 | -80.1 | 0 | 0 | 0 | 112.7 | D259 | D259-N261 PolarHBondContact O-N 2.77Å; D259-N261 VanDerWaalsContact O-N 3.11Å; D259-N261 WeakPolarHBondContact OD1-CB 3.36Å; D259-N261 PolarHBondContact OD1-N 2.91Å; D259-N261 PolarHBondContact OD1-ND2 2.67Å |
| 262 | V | 89.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 54 Ų | 54 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -79.3 | 123.5 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 110 | L256 D259 M267 | L256-V262 HydrophobicContact CD1-CG1 3.97Å; D259-V262 HydrophobicContact CB-CG2 3.96Å; D259-V262 PolarHBondContact O-N 3.08Å; D259-V262 VanDerWaalsContact O-N 3.15Å; V262-M267 HydrophobicContact CG1-CG 3.79Å |
| 263 | K | 90.4 | Very high | 90.4 | Very high | 149 Ų | 149 | 53.9 Ų | 53.9 | 65% | 0.648 | 30% | 0.296 | S | S | * | . | trans | -78.7 | 150 | 177.7 | -64.7 | -179.4 | -178.8 | 177.1 | 0 | 111.6 | A265 S266 M267 | K263-A265 VanDerWaalsContact C-N 3.26Å; K263-A265 PolarHBondContact O-N 2.85Å; K263-S266 WeakPolarHBondContact O-CA 3.45Å; K263-S266 VanDerWaalsContact O-CB 3.32Å; K263-S266 WeakPolarHBondContact O-CB 3.41Å; K263-S266 PolarHBondContact O-N 3.29Å; K263-M267 PolarHBondContact O-N 3.44Å; K263-M267 VanDerWaalsContact O-N 3.15Å | ||
| 264 | D | 91.1 | Very high | 90.7 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.6 | -41.9 | 175.2 | -72.4 | 30.6 | 0 | 0 | 0 | 112.3 | S266 M267 T268 K302 I305 | D264-S266 VanDerWaalsContact C-N 3.3Å; D264-S266 PolarHBondContact O-N 3.47Å; D264-M267 WeakPolarHBondContact O-CB 3.27Å; D264-M267 PolarHBondContact O-N 3.13Å; D264-M267 VanDerWaalsContact O-N 3.1Å; D264-M267 WeakPolarHBondContact OD1-CE 3.5Å; D264-T268 PolarHBondContact O-N 3.44Å; D264-T268 PolarHBondContact O-OG1 3.38Å; D264-K302 IonicContact OD1-NZ 3.05Å; D264-K302 PolarHBondContact OD1-NZ 3.11Å; D264-K302 WeakPolarHBondContact OD2-CD 3.45Å; D264-K302 IonicContact OD2-NZ 3.01Å; D264-K302 PolarHBondContact OD2-NZ 2.81Å; D264-I305 HydrophobicContact CB-CD1 3.94Å |
| 265 | A | 90.7 | Very high | 91.1 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T227 K263 T268 Q269 | T227-A265 HydrophobicContact CG2-CB 3.9Å; K263-A265 VanDerWaalsContact C-N 3.26Å; K263-A265 PolarHBondContact O-N 2.85Å; A265-T268 PolarHBondContact O-N 3.23Å; A265-Q269 WeakPolarHBondContact O-CG 3.32Å; A265-Q269 PolarHBondContact O-N 3.05Å |
| 266 | S | 92.8 | Very high | 91.4 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 175.8 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | S225 T227 K263 D264 A270 | S225-S266 WeakPolarHBondContact O-CA 3.39Å; S225-S266 WeakPolarHBondContact O-CB 3.21Å; S225-S266 PolarHBondContact O-OG 2.98Å; T227-S266 WeakPolarHBondContact CG2-OG 3.46Å; K263-S266 WeakPolarHBondContact O-CA 3.45Å; K263-S266 VanDerWaalsContact O-CB 3.32Å; K263-S266 WeakPolarHBondContact O-CB 3.41Å; K263-S266 PolarHBondContact O-N 3.29Å; D264-S266 VanDerWaalsContact C-N 3.3Å; D264-S266 PolarHBondContact O-N 3.47Å; S266-A270 VanDerWaalsContact O-CB 3.32Å; S266-A270 WeakPolarHBondContact O-CB 3.35Å; S266-A270 PolarHBondContact O-N 3.16Å |
| 267 | M | 92.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -41 | 171.6 | -73.5 | -174.6 | -79 | 0 | 0 | 111.8 | L256 V262 K263 D264 A270 L271 L297 K302 I305 | L256-M267 HydrophobicContact CG-CG 4.47Å; V262-M267 HydrophobicContact CG1-CG 3.79Å; K263-M267 PolarHBondContact O-N 3.44Å; K263-M267 VanDerWaalsContact O-N 3.15Å; D264-M267 WeakPolarHBondContact O-CB 3.27Å; D264-M267 PolarHBondContact O-N 3.13Å; D264-M267 VanDerWaalsContact O-N 3.1Å; D264-M267 WeakPolarHBondContact OD1-CE 3.5Å; M267-A270 PolarHBondContact O-N 2.97Å; M267-L271 WeakPolarHBondContact O-CB 3.45Å; M267-L271 PolarHBondContact O-N 3.25Å; M267-L297 HydrophobicContact CB-CD2 4.04Å; M267-L297 HydrophobicContact CG-CD2 4.22Å; M267-L297 HydrophobicContact SD-CD2 3.61Å; M267-K302 HydrophobicContact CE-CD 4.2Å; M267-K302 HydrophobicContact CE-CG 4.47Å; M267-I305 HydrophobicContact CB-CD1 4.12Å |
| 268 | T | 93.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | D264 A265 A270 L271 C272 I305 V309 | D264-T268 PolarHBondContact O-N 3.44Å; D264-T268 PolarHBondContact O-OG1 3.38Å; A265-T268 PolarHBondContact O-N 3.23Å; T268-A270 PolarHBondContact O-N 2.61Å; T268-L271 PolarHBondContact O-N 3.09Å; T268-C272 PolarHBondContact O-N 2.84Å; T268-C272 PolarHBondContact O-SG 2.71Å; T268-C272 VanDerWaalsContact O-SG 3.41Å; T268-I305 HydrophobicContact CG2-CG2 4.47Å; T268-I305 WeakPolarHBondContact OG1-CG2 3.44Å; T268-V309 HydrophobicContact CG2-CG2 3.63Å |
| 269 | Q | 93.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 41 Ų | 41 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 179.7 | -72 | -63 | -11.3 | 0 | 0 | 112.5 | I224 T227 A265 L271 C272 R273 | I224-Q269 CarbonylContact O-C 3.54Å; T227-Q269 HydrophobicContact CG2-CG 4.38Å; A265-Q269 WeakPolarHBondContact O-CG 3.32Å; A265-Q269 PolarHBondContact O-N 3.05Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; Q269-L271 PolarHBondContact O-N 3.17Å; Q269-C272 PolarHBondContact O-N 2.58Å; Q269-R273 WeakPolarHBondContact O-CB 3.48Å; Q269-R273 WeakPolarHBondContact O-CD 3.41Å; Q269-R273 WeakPolarHBondContact O-CG 3.44Å; Q269-R273 PolarHBondContact O-N 2.82Å |
| 270 | A | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I224 L256 S266 M267 T268 M274 L293 | I224-A270 HydrophobicContact CG1-CB 4.19Å; I224-A270 PolarHBondContact O-N 3.27Å; L256-A270 HydrophobicContact CD2-CB 3.8Å; S266-A270 VanDerWaalsContact O-CB 3.32Å; S266-A270 WeakPolarHBondContact O-CB 3.35Å; S266-A270 PolarHBondContact O-N 3.16Å; M267-A270 PolarHBondContact O-N 2.97Å; T268-A270 PolarHBondContact O-N 2.61Å; A270-M274 WeakPolarHBondContact O-CB 3.46Å; A270-M274 VanDerWaalsContact O-CG 3.27Å; A270-M274 WeakPolarHBondContact O-CG 3.17Å; A270-M274 PolarHBondContact O-N 3.48Å; A270-L293 HydrophobicContact CB-CD2 4.47Å |
| 271 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -46.7 | 177.1 | -177.8 | 62.8 | 0 | 0 | 0 | 112.1 | M267 T268 Q269 R273 M274 I275 L293 L294 L297 I305 L306 V309 | M267-L271 WeakPolarHBondContact O-CB 3.45Å; M267-L271 PolarHBondContact O-N 3.25Å; T268-L271 PolarHBondContact O-N 3.09Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; Q269-L271 PolarHBondContact O-N 3.17Å; L271-R273 VanDerWaalsContact C-N 3.35Å; L271-R273 PolarHBondContact O-N 3.07Å; L271-M274 PolarHBondContact O-N 2.96Å; L271-I275 HydrophobicContact CD1-CD1 4.08Å; L271-I275 HydrophobicContact CD1-CG1 4.45Å; L271-I275 HydrophobicContact CG-CD1 3.93Å; L271-I275 WeakPolarHBondContact O-CD1 3.35Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.12Å; L271-I275 PolarHBondContact O-N 3.38Å; L271-L293 HydrophobicContact CB-CD2 3.87Å; L271-L293 HydrophobicContact CD1-CB 4.3Å; L271-L293 HydrophobicContact CD1-CD2 3.93Å; L271-L293 HydrophobicContact CD1-CG 4.05Å; L271-L294 HydrophobicContact CD1-CD2 3.79Å; L271-L294 HydrophobicContact CD1-CG 4.12Å; L271-L294 HydrophobicContact CD2-CD2 3.89Å; L271-L294 HydrophobicContact CG-CD2 4.45Å; L271-L297 HydrophobicContact CB-CD1 4.49Å; L271-L297 HydrophobicContact CD2-CD1 3.92Å; L271-I305 HydrophobicContact CD2-CG2 4.48Å; L271-L306 HydrophobicContact CD2-CD2 4.25Å; L271-V309 HydrophobicContact CB-CG1 4.49Å; L271-V309 HydrophobicContact CD2-CB 3.91Å; L271-V309 HydrophobicContact CD2-CG1 3.79Å; L271-V309 HydrophobicContact CD2-CG2 4.27Å; L271-V309 HydrophobicContact CG-CG1 3.86Å |
| 272 | C | 94.9 | Very high | 93 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.4 | -51.3 | 175.6 | -75.2 | 0 | 0 | 0 | 0 | 111.5 | T268 Q269 I275 D276 | T268-C272 PolarHBondContact O-N 2.84Å; T268-C272 PolarHBondContact O-SG 2.71Å; T268-C272 VanDerWaalsContact O-SG 3.41Å; Q269-C272 PolarHBondContact O-N 2.58Å; C272-I275 WeakPolarHBondContact O-CB 3.5Å; C272-I275 PolarHBondContact O-N 3.47Å; C272-I275 VanDerWaalsContact O-N 3.12Å; C272-D276 VanDerWaalsContact O-CG 3.3Å; C272-D276 PolarHBondContact O-N 2.99Å; C272-D276 VanDerWaalsContact O-OD2 3.11Å |
| 273 | R | 95 | Very high | 92.7 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.9 | -33.9 | -176.6 | -71.9 | 158.8 | 175.8 | 167.3 | -3.6 | 113.2 | I224 S226 E232 P233 Q269 L271 I275 D276 W277 | I224-R273 HydrophobicContact CB-CB 4.08Å; I224-R273 HydrophobicContact CG2-CB 4.1Å; I224-R273 VanDerWaalsContact O-CD 3.24Å; I224-R273 WeakPolarHBondContact O-CD 3.43Å; I224-R273 PolarHBondContact O-NH1 3.49Å; S226-R273 PolarHBondContact O-NH1 2.8Å; E232-R273 WeakPolarHBondContact OE1-CG 3.48Å; E232-R273 IonicContact OE1-CZ 3.64Å; E232-R273 IonicContact OE1-NE 3.38Å; E232-R273 PolarHBondContact OE1-NE 2.84Å; E232-R273 IonicContact OE1-NH2 3.69Å; E232-R273 IonicContact OE2-CZ 3.8Å; E232-R273 IonicContact OE2-NE 3.47Å; E232-R273 PolarHBondContact OE2-NE 3.46Å; E232-R273 IonicContact OE2-NH2 2.78Å; E232-R273 PolarHBondContact OE2-NH2 3.03Å; P233-R273 VanDerWaalsContact CD-CZ 3.41Å; P233-R273 HydrophobicContact CG-CG 4.48Å; Q269-R273 WeakPolarHBondContact O-CB 3.48Å; Q269-R273 WeakPolarHBondContact O-CD 3.41Å; Q269-R273 WeakPolarHBondContact O-CG 3.44Å; Q269-R273 PolarHBondContact O-N 2.82Å; L271-R273 VanDerWaalsContact C-N 3.35Å; L271-R273 PolarHBondContact O-N 3.07Å; R273-I275 VanDerWaalsContact C-N 3.28Å; R273-I275 PolarHBondContact O-N 3.34Å; R273-D276 PolarHBondContact O-N 3.16Å; R273-W277 PolarHBondContact O-N 2.64Å |
| 274 | M | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -31.3 | 169.4 | -75.1 | -170.4 | -167.6 | 0 | 0 | 112.6 | F221 I224 I253 A270 L271 W277 V286 W289 V290 L293 | F221-M274 HydrophobicContact CE1-CE 3.9Å; F221-M274 HydrophobicContact CE2-CE 4.19Å; F221-M274 HydrophobicContact CZ-CE 3.57Å; I224-M274 HydrophobicContact CD1-CE 3.48Å; I224-M274 VanDerWaalsContact CD1-CE 3.48Å; I224-M274 HydrophobicContact CD1-CG 4.05Å; I253-M274 HydrophobicContact CD1-CE 3.91Å; I253-M274 HydrophobicContact CD1-SD 4.29Å; A270-M274 WeakPolarHBondContact O-CB 3.46Å; A270-M274 VanDerWaalsContact O-CG 3.27Å; A270-M274 WeakPolarHBondContact O-CG 3.17Å; A270-M274 PolarHBondContact O-N 3.48Å; L271-M274 PolarHBondContact O-N 2.96Å; M274-W277 HydrophobicContact CB-CE3 4.38Å; M274-W277 HydrophobicContact CG-CE3 4.05Å; M274-W277 HydrophobicContact CG-CH2 4.36Å; M274-W277 HydrophobicContact CG-CZ3 3.88Å; M274-W277 WeakPolarHBondContact O-CB 3.11Å; M274-V286 VanDerWaalsContact O-CG1 3.31Å; M274-V286 WeakPolarHBondContact O-CG1 3.31Å; M274-W289 HydrophobicContact SD-CB 4.14Å; M274-V290 HydrophobicContact CB-CG2 3.96Å; M274-V290 WeakPolarHBondContact O-CG2 3.38Å; M274-L293 HydrophobicContact CE-CD2 4.17Å; M274-L293 HydrophobicContact SD-CB 4.25Å; M274-L293 HydrophobicContact SD-CD2 3.67Å |
| 275 | I | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.4 | -41.5 | 172.6 | -65.6 | 158.4 | 0 | 0 | 0 | 110.3 | L271 C272 R273 W277 L278 V290 V309 K313 L316 V317 M337 | L271-I275 HydrophobicContact CD1-CD1 4.08Å; L271-I275 HydrophobicContact CD1-CG1 4.45Å; L271-I275 HydrophobicContact CG-CD1 3.93Å; L271-I275 WeakPolarHBondContact O-CD1 3.35Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.12Å; L271-I275 PolarHBondContact O-N 3.38Å; C272-I275 WeakPolarHBondContact O-CB 3.5Å; C272-I275 PolarHBondContact O-N 3.47Å; C272-I275 VanDerWaalsContact O-N 3.12Å; R273-I275 VanDerWaalsContact C-N 3.28Å; R273-I275 PolarHBondContact O-N 3.34Å; I275-W277 PolarHBondContact O-N 2.92Å; I275-L278 HydrophobicContact CG2-CD1 4.36Å; I275-L278 VanDerWaalsContact O-CB 3.25Å; I275-L278 WeakPolarHBondContact O-CB 3.35Å; I275-L278 WeakPolarHBondContact O-CG 3.38Å; I275-L278 PolarHBondContact O-N 3.44Å; I275-V290 HydrophobicContact CG1-CG1 3.85Å; I275-V290 HydrophobicContact CG1-CG2 4.26Å; I275-V309 HydrophobicContact CD1-CG1 3.66Å; I275-K313 HydrophobicContact CD1-CB 4.22Å; I275-K313 HydrophobicContact CD1-CG 4.32Å; I275-K313 HydrophobicContact CG2-CB 3.89Å; I275-K313 HydrophobicContact CG2-CG 4.32Å; I275-L316 HydrophobicContact CG2-CD2 4.37Å; I275-V317 HydrophobicContact CG2-CG2 3.53Å; I275-M337 HydrophobicContact CD1-CE 3.56Å; I275-M337 HydrophobicContact CG1-CE 4.13Å |
| 276 | D | 95.2 | Very high | 92.7 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -26 | 178 | -66 | -39 | 0 | 0 | 0 | 113 | V235 C272 R273 L278 S279 K313 L316 | V235-D276 HydrophobicContact CG1-CB 4.16Å; C272-D276 VanDerWaalsContact O-CG 3.3Å; C272-D276 PolarHBondContact O-N 2.99Å; C272-D276 VanDerWaalsContact O-OD2 3.11Å; R273-D276 PolarHBondContact O-N 3.16Å; D276-L278 PolarHBondContact O-N 3.22Å; D276-L278 VanDerWaalsContact O-N 3.15Å; D276-S279 WeakPolarHBondContact O-CB 3.47Å; D276-S279 PolarHBondContact O-N 3.26Å; D276-S279 PolarHBondContact O-OG 2.95Å; D276-S279 VanDerWaalsContact O-OG 3.11Å; D276-K313 IonicContact OD1-NZ 2.91Å; D276-K313 PolarHBondContact OD1-NZ 3.33Å; D276-K313 IonicContact OD2-NZ 2.88Å; D276-K313 PolarHBondContact OD2-NZ 3.04Å; D276-L316 WeakPolarHBondContact OD1-CD1 3.44Å |
| 277 | W | 95.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.011 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -56.7 | -21.6 | 168.5 | -72.4 | -5.1 | 0 | 0 | 0 | 114 | V220 I224 L237 A238 V241 R273 M274 I275 S279 W280 A283 V286 | V220-W277 HydrophobicContact CG1-CH2 3.76Å; V220-W277 HydrophobicContact CG1-CZ2 3.84Å; I224-W277 HydrophobicContact CD1-CH2 3.88Å; I224-W277 HydrophobicContact CD1-CZ2 4.09Å; I224-W277 HydrophobicContact CG2-CH2 4.43Å; I224-W277 HydrophobicContact CG2-CZ2 3.61Å; L237-W277 HydrophobicContact CB-CZ2 4.04Å; A238-W277 HydrophobicContact CB-CB 3.7Å; A238-W277 HydrophobicContact CB-CD2 4.26Å; A238-W277 HydrophobicContact CB-CG 3.71Å; V241-W277 HydrophobicContact CB-CZ3 4.32Å; V241-W277 HydrophobicContact CG1-CH2 3.87Å; V241-W277 HydrophobicContact CG1-CZ3 3.93Å; V241-W277 HydrophobicContact CG2-CE3 3.89Å; V241-W277 HydrophobicContact CG2-CH2 4.43Å; V241-W277 HydrophobicContact CG2-CZ3 3.76Å; R273-W277 PolarHBondContact O-N 2.64Å; M274-W277 HydrophobicContact CB-CE3 4.38Å; M274-W277 HydrophobicContact CG-CE3 4.05Å; M274-W277 HydrophobicContact CG-CH2 4.36Å; M274-W277 HydrophobicContact CG-CZ3 3.88Å; M274-W277 WeakPolarHBondContact O-CB 3.11Å; I275-W277 PolarHBondContact O-N 2.92Å; W277-S279 PolarHBondContact O-N 2.73Å; W277-W280 WeakPolarHBondContact O-CB 3.48Å; W277-W280 PolarHBondContact O-N 3.43Å; W277-A283 WeakPolarHBondContact O-CB 3.36Å; W277-V286 HydrophobicContact CB-CG1 3.63Å; W277-V286 HydrophobicContact CB-CG2 4.18Å |
| 278 | L | 93.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -66.4 | -10.4 | 170.6 | -60.8 | 167.1 | 0 | 0 | 0 | 112.6 | I275 D276 V286 V317 R320 V326 V333 | I275-L278 HydrophobicContact CG2-CD1 4.36Å; I275-L278 VanDerWaalsContact O-CB 3.25Å; I275-L278 WeakPolarHBondContact O-CB 3.35Å; I275-L278 WeakPolarHBondContact O-CG 3.38Å; I275-L278 PolarHBondContact O-N 3.44Å; D276-L278 PolarHBondContact O-N 3.22Å; D276-L278 VanDerWaalsContact O-N 3.15Å; L278-V286 HydrophobicContact CD2-CB 3.85Å; L278-V286 HydrophobicContact CD2-CG1 3.75Å; L278-V286 HydrophobicContact CG-CG1 3.96Å; L278-V317 HydrophobicContact CD1-CG1 4.39Å; L278-V317 HydrophobicContact CD1-CG2 4.15Å; L278-R320 HydrophobicContact CB-CG 3.87Å; L278-R320 WeakPolarHBondContact O-CD 3.5Å; L278-V326 HydrophobicContact CB-CG2 4.12Å; L278-V326 HydrophobicContact CD2-CG2 3.77Å; L278-V333 HydrophobicContact CD1-CG1 4.46Å; L278-V333 HydrophobicContact CD1-CG2 4.37Å |
| 279 | S | 92.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 27.3 Ų | 27.3 | 29% | 0.287 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -82.9 | -10.1 | 171.2 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | D276 W277 | D276-S279 WeakPolarHBondContact O-CB 3.47Å; D276-S279 PolarHBondContact O-N 3.26Å; D276-S279 PolarHBondContact O-OG 2.95Å; D276-S279 VanDerWaalsContact O-OG 3.11Å; W277-S279 PolarHBondContact O-N 2.73Å |
| 280 | W | 93.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -70.9 | 127.6 | 175 | -177.2 | -110.9 | 0 | 0 | 0 | 110.5 | Y191 V192 V195 V235 A236 A238 W277 L282 A283 | Y191-W280 HydrophobicContact CE1-CH2 4.29Å; Y191-W280 AromaticContact CE1-CZ3 3.87Å; Y191-W280 HydrophobicContact CE1-CZ3 3.87Å; V192-W280 HydrophobicContact CB-CH2 4.44Å; V192-W280 HydrophobicContact CG1-CH2 4.47Å; V192-W280 HydrophobicContact CG1-CZ2 4.11Å; V192-W280 HydrophobicContact CG2-CH2 4.08Å; V192-W280 HydrophobicContact CG2-CZ2 4.45Å; V192-W280 HydrophobicContact CG2-CZ3 4.47Å; V195-W280 HydrophobicContact CB-CH2 3.68Å; V195-W280 HydrophobicContact CB-CZ2 4.09Å; V195-W280 HydrophobicContact CG1-CH2 3.63Å; V195-W280 HydrophobicContact CG1-CZ2 3.83Å; V195-W280 HydrophobicContact CG2-CH2 3.99Å; V235-W280 HydrophobicContact CG2-CE3 4.4Å; A236-W280 HydrophobicContact CB-CZ3 4.24Å; A238-W280 HydrophobicContact CB-CB 3.54Å; A238-W280 HydrophobicContact CB-CG 3.79Å; W277-W280 WeakPolarHBondContact O-CB 3.48Å; W277-W280 PolarHBondContact O-N 3.43Å; W280-L282 PolarHBondContact O-N 3.02Å; W280-A283 HydrophobicContact CB-CB 4.27Å; W280-A283 WeakPolarHBondContact O-CB 3.4Å; W280-A283 PolarHBondContact O-N 2.93Å |
| 281 | P | 89.4 | Confident | 92.8 | Very high | 76 Ų | 76 | 25.2 Ų | 25.2 | 49% | 0.494 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.6 | -172.5 | -30.4 | 39 | 0 | 0 | 0 | 116.3 | V192 | V192-P281 HydrophobicContact CG2-CB 4.43Å; V192-P281 HydrophobicContact CG2-CG 3.93Å |
| 282 | L | 88.5 | Confident | 92.7 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 23.4 | 177.9 | -55 | 176.8 | 0 | 0 | 0 | 112.9 | V192 W280 Q284 L325 | V192-L282 HydrophobicContact CG1-CD1 3.98Å; V192-L282 HydrophobicContact CG1-CG 4.23Å; W280-L282 PolarHBondContact O-N 3.02Å; L282-Q284 PolarHBondContact O-N 3.28Å; L282-L325 HydrophobicContact CD2-CD1 4.29Å |
| 283 | A | 83.6 | Confident | 92.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | trans | -73.3 | 81.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W277 W280 V286 V326 | W277-A283 WeakPolarHBondContact O-CB 3.36Å; W280-A283 HydrophobicContact CB-CB 4.27Å; W280-A283 WeakPolarHBondContact O-CB 3.4Å; W280-A283 PolarHBondContact O-N 2.93Å; A283-V286 HydrophobicContact CB-CB 4.3Å; A283-V286 HydrophobicContact CB-CG2 3.57Å; A283-V326 HydrophobicContact CB-CB 4.4Å; A283-V326 HydrophobicContact CB-CG2 4.06Å; A283-V326 WeakPolarHBondContact O-CB 3.48Å; A283-V326 WeakPolarHBondContact O-CG2 3.22Å | ||
| 284 | Q | 87.8 | Confident | 92.6 | Very high | 98 Ų | 98 | 25.9 Ų | 25.9 | 46% | 0.458 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -89.8 | -30 | 178.1 | -64.1 | -173.9 | 11.7 | 0 | 0 | 113.4 | L282 | L282-Q284 PolarHBondContact O-N 3.28Š|
| 285 | H | 90.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 31.7 Ų | 31.7 | 40% | 0.398 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -128.5 | 20 | -171.5 | -58.4 | -33.2 | 0 | 0 | 0 | 113.6 | Q242 D287 T288 | Q242-H285 PolarHBondContact O-CD2 3.14Å; H285-D287 VanDerWaalsContact C-N 3.31Å; H285-D287 VanDerWaalsContact C-OD1 3.3Å; H285-D287 WeakPolarHBondContact CA-OD1 3.1Å; H285-T288 WeakPolarHBondContact O-CB 3.42Å; H285-T288 PolarHBondContact O-N 3.4Å |
| 286 | V | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -32.3 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | Q242 M274 W277 L278 A283 T288 W289 V290 | Q242-V286 VanDerWaalsContact NE2-CG2 3.31Å; M274-V286 VanDerWaalsContact O-CG1 3.31Å; M274-V286 WeakPolarHBondContact O-CG1 3.31Å; W277-V286 HydrophobicContact CB-CG1 3.63Å; W277-V286 HydrophobicContact CB-CG2 4.18Å; L278-V286 HydrophobicContact CD2-CB 3.85Å; L278-V286 HydrophobicContact CD2-CG1 3.75Å; L278-V286 HydrophobicContact CG-CG1 3.96Å; A283-V286 HydrophobicContact CB-CB 4.3Å; A283-V286 HydrophobicContact CB-CG2 3.57Å; V286-T288 PolarHBondContact O-N 3.15Å; V286-W289 WeakPolarHBondContact O-CB 3.12Å; V286-W289 PolarHBondContact O-N 2.92Å; V286-V290 HydrophobicContact CG1-CG2 4.14Å; V286-V290 PolarHBondContact O-N 3.01Å |
| 287 | D | 93.4 | Very high | 91.8 | Very high | 28 Ų | 28 | 31 Ų | 31 | 15% | 0.15 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53 | -38.7 | 174.8 | 70.5 | -42.3 | 0 | 0 | 0 | 112.9 | H285 W289 V290 I291 G329 V333 | H285-D287 VanDerWaalsContact C-N 3.31Å; H285-D287 VanDerWaalsContact C-OD1 3.3Å; H285-D287 WeakPolarHBondContact CA-OD1 3.1Å; D287-W289 VanDerWaalsContact C-N 3.28Å; D287-W289 PolarHBondContact O-N 3.1Å; D287-V290 PolarHBondContact O-N 3.15Å; D287-I291 HydrophobicContact CB-CD1 4.32Å; D287-I291 VanDerWaalsContact O-CB 3.24Å; D287-I291 WeakPolarHBondContact O-CB 3.23Å; D287-I291 VanDerWaalsContact O-CG1 3.24Å; D287-I291 WeakPolarHBondContact O-CG1 3.48Å; D287-I291 PolarHBondContact O-N 3.31Å; D287-G329 VanDerWaalsContact CB-CA 3.45Å; D287-G329 WeakPolarHBondContact CB-O 3.37Å; D287-V333 HydrophobicContact CB-CG2 3.94Å |
| 288 | T | 93.6 | Very high | 91.4 | Very high | 50 Ų | 50 | 32 Ų | 32 | 31% | 0.307 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 178.9 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | L246 I249 H285 V286 A292 | L246-T288 HydrophobicContact CD2-CG2 3.59Å; I249-T288 HydrophobicContact CD1-CG2 3.91Å; H285-T288 WeakPolarHBondContact O-CB 3.42Å; H285-T288 PolarHBondContact O-N 3.4Å; V286-T288 PolarHBondContact O-N 3.15Å; T288-A292 WeakPolarHBondContact O-CB 3.4Å; T288-A292 PolarHBondContact O-N 2.91Å; T288-A292 VanDerWaalsContact O-N 3.16Å |
| 289 | W | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74 | -47.8 | 175.1 | -66.9 | 87.4 | 0 | 0 | 0 | 111.8 | F221 V241 I244 I249 L252 M274 V286 D287 A292 L293 | F221-W289 HydrophobicContact CE2-CE3 4.19Å; F221-W289 HydrophobicContact CE2-CH2 4.23Å; F221-W289 AromaticContact CE2-CZ3 3.5Å; F221-W289 HydrophobicContact CE2-CZ3 3.5Å; F221-W289 HydrophobicContact CZ-CE3 4.09Å; F221-W289 AromaticContact CZ-CZ3 3.67Å; F221-W289 HydrophobicContact CZ-CZ3 3.67Å; V241-W289 HydrophobicContact CB-CZ2 3.75Å; V241-W289 HydrophobicContact CG1-CZ2 4.04Å; V241-W289 PolarHBondContact O-NE1 2.87Å; I244-W289 HydrophobicContact CB-CH2 4.4Å; I244-W289 HydrophobicContact CB-CZ2 3.72Å; I244-W289 HydrophobicContact CG1-CZ2 3.86Å; I244-W289 HydrophobicContact CG2-CH2 4.05Å; I244-W289 HydrophobicContact CG2-CZ2 3.86Å; I249-W289 HydrophobicContact CB-CE3 4.36Å; I249-W289 HydrophobicContact CB-CH2 4.43Å; I249-W289 HydrophobicContact CB-CZ3 4.22Å; I249-W289 HydrophobicContact CD1-CD2 4.04Å; I249-W289 HydrophobicContact CD1-CG 4.43Å; I249-W289 HydrophobicContact CD1-CZ2 3.98Å; I249-W289 HydrophobicContact CG1-CD2 4.11Å; I249-W289 HydrophobicContact CG1-CE3 4.22Å; I249-W289 HydrophobicContact CG1-CH2 3.79Å; I249-W289 HydrophobicContact CG1-CZ2 3.65Å; I249-W289 HydrophobicContact CG1-CZ3 4.03Å; I249-W289 HydrophobicContact CG2-CD2 3.98Å; I249-W289 HydrophobicContact CG2-CE3 3.7Å; I249-W289 HydrophobicContact CG2-CZ3 4.01Å; L252-W289 HydrophobicContact CD1-CH2 4.1Å; L252-W289 HydrophobicContact CD1-CZ3 4.21Å; M274-W289 HydrophobicContact SD-CB 4.14Å; V286-W289 WeakPolarHBondContact O-CB 3.12Å; V286-W289 PolarHBondContact O-N 2.92Å; D287-W289 VanDerWaalsContact C-N 3.28Å; D287-W289 PolarHBondContact O-N 3.1Å; W289-A292 PolarHBondContact O-N 3.24Å; W289-L293 PolarHBondContact O-N 3.47Å |
| 290 | V | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 179.9 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | M274 I275 V286 D287 A292 L293 L294 V333 | M274-V290 HydrophobicContact CB-CG2 3.96Å; M274-V290 WeakPolarHBondContact O-CG2 3.38Å; I275-V290 HydrophobicContact CG1-CG1 3.85Å; I275-V290 HydrophobicContact CG1-CG2 4.26Å; V286-V290 HydrophobicContact CG1-CG2 4.14Å; V286-V290 PolarHBondContact O-N 3.01Å; D287-V290 PolarHBondContact O-N 3.15Å; V290-A292 VanDerWaalsContact C-N 3.32Å; V290-A292 PolarHBondContact O-N 3.31Å; V290-L293 PolarHBondContact O-N 3.35Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 HydrophobicContact CG1-CG 4.22Å; V290-L294 WeakPolarHBondContact O-CB 3.25Å; V290-L294 VanDerWaalsContact O-CG 3.27Å; V290-L294 WeakPolarHBondContact O-CG 3.49Å; V290-L294 PolarHBondContact O-N 3.48Å; V290-V333 HydrophobicContact CB-CG2 3.91Å; V290-V333 HydrophobicContact CG1-CB 4.46Å; V290-V333 HydrophobicContact CG1-CG1 3.74Å; V290-V333 HydrophobicContact CG1-CG2 3.8Å |
| 291 | I | 93.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.1 | -33.9 | -180 | -64.8 | 167.7 | 0 | 0 | 0 | 111.1 | D287 K295 A332 V333 H336 | D287-I291 HydrophobicContact CB-CD1 4.32Å; D287-I291 VanDerWaalsContact O-CB 3.24Å; D287-I291 WeakPolarHBondContact O-CB 3.23Å; D287-I291 VanDerWaalsContact O-CG1 3.24Å; D287-I291 WeakPolarHBondContact O-CG1 3.48Å; D287-I291 PolarHBondContact O-N 3.31Å; I291-K295 HydrophobicContact CG2-CD 3.94Å; I291-K295 VanDerWaalsContact CG2-CE 3.5Å; I291-K295 HydrophobicContact CG2-CG 4.5Å; I291-K295 WeakPolarHBondContact O-CB 3.36Å; I291-K295 VanDerWaalsContact O-CG 3.26Å; I291-K295 WeakPolarHBondContact O-CG 3.35Å; I291-K295 PolarHBondContact O-N 3.17Å; I291-A332 HydrophobicContact CD1-CB 3.81Å; I291-V333 HydrophobicContact CD1-CG2 4.32Å; I291-V333 HydrophobicContact CG1-CG2 4.1Å; I291-H336 HydrophobicContact CG1-CB 4.49Å |
| 292 | A | 93.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 41 Ų | 41 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I249 I253 T288 W289 V290 G296 | I249-A292 HydrophobicContact CG2-CB 4.16Å; I253-A292 HydrophobicContact CG1-CB 4.15Å; T288-A292 WeakPolarHBondContact O-CB 3.4Å; T288-A292 PolarHBondContact O-N 2.91Å; T288-A292 VanDerWaalsContact O-N 3.16Å; W289-A292 PolarHBondContact O-N 3.24Å; V290-A292 VanDerWaalsContact C-N 3.32Å; V290-A292 PolarHBondContact O-N 3.31Å; A292-G296 PolarHBondContact O-N 3.1Å |
| 293 | L | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -43.6 | 177.5 | -172.6 | 51.3 | 0 | 0 | 0 | 112.4 | I253 L256 T257 A270 L271 M274 W289 V290 K295 G296 L297 | I253-L293 HydrophobicContact CD1-CB 3.92Å; I253-L293 HydrophobicContact CD1-CD1 4.19Å; I253-L293 HydrophobicContact CD1-CG 4.48Å; I253-L293 HydrophobicContact CG2-CD1 4.33Å; L256-L293 HydrophobicContact CD2-CD1 3.92Å; L256-L293 HydrophobicContact CD2-CD2 4.35Å; T257-L293 HydrophobicContact CG2-CD1 3.82Å; A270-L293 HydrophobicContact CB-CD2 4.47Å; L271-L293 HydrophobicContact CB-CD2 3.87Å; L271-L293 HydrophobicContact CD1-CB 4.3Å; L271-L293 HydrophobicContact CD1-CD2 3.93Å; L271-L293 HydrophobicContact CD1-CG 4.05Å; M274-L293 HydrophobicContact CE-CD2 4.17Å; M274-L293 HydrophobicContact SD-CB 4.25Å; M274-L293 HydrophobicContact SD-CD2 3.67Å; W289-L293 PolarHBondContact O-N 3.47Å; V290-L293 PolarHBondContact O-N 3.35Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 2.95Å; L293-G296 PolarHBondContact O-N 2.9Å; L293-G296 VanDerWaalsContact O-N 3.13Å; L293-L297 HydrophobicContact CD1-CD1 4.08Å; L293-L297 HydrophobicContact CD1-CG 4.01Å; L293-L297 HydrophobicContact CG-CD1 3.99Å; L293-L297 HydrophobicContact CG-CG 4.39Å; L293-L297 WeakPolarHBondContact O-CB 3.35Å; L293-L297 WeakPolarHBondContact O-CG 3.47Å; L293-L297 PolarHBondContact O-N 3.4Å |
| 294 | L | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -46.3 | 175.2 | -70.2 | 173.2 | 0 | 0 | 0 | 111.1 | L271 V290 A298 L306 M337 W422 | L271-L294 HydrophobicContact CD1-CD2 3.79Å; L271-L294 HydrophobicContact CD1-CG 4.12Å; L271-L294 HydrophobicContact CD2-CD2 3.89Å; L271-L294 HydrophobicContact CG-CD2 4.45Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 HydrophobicContact CG1-CG 4.22Å; V290-L294 WeakPolarHBondContact O-CB 3.25Å; V290-L294 VanDerWaalsContact O-CG 3.27Å; V290-L294 WeakPolarHBondContact O-CG 3.49Å; V290-L294 PolarHBondContact O-N 3.48Å; L294-A298 WeakPolarHBondContact O-CB 3.37Å; L294-A298 PolarHBondContact O-N 3.15Å; L294-A298 VanDerWaalsContact O-N 3.07Å; L294-L306 HydrophobicContact CB-CD2 4.31Å; L294-L306 HydrophobicContact CD2-CD2 3.42Å; L294-L306 VanDerWaalsContact CD2-CD2 3.42Å; L294-L306 HydrophobicContact CG-CD2 4.45Å; L294-M337 HydrophobicContact CD1-CE 4.45Å; L294-M337 HydrophobicContact CD1-CG 4.28Å; L294-W422 HydrophobicContact CB-CZ2 4.35Å; L294-W422 HydrophobicContact CD2-CH2 4.04Å; L294-W422 HydrophobicContact CD2-CZ2 4.06Å |
| 295 | K | 90.1 | Very high | 90.3 | Very high | 123 Ų | 123 | 38.3 Ų | 38.3 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.2 | -38 | 174.7 | -70.8 | 172.4 | -179.1 | 171.2 | 0 | 112.6 | I291 L293 A298 A299 H336 | I291-K295 HydrophobicContact CG2-CD 3.94Å; I291-K295 VanDerWaalsContact CG2-CE 3.5Å; I291-K295 HydrophobicContact CG2-CG 4.5Å; I291-K295 WeakPolarHBondContact O-CB 3.36Å; I291-K295 VanDerWaalsContact O-CG 3.26Å; I291-K295 WeakPolarHBondContact O-CG 3.35Å; I291-K295 PolarHBondContact O-N 3.17Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 2.95Å; K295-A298 PolarHBondContact O-N 3.08Å; K295-A299 WeakPolarHBondContact O-CB 3.49Å; K295-A299 PolarHBondContact O-N 3.03Å; K295-H336 WeakPolarHBondContact CG-NE2 3.24Å |
| 296 | G | 89.6 | Confident | 90.4 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 14% | 0.144 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A292 L293 A299 V300 | A292-G296 PolarHBondContact O-N 3.1Å; L293-G296 PolarHBondContact O-N 2.9Å; L293-G296 VanDerWaalsContact O-N 3.13Å; G296-A299 PolarHBondContact O-N 3.05Å; G296-V300 PolarHBondContact O-N 3.23Å |
| 297 | L | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 176.6 | -71.4 | 169.4 | 0 | 0 | 0 | 112.2 | T257 M267 L271 L293 A299 V300 Q301 K302 I305 L306 | T257-L297 HydrophobicContact CG2-CD2 3.96Å; T257-L297 HydrophobicContact CG2-CG 4.16Å; M267-L297 HydrophobicContact CB-CD2 4.04Å; M267-L297 HydrophobicContact CG-CD2 4.22Å; M267-L297 HydrophobicContact SD-CD2 3.61Å; L271-L297 HydrophobicContact CB-CD1 4.49Å; L271-L297 HydrophobicContact CD2-CD1 3.92Å; L293-L297 HydrophobicContact CD1-CD1 4.08Å; L293-L297 HydrophobicContact CD1-CG 4.01Å; L293-L297 HydrophobicContact CG-CD1 3.99Å; L293-L297 HydrophobicContact CG-CG 4.39Å; L293-L297 WeakPolarHBondContact O-CB 3.35Å; L293-L297 WeakPolarHBondContact O-CG 3.47Å; L293-L297 PolarHBondContact O-N 3.4Å; L297-A299 VanDerWaalsContact C-N 3.34Å; L297-V300 CarbonylContact O-C 3.58Å; L297-V300 WeakPolarHBondContact O-CG2 3.29Å; L297-V300 PolarHBondContact O-N 2.84Å; L297-Q301 PolarHBondContact O-N 3.31Å; L297-Q301 VanDerWaalsContact O-N 3.1Å; L297-K302 HydrophobicContact CB-CB 4.31Å; L297-K302 HydrophobicContact CD2-CB 4.03Å; L297-K302 HydrophobicContact CD2-CG 4.33Å; L297-K302 PolarHBondContact O-N 2.75Å; L297-I305 HydrophobicContact CD1-CG2 4.39Å; L297-L306 HydrophobicContact CB-CD1 4.1Å; L297-L306 HydrophobicContact CB-CD2 3.92Å; L297-L306 HydrophobicContact CB-CG 4.06Å; L297-L306 HydrophobicContact CD1-CD2 4.08Å |
| 298 | A | 87.1 | Confident | 89.8 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L294 K295 V300 Q301 F303 L306 | L294-A298 WeakPolarHBondContact O-CB 3.37Å; L294-A298 PolarHBondContact O-N 3.15Å; L294-A298 VanDerWaalsContact O-N 3.07Å; K295-A298 PolarHBondContact O-N 3.08Å; A298-V300 VanDerWaalsContact C-N 3.3Å; A298-V300 PolarHBondContact O-N 3.39Å; A298-Q301 PolarHBondContact O-N 3.49Å; A298-Q301 VanDerWaalsContact O-N 3.08Å; A298-F303 HydrophobicContact CB-CE1 4.05Å; A298-L306 HydrophobicContact CB-CD1 3.89Å |
| 299 | A | 87.6 | Confident | 89.8 | Confident | 81 Ų | 81 | 36.1 Ų | 36.1 | 67% | 0.669 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.8 | -31.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K295 G296 L297 Q301 | K295-A299 WeakPolarHBondContact O-CB 3.49Å; K295-A299 PolarHBondContact O-N 3.03Å; G296-A299 PolarHBondContact O-N 3.05Å; L297-A299 VanDerWaalsContact C-N 3.34Å; A299-Q301 VanDerWaalsContact C-N 3.35Å |
| 300 | V | 86.6 | Confident | 89.8 | Confident | 49 Ų | 49 | 36 Ų | 36 | 30% | 0.297 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 17.1 | 172.4 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | T258 G296 L297 A298 K302 | T258-V300 HydrophobicContact CG2-CG1 4.2Å; G296-V300 PolarHBondContact O-N 3.23Å; L297-V300 CarbonylContact O-C 3.58Å; L297-V300 WeakPolarHBondContact O-CG2 3.29Å; L297-V300 PolarHBondContact O-N 2.84Å; A298-V300 VanDerWaalsContact C-N 3.3Å; A298-V300 PolarHBondContact O-N 3.39Å; V300-K302 HydrophobicContact CG2-CB 4.43Å; V300-K302 HydrophobicContact CG2-CG 3.76Å; V300-K302 PolarHBondContact O-N 2.89Å |
| 301 | Q | 85.3 | Confident | 89.5 | Confident | 123 Ų | 123 | 38.3 Ų | 38.3 | 58% | 0.575 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 24 | 172.5 | -54.9 | 179.3 | 6.8 | 0 | 0 | 115.2 | L297 A298 A299 F303 | L297-Q301 PolarHBondContact O-N 3.31Å; L297-Q301 VanDerWaalsContact O-N 3.1Å; A298-Q301 PolarHBondContact O-N 3.49Å; A298-Q301 VanDerWaalsContact O-N 3.08Å; A299-Q301 VanDerWaalsContact C-N 3.35Å; Q301-F303 HydrophobicContact CB-CD2 4.23Å; Q301-F303 HydrophobicContact CB-CE2 3.75Å; Q301-F303 HydrophobicContact CB-CZ 4.4Å; Q301-F303 HydrophobicContact CG-CE2 4.02Å; Q301-F303 HydrophobicContact CG-CZ 4.39Å; Q301-F303 WeakPolarHBondContact O-CD2 3.24Å; Q301-F303 PolarHBondContact O-N 2.97Å |
| 302 | K | 85.7 | Confident | 89.5 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 27% | 0.27 | 24% | 0.24 | S | C | . | . | trans | -79.8 | 49.4 | 178.3 | -67.3 | -78.2 | 166.3 | 171.1 | 0 | 111.9 | D264 M267 L297 V300 T304 I305 L306 | D264-K302 IonicContact OD1-NZ 3.05Å; D264-K302 PolarHBondContact OD1-NZ 3.11Å; D264-K302 WeakPolarHBondContact OD2-CD 3.45Å; D264-K302 IonicContact OD2-NZ 3.01Å; D264-K302 PolarHBondContact OD2-NZ 2.81Å; M267-K302 HydrophobicContact CE-CD 4.2Å; M267-K302 HydrophobicContact CE-CG 4.47Å; L297-K302 HydrophobicContact CB-CB 4.31Å; L297-K302 HydrophobicContact CD2-CB 4.03Å; L297-K302 HydrophobicContact CD2-CG 4.33Å; L297-K302 PolarHBondContact O-N 2.75Å; V300-K302 HydrophobicContact CG2-CB 4.43Å; V300-K302 HydrophobicContact CG2-CG 3.76Å; V300-K302 PolarHBondContact O-N 2.89Å; K302-T304 VanDerWaalsContact C-N 3.34Å; K302-T304 PolarHBondContact O-N 3.41Å; K302-I305 HydrophobicContact CB-CD1 4.16Å; K302-I305 HydrophobicContact CD-CD1 4.16Å; K302-I305 PolarHBondContact O-N 3.13Å; K302-L306 PolarHBondContact O-N 3.47Å | ||
| 303 | F | 85 | Confident | 89.7 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | -171.7 | -59.8 | -61.4 | 0 | 0 | 0 | 113.7 | A298 Q301 I305 L306 I307 W422 T423 | A298-F303 HydrophobicContact CB-CE1 4.05Å; Q301-F303 HydrophobicContact CB-CD2 4.23Å; Q301-F303 HydrophobicContact CB-CE2 3.75Å; Q301-F303 HydrophobicContact CB-CZ 4.4Å; Q301-F303 HydrophobicContact CG-CE2 4.02Å; Q301-F303 HydrophobicContact CG-CZ 4.39Å; Q301-F303 WeakPolarHBondContact O-CD2 3.24Å; Q301-F303 PolarHBondContact O-N 2.97Å; F303-I305 PolarHBondContact O-N 2.92Å; F303-L306 HydrophobicContact CD1-CD1 4.07Å; F303-L306 WeakPolarHBondContact O-CB 3.25Å; F303-L306 PolarHBondContact O-N 2.89Å; F303-L306 VanDerWaalsContact O-N 3.14Å; F303-I307 VanDerWaalsContact O-CG1 3.25Å; F303-I307 WeakPolarHBondContact O-CG1 3.39Å; F303-I307 PolarHBondContact O-N 2.7Å; F303-W422 HydrophobicContact CD1-CB 3.78Å; F303-W422 HydrophobicContact CD1-CG 4.11Å; F303-W422 HydrophobicContact CE1-CB 4.29Å; F303-W422 HydrophobicContact CE1-CG 4.49Å; F303-T423 WeakPolarHBondContact CD2-O 3.24Å; F303-T423 WeakPolarHBondContact CG-O 3.32Å |
| 304 | T | 86.1 | Confident | 89.7 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 41% | 0.405 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 176 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | K302 L306 I307 D308 Q425 | K302-T304 VanDerWaalsContact C-N 3.34Å; K302-T304 PolarHBondContact O-N 3.41Å; T304-L306 VanDerWaalsContact C-N 3.27Å; T304-L306 PolarHBondContact O-N 2.93Å; T304-I307 PolarHBondContact O-N 2.71Å; T304-I307 VanDerWaalsContact O-N 3.15Å; T304-D308 WeakPolarHBondContact CG2-OD2 3.46Å; T304-D308 PolarHBondContact O-N 3.21Å; T304-Q425 PolarHBondContact OG1-NE2 2.76Å |
| 305 | I | 90.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 175.2 | -56.8 | 179.3 | 0 | 0 | 0 | 111.3 | D264 M267 T268 L271 L297 K302 F303 V309 | D264-I305 HydrophobicContact CB-CD1 3.94Å; M267-I305 HydrophobicContact CB-CD1 4.12Å; T268-I305 HydrophobicContact CG2-CG2 4.47Å; T268-I305 WeakPolarHBondContact OG1-CG2 3.44Å; L271-I305 HydrophobicContact CD2-CG2 4.48Å; L297-I305 HydrophobicContact CD1-CG2 4.39Å; K302-I305 HydrophobicContact CB-CD1 4.16Å; K302-I305 HydrophobicContact CD-CD1 4.16Å; K302-I305 PolarHBondContact O-N 3.13Å; F303-I305 PolarHBondContact O-N 2.92Å; I305-V309 HydrophobicContact CG2-CG2 4.14Å; I305-V309 VanDerWaalsContact O-CB 3.29Å; I305-V309 WeakPolarHBondContact O-CB 3.2Å; I305-V309 VanDerWaalsContact O-CG2 3.24Å; I305-V309 WeakPolarHBondContact O-CG2 3.46Å; I305-V309 PolarHBondContact O-N 2.66Å |
| 306 | L | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 179.9 | -67.3 | 169.2 | 0 | 0 | 0 | 112.5 | L271 L294 L297 A298 K302 F303 T304 T310 W422 | L271-L306 HydrophobicContact CD2-CD2 4.25Å; L294-L306 HydrophobicContact CB-CD2 4.31Å; L294-L306 HydrophobicContact CD2-CD2 3.42Å; L294-L306 VanDerWaalsContact CD2-CD2 3.42Å; L294-L306 HydrophobicContact CG-CD2 4.45Å; L297-L306 HydrophobicContact CB-CD1 4.1Å; L297-L306 HydrophobicContact CB-CD2 3.92Å; L297-L306 HydrophobicContact CB-CG 4.06Å; L297-L306 HydrophobicContact CD1-CD2 4.08Å; A298-L306 HydrophobicContact CB-CD1 3.89Å; K302-L306 PolarHBondContact O-N 3.47Å; F303-L306 HydrophobicContact CD1-CD1 4.07Å; F303-L306 WeakPolarHBondContact O-CB 3.25Å; F303-L306 PolarHBondContact O-N 2.89Å; F303-L306 VanDerWaalsContact O-N 3.14Å; T304-L306 VanDerWaalsContact C-N 3.27Å; T304-L306 PolarHBondContact O-N 2.93Å; L306-T310 WeakPolarHBondContact O-CB 3.44Å; L306-T310 PolarHBondContact O-N 3.38Å; L306-T310 PolarHBondContact O-OG1 2.69Å; L306-W422 HydrophobicContact CB-CD2 3.95Å; L306-W422 HydrophobicContact CB-CE3 3.86Å; L306-W422 HydrophobicContact CB-CH2 4.24Å; L306-W422 HydrophobicContact CB-CZ2 4.33Å; L306-W422 HydrophobicContact CB-CZ3 4.01Å; L306-W422 HydrophobicContact CD1-CD2 4.12Å; L306-W422 HydrophobicContact CD1-CG 4.22Å; L306-W422 HydrophobicContact CD1-CZ2 4.44Å; L306-W422 HydrophobicContact CD2-CH2 4.37Å; L306-W422 HydrophobicContact CD2-CZ2 4.04Å |
| 307 | I | 87.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -54.9 | 177.5 | -68.6 | 170.8 | 0 | 0 | 0 | 109.7 | F303 T304 V309 T310 L311 F341 | F303-I307 VanDerWaalsContact O-CG1 3.25Å; F303-I307 WeakPolarHBondContact O-CG1 3.39Å; F303-I307 PolarHBondContact O-N 2.7Å; T304-I307 PolarHBondContact O-N 2.71Å; T304-I307 VanDerWaalsContact O-N 3.15Å; I307-V309 PolarHBondContact O-N 2.99Å; I307-T310 PolarHBondContact O-N 2.64Å; I307-L311 HydrophobicContact CG2-CD1 4.28Å; I307-L311 PolarHBondContact O-N 3.01Å; I307-F341 HydrophobicContact CB-CE2 4.16Å; I307-F341 HydrophobicContact CG1-CE2 4.31Å; I307-F341 HydrophobicContact CG2-CE2 3.72Å; I307-F341 HydrophobicContact CG2-CZ 4.13Å |
| 308 | D | 88.4 | Confident | 90.7 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -45.6 | -174 | -58 | -19 | 0 | 0 | 0 | 111.7 | T304 T310 L311 L312 | T304-D308 WeakPolarHBondContact CG2-OD2 3.46Å; T304-D308 PolarHBondContact O-N 3.21Å; D308-T310 VanDerWaalsContact C-N 3.33Å; D308-T310 PolarHBondContact O-N 3.48Å; D308-L311 PolarHBondContact O-N 3.22Å; D308-L312 WeakPolarHBondContact O-CB 3.47Å; D308-L312 PolarHBondContact O-N 2.7Å |
| 309 | V | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.4 | -30.2 | 178.7 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | T268 L271 I275 I305 I307 L312 K313 | T268-V309 HydrophobicContact CG2-CG2 3.63Å; L271-V309 HydrophobicContact CB-CG1 4.49Å; L271-V309 HydrophobicContact CD2-CB 3.91Å; L271-V309 HydrophobicContact CD2-CG1 3.79Å; L271-V309 HydrophobicContact CD2-CG2 4.27Å; L271-V309 HydrophobicContact CG-CG1 3.86Å; I275-V309 HydrophobicContact CD1-CG1 3.66Å; I305-V309 HydrophobicContact CG2-CG2 4.14Å; I305-V309 VanDerWaalsContact O-CB 3.29Å; I305-V309 WeakPolarHBondContact O-CB 3.2Å; I305-V309 VanDerWaalsContact O-CG2 3.24Å; I305-V309 WeakPolarHBondContact O-CG2 3.46Å; I305-V309 PolarHBondContact O-N 2.66Å; I307-V309 PolarHBondContact O-N 2.99Å; V309-L312 PolarHBondContact O-N 3.17Å; V309-K313 HydrophobicContact CG1-CG 4.13Å; V309-K313 WeakPolarHBondContact O-CB 3.15Å; V309-K313 PolarHBondContact O-N 3.32Å |
| 310 | T | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -49.5 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | L306 I307 D308 L312 K313 I314 M337 F341 A347 W422 | L306-T310 WeakPolarHBondContact O-CB 3.44Å; L306-T310 PolarHBondContact O-N 3.38Å; L306-T310 PolarHBondContact O-OG1 2.69Å; I307-T310 PolarHBondContact O-N 2.64Å; D308-T310 VanDerWaalsContact C-N 3.33Å; D308-T310 PolarHBondContact O-N 3.48Å; T310-L312 VanDerWaalsContact C-N 3.26Å; T310-L312 PolarHBondContact O-N 2.86Å; T310-K313 PolarHBondContact O-N 3.03Å; T310-I314 HydrophobicContact CG2-CB 4.36Å; T310-I314 HydrophobicContact CG2-CD1 4.1Å; T310-I314 WeakPolarHBondContact O-CB 3.43Å; T310-I314 WeakPolarHBondContact O-CG2 3.44Å; T310-I314 PolarHBondContact O-N 2.71Å; T310-M337 HydrophobicContact CG2-CB 3.97Å; T310-M337 HydrophobicContact CG2-CG 4.17Å; T310-M337 HydrophobicContact CG2-SD 4.33Å; T310-F341 HydrophobicContact CG2-CD2 3.9Å; T310-F341 HydrophobicContact CG2-CE2 4.45Å; T310-A347 HydrophobicContact CG2-CB 4.21Å; T310-W422 WeakPolarHBondContact OG1-CZ3 3.22Å |
| 311 | L | 91.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 176.1 | -69.5 | 172.8 | 0 | 0 | 0 | 112.2 | I307 D308 F341 E346 A347 L350 | I307-L311 HydrophobicContact CG2-CD1 4.28Å; I307-L311 PolarHBondContact O-N 3.01Å; D308-L311 PolarHBondContact O-N 3.22Å; L311-F341 HydrophobicContact CD1-CE2 4.41Å; L311-F341 HydrophobicContact CD1-CZ 4.13Å; L311-F341 HydrophobicContact CD2-CE1 4.49Å; L311-F341 HydrophobicContact CD2-CE2 4.18Å; L311-F341 HydrophobicContact CD2-CZ 3.73Å; L311-F341 HydrophobicContact CG-CE2 3.93Å; L311-F341 HydrophobicContact CG-CZ 3.87Å; L311-E346 HydrophobicContact CD2-CB 4.19Å; L311-E346 HydrophobicContact CD2-CG 4.01Å; L311-A347 HydrophobicContact CD2-CB 4.02Å; L311-L350 HydrophobicContact CD2-CD1 4.24Å |
| 312 | L | 93 | Very high | 92 | Very high | 119 Ų | 119 | 38.3 Ų | 38.3 | 62% | 0.623 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -72.5 | -29.6 | 179.3 | -178.1 | 62.3 | 0 | 0 | 0 | 114.5 | D308 V309 T310 | D308-L312 WeakPolarHBondContact O-CB 3.47Å; D308-L312 PolarHBondContact O-N 2.7Å; V309-L312 PolarHBondContact O-N 3.17Å; T310-L312 VanDerWaalsContact C-N 3.26Å; T310-L312 PolarHBondContact O-N 2.86Å |
| 313 | K | 95.8 | Very high | 92.3 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -120.9 | -9.6 | -168.2 | -62.9 | -65.8 | -165.6 | 172.1 | 0 | 115.6 | I275 D276 V309 T310 E315 L316 V317 | I275-K313 HydrophobicContact CD1-CB 4.22Å; I275-K313 HydrophobicContact CD1-CG 4.32Å; I275-K313 HydrophobicContact CG2-CB 3.89Å; I275-K313 HydrophobicContact CG2-CG 4.32Å; D276-K313 IonicContact OD1-NZ 2.91Å; D276-K313 PolarHBondContact OD1-NZ 3.33Å; D276-K313 IonicContact OD2-NZ 2.88Å; D276-K313 PolarHBondContact OD2-NZ 3.04Å; V309-K313 HydrophobicContact CG1-CG 4.13Å; V309-K313 WeakPolarHBondContact O-CB 3.15Å; V309-K313 PolarHBondContact O-N 3.32Å; T310-K313 PolarHBondContact O-N 3.03Å; K313-E315 VanDerWaalsContact C-N 3.31Å; K313-E315 PolarHBondContact O-N 3.28Å; K313-L316 WeakPolarHBondContact O-CB 3.38Å; K313-L316 PolarHBondContact O-N 3.41Å; K313-V317 PolarHBondContact O-N 3.01Å; K313-V317 VanDerWaalsContact O-N 3.1Å |
| 314 | I | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -34.6 | -173 | -164 | 165.9 | 0 | 0 | 0 | 113.5 | T310 L316 V317 F318 L334 M337 L338 A347 L350 I351 | T310-I314 HydrophobicContact CG2-CB 4.36Å; T310-I314 HydrophobicContact CG2-CD1 4.1Å; T310-I314 WeakPolarHBondContact O-CB 3.43Å; T310-I314 WeakPolarHBondContact O-CG2 3.44Å; T310-I314 PolarHBondContact O-N 2.71Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 3.26Å; I314-V317 PolarHBondContact O-N 3.32Å; I314-F318 WeakPolarHBondContact O-CB 3.34Å; I314-F318 PolarHBondContact O-N 2.7Å; I314-L334 HydrophobicContact CD1-CD1 3.9Å; I314-L334 HydrophobicContact CG1-CD1 3.58Å; I314-M337 HydrophobicContact CD1-CB 4.45Å; I314-L338 HydrophobicContact CD1-CD2 3.54Å; I314-L338 HydrophobicContact CD1-CG 3.92Å; I314-A347 HydrophobicContact CD1-CB 4.15Å; I314-L350 HydrophobicContact CG2-CB 4.23Å; I314-L350 HydrophobicContact CG2-CD1 3.92Å; I314-I351 HydrophobicContact CD1-CG2 4.47Å; I314-I351 HydrophobicContact CG1-CG2 3.97Å; I314-I351 HydrophobicContact CG2-CG2 4.4Å |
| 315 | E | 95 | Very high | 92.6 | Very high | 80 Ų | 80 | 45 Ų | 45 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -37.6 | 173 | -65.7 | 177.5 | 98.5 | 0 | 0 | 112.1 | K313 F318 N319 L350 | K313-E315 VanDerWaalsContact C-N 3.31Å; K313-E315 PolarHBondContact O-N 3.28Å; E315-F318 PolarHBondContact O-N 2.77Å; E315-N319 WeakPolarHBondContact O-CB 3.41Å; E315-N319 PolarHBondContact O-N 3.18Å; E315-N319 PolarHBondContact O-ND2 2.74Å; E315-L350 HydrophobicContact CG-CB 4.02Å |
| 316 | L | 94.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.7 | -176.6 | 152.5 | 0 | 0 | 0 | 110.4 | I275 D276 K313 I314 N319 R320 | I275-L316 HydrophobicContact CG2-CD2 4.37Å; D276-L316 WeakPolarHBondContact OD1-CD1 3.44Å; K313-L316 WeakPolarHBondContact O-CB 3.38Å; K313-L316 PolarHBondContact O-N 3.41Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 3.26Å; L316-N319 CarbonylContact O-C 3.6Å; L316-N319 PolarHBondContact O-N 2.88Å; L316-R320 HydrophobicContact CD2-CG 4.27Å; L316-R320 WeakPolarHBondContact O-CG 3.3Å; L316-R320 PolarHBondContact O-N 3.25Å; L316-R320 VanDerWaalsContact O-N 3.08Å; L316-R320 PolarHBondContact O-NE 3.31Å |
| 317 | V | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | I275 L278 K313 I314 N319 R320 A330 V333 L334 M337 | I275-V317 HydrophobicContact CG2-CG2 3.53Å; L278-V317 HydrophobicContact CD1-CG1 4.39Å; L278-V317 HydrophobicContact CD1-CG2 4.15Å; K313-V317 PolarHBondContact O-N 3.01Å; K313-V317 VanDerWaalsContact O-N 3.1Å; I314-V317 PolarHBondContact O-N 3.32Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 2.8Å; V317-R320 WeakPolarHBondContact O-CB 3.32Å; V317-R320 PolarHBondContact O-N 3.4Å; V317-A330 HydrophobicContact CG1-CB 4.46Å; V317-A330 WeakPolarHBondContact CG1-O 3.33Å; V317-V333 HydrophobicContact CG1-CB 4.16Å; V317-V333 HydrophobicContact CG1-CG1 3.97Å; V317-V333 HydrophobicContact CG2-CG1 4.17Å; V317-L334 HydrophobicContact CG1-CB 3.96Å; V317-M337 HydrophobicContact CG2-CE 4.42Å; V317-M337 HydrophobicContact CG2-SD 4.27Å |
| 318 | F | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 176 | -166.7 | -84.8 | 0 | 0 | 0 | 111.7 | I314 E315 R320 L321 L334 I351 H354 V355 L358 | I314-F318 WeakPolarHBondContact O-CB 3.34Å; I314-F318 PolarHBondContact O-N 2.7Å; E315-F318 PolarHBondContact O-N 2.77Å; F318-R320 PolarHBondContact O-N 2.82Å; F318-L321 HydrophobicContact CD2-CD1 3.87Å; F318-L321 HydrophobicContact CE2-CD1 3.88Å; F318-L321 HydrophobicContact CG-CD1 4.22Å; F318-L321 HydrophobicContact CZ-CD1 4.25Å; F318-L321 VanDerWaalsContact O-CB 3.24Å; F318-L321 WeakPolarHBondContact O-CB 3.49Å; F318-L321 WeakPolarHBondContact O-CG 3.47Å; F318-L321 PolarHBondContact O-N 3.47Å; F318-L334 HydrophobicContact CD2-CD1 4.48Å; F318-L334 HydrophobicContact CD2-CD2 3.63Å; F318-L334 HydrophobicContact CE2-CD2 4.19Å; F318-I351 HydrophobicContact CB-CB 4.34Å; F318-I351 HydrophobicContact CB-CG2 3.74Å; F318-I351 HydrophobicContact CD2-CB 3.66Å; F318-I351 HydrophobicContact CD2-CD1 3.66Å; F318-I351 HydrophobicContact CD2-CG1 4.28Å; F318-I351 HydrophobicContact CD2-CG2 3.84Å; F318-I351 HydrophobicContact CE2-CB 4.16Å; F318-I351 HydrophobicContact CE2-CD1 3.76Å; F318-I351 HydrophobicContact CG-CB 3.97Å; F318-I351 HydrophobicContact CG-CG2 3.93Å; F318-H354 HydrophobicContact CD1-CB 3.68Å; F318-H354 HydrophobicContact CE1-CB 3.42Å; F318-H354 VanDerWaalsContact CE1-CB 3.42Å; F318-H354 HydrophobicContact CZ-CB 4.36Å; F318-V355 HydrophobicContact CE2-CG2 4.06Å; F318-V355 HydrophobicContact CZ-CB 4.46Å; F318-V355 HydrophobicContact CZ-CG2 3.85Å; F318-L358 HydrophobicContact CE1-CB 4.3Å; F318-L358 HydrophobicContact CE1-CD2 3.73Å; F318-L358 HydrophobicContact CE2-CD2 4.35Å; F318-L358 HydrophobicContact CZ-CB 4.42Å; F318-L358 HydrophobicContact CZ-CD2 3.52Å |
| 319 | N | 94.4 | Very high | 93.2 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.9 | -10.6 | 176.8 | -75.5 | -58.2 | 0 | 0 | 0 | 113.9 | E315 L316 V317 L321 | E315-N319 WeakPolarHBondContact O-CB 3.41Å; E315-N319 PolarHBondContact O-N 3.18Å; E315-N319 PolarHBondContact O-ND2 2.74Å; L316-N319 CarbonylContact O-C 3.6Å; L316-N319 PolarHBondContact O-N 2.88Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 2.8Å; N319-L321 VanDerWaalsContact C-N 3.34Å |
| 320 | R | 93.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.1 | -19 | 167.6 | -61.6 | -51.7 | 93.2 | -173 | 10.7 | 113.2 | L278 L316 V317 F318 W322 F323 V326 A330 | L278-R320 HydrophobicContact CB-CG 3.87Å; L278-R320 WeakPolarHBondContact O-CD 3.5Å; L316-R320 HydrophobicContact CD2-CG 4.27Å; L316-R320 WeakPolarHBondContact O-CG 3.3Å; L316-R320 PolarHBondContact O-N 3.25Å; L316-R320 VanDerWaalsContact O-N 3.08Å; L316-R320 PolarHBondContact O-NE 3.31Å; V317-R320 WeakPolarHBondContact O-CB 3.32Å; V317-R320 PolarHBondContact O-N 3.4Å; F318-R320 PolarHBondContact O-N 2.82Å; R320-W322 PolarHBondContact O-N 2.72Å; R320-W322 VanDerWaalsContact O-N 3.17Å; R320-F323 PolarHBondContact O-N 2.89Å; R320-F323 VanDerWaalsContact O-N 3.07Å; R320-V326 HydrophobicContact CB-CG1 4.23Å; R320-A330 HydrophobicContact CB-CB 3.74Å |
| 321 | L | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.6 | -178.4 | -62.2 | 177.5 | 0 | 0 | 0 | 113.5 | F318 N319 F323 R327 A330 L331 L334 L358 F373 L377 | F318-L321 HydrophobicContact CD2-CD1 3.87Å; F318-L321 HydrophobicContact CE2-CD1 3.88Å; F318-L321 HydrophobicContact CG-CD1 4.22Å; F318-L321 HydrophobicContact CZ-CD1 4.25Å; F318-L321 VanDerWaalsContact O-CB 3.24Å; F318-L321 WeakPolarHBondContact O-CB 3.49Å; F318-L321 WeakPolarHBondContact O-CG 3.47Å; F318-L321 PolarHBondContact O-N 3.47Å; N319-L321 VanDerWaalsContact C-N 3.34Å; L321-F323 VanDerWaalsContact C-N 3.26Å; L321-F323 PolarHBondContact O-N 3.22Å; L321-R327 HydrophobicContact CD2-CG 4.39Å; L321-R327 WeakPolarHBondContact O-CD 3.43Å; L321-R327 VanDerWaalsContact O-CG 3.27Å; L321-R327 WeakPolarHBondContact O-CG 3.43Å; L321-R327 PolarHBondContact O-NE 3.07Å; L321-A330 HydrophobicContact CD2-CB 3.94Å; L321-L331 HydrophobicContact CD2-CB 3.9Å; L321-L334 HydrophobicContact CD1-CD2 3.89Å; L321-L358 HydrophobicContact CB-CD1 4.31Å; L321-L358 HydrophobicContact CB-CD2 3.96Å; L321-L358 HydrophobicContact CD1-CD2 3.7Å; L321-F373 HydrophobicContact CB-CZ 4.14Å; L321-F373 HydrophobicContact CD1-CZ 4.26Å; L321-F373 HydrophobicContact CD2-CE2 4.03Å; L321-F373 HydrophobicContact CD2-CZ 4.31Å; L321-F373 HydrophobicContact CG-CZ 4.47Å; L321-L377 HydrophobicContact CD1-CD1 4.43Å |
| 322 | W | 92.9 | Very high | 93.5 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 35% | 0.345 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -37.9 | 174.4 | -66.7 | 96.3 | 0 | 0 | 0 | 112.5 | R320 P324 R327 L358 S361 F362 | R320-W322 PolarHBondContact O-N 2.72Å; R320-W322 VanDerWaalsContact O-N 3.17Å; W322-P324 WeakPolarHBondContact O-CD 3.38Å; W322-R327 PolarHBondContact O-NH2 3.04Å; W322-R327 VanDerWaalsContact O-NH2 3.14Å; W322-L358 HydrophobicContact CD2-CD1 3.64Å; W322-L358 HydrophobicContact CE3-CD1 4.11Å; W322-L358 HydrophobicContact CG-CD1 3.99Å; W322-L358 HydrophobicContact CH2-CD1 4.37Å; W322-L358 HydrophobicContact CZ2-CB 4.23Å; W322-L358 HydrophobicContact CZ2-CD1 3.92Å; W322-L358 HydrophobicContact CZ3-CD1 4.46Å; W322-S361 WeakPolarHBondContact CH2-OG 3.13Å; W322-S361 WeakPolarHBondContact CZ3-OG 3.32Å; W322-F362 HydrophobicContact CD2-CE2 4.29Å; W322-F362 AromaticContact CE3-CE2 3.71Å; W322-F362 HydrophobicContact CE3-CE2 3.71Å; W322-F362 HydrophobicContact CE3-CZ 4.03Å; W322-F362 HydrophobicContact CZ3-CE2 4.17Å |
| 323 | F | 91.2 | Very high | 93.7 | Very high | 109 Ų | 109 | 38.5 Ų | 38.5 | 48% | 0.478 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -83.5 | 111.1 | -171.2 | -62.5 | -92.7 | 0 | 0 | 0 | 111.6 | R320 L321 L325 V326 R327 | R320-F323 PolarHBondContact O-N 2.89Å; R320-F323 VanDerWaalsContact O-N 3.07Å; L321-F323 VanDerWaalsContact C-N 3.26Å; L321-F323 PolarHBondContact O-N 3.22Å; F323-L325 VanDerWaalsContact C-N 3.31Å; F323-L325 PolarHBondContact O-N 3.34Å; F323-L325 VanDerWaalsContact O-N 3.1Å; F323-V326 HydrophobicContact CB-CG1 3.66Å; F323-V326 PolarHBondContact O-N 3.41Å; F323-R327 WeakPolarHBondContact O-CB 3.43Å; F323-R327 PolarHBondContact O-N 3.01Å |
| 324 | P | 89.1 | Confident | 93.7 | Very high | 95 Ų | 95 | 37 Ų | 37 | 62% | 0.617 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33 | -166.9 | -27.2 | 34.8 | 0 | 0 | 0 | 116.1 | W322 | W322-P324 WeakPolarHBondContact O-CD 3.38Š|
| 325 | L | 88.2 | Confident | 93.6 | Very high | 95 Ų | 95 | 38.7 Ų | 38.7 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -35.1 | -176.7 | -65.3 | 177.3 | 0 | 0 | 0 | 113.6 | L282 F323 | L282-L325 HydrophobicContact CD2-CD1 4.29Å; F323-L325 VanDerWaalsContact C-N 3.31Å; F323-L325 PolarHBondContact O-N 3.34Å; F323-L325 VanDerWaalsContact O-N 3.1Å |
| 326 | V | 92.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -17 | -179.7 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | L278 A283 R320 F323 P328 G329 A330 | L278-V326 HydrophobicContact CB-CG2 4.12Å; L278-V326 HydrophobicContact CD2-CG2 3.77Å; A283-V326 HydrophobicContact CB-CB 4.4Å; A283-V326 HydrophobicContact CB-CG2 4.06Å; A283-V326 WeakPolarHBondContact O-CB 3.48Å; A283-V326 WeakPolarHBondContact O-CG2 3.22Å; R320-V326 HydrophobicContact CB-CG1 4.23Å; F323-V326 HydrophobicContact CB-CG1 3.66Å; F323-V326 PolarHBondContact O-N 3.41Å; V326-P328 VanDerWaalsContact C-CD 3.41Å; V326-P328 VanDerWaalsContact C-N 3.34Å; V326-P328 VanDerWaalsContact O-N 3.14Å; V326-G329 PolarHBondContact O-N 3.5Å; V326-A330 HydrophobicContact CG2-CB 4.41Å; V326-A330 WeakPolarHBondContact O-CB 3.33Å; V326-A330 PolarHBondContact O-N 2.65Å |
| 327 | R | 92.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -43.7 | -45.5 | 178.8 | -177.6 | -172.3 | -54.7 | 173.1 | 4.8 | 114.8 | L321 W322 F323 L331 S370 F373 | L321-R327 HydrophobicContact CD2-CG 4.39Å; L321-R327 WeakPolarHBondContact O-CD 3.43Å; L321-R327 VanDerWaalsContact O-CG 3.27Å; L321-R327 WeakPolarHBondContact O-CG 3.43Å; L321-R327 PolarHBondContact O-NE 3.07Å; W322-R327 PolarHBondContact O-NH2 3.04Å; W322-R327 VanDerWaalsContact O-NH2 3.14Å; F323-R327 WeakPolarHBondContact O-CB 3.43Å; F323-R327 PolarHBondContact O-N 3.01Å; R327-L331 WeakPolarHBondContact O-CB 3.33Å; R327-L331 PolarHBondContact O-N 3.24Å; R327-S370 PolarHBondContact NH1-OG 3.34Å; R327-F373 VanDerWaalsContact CD-CG 3.49Å; R327-F373 HydrophobicContact CG-CD2 3.65Å; R327-F373 HydrophobicContact CG-CE2 3.58Å; R327-F373 HydrophobicContact CG-CG 4.17Å; R327-F373 HydrophobicContact CG-CZ 4.03Å |
| 328 | P | 92.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 34.2 Ų | 34.2 | 56% | 0.558 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -65.4 | -44.6 | 179.8 | -19.9 | 33.6 | 0 | 0 | 0 | 112.5 | V326 L331 A332 | V326-P328 VanDerWaalsContact C-CD 3.41Å; V326-P328 VanDerWaalsContact C-N 3.34Å; V326-P328 VanDerWaalsContact O-N 3.14Å; P328-L331 PolarHBondContact O-N 2.86Å; P328-A332 PolarHBondContact O-N 2.83Å |
| 329 | G | 91.2 | Very high | 93 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.8 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D287 V326 L331 A332 V333 | D287-G329 VanDerWaalsContact CB-CA 3.45Å; D287-G329 WeakPolarHBondContact CB-O 3.37Å; V326-G329 PolarHBondContact O-N 3.5Å; G329-L331 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.48Å; G329-A332 PolarHBondContact O-N 3.37Å; G329-V333 WeakPolarHBondContact O-CG2 3.32Å; G329-V333 PolarHBondContact O-N 2.92Å |
| 330 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V317 R320 L321 V326 V333 L334 | V317-A330 HydrophobicContact CG1-CB 4.46Å; V317-A330 WeakPolarHBondContact CG1-O 3.33Å; R320-A330 HydrophobicContact CB-CB 3.74Å; L321-A330 HydrophobicContact CD2-CB 3.94Å; V326-A330 HydrophobicContact CG2-CB 4.41Å; V326-A330 WeakPolarHBondContact O-CB 3.33Å; V326-A330 PolarHBondContact O-N 2.65Å; A330-V333 PolarHBondContact O-N 3.06Å; A330-L334 WeakPolarHBondContact O-CB 3.15Å; A330-L334 PolarHBondContact O-N 2.93Å |
| 331 | L | 95.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 173.3 | -177.8 | 62.3 | 0 | 0 | 0 | 111.9 | L321 R327 P328 G329 L334 S335 F373 Q376 L377 L380 | L321-L331 HydrophobicContact CD2-CB 3.9Å; R327-L331 WeakPolarHBondContact O-CB 3.33Å; R327-L331 PolarHBondContact O-N 3.24Å; P328-L331 PolarHBondContact O-N 2.86Å; G329-L331 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.48Å; L331-L334 PolarHBondContact O-N 2.66Å; L331-S335 WeakPolarHBondContact O-CB 3.18Å; L331-S335 PolarHBondContact O-N 3.02Å; L331-F373 HydrophobicContact CB-CE2 4.38Å; L331-F373 HydrophobicContact CD1-CE2 4.44Å; L331-F373 HydrophobicContact CD2-CD2 3.82Å; L331-F373 HydrophobicContact CD2-CE2 3.92Å; L331-F373 HydrophobicContact CG-CE2 4.48Å; L331-Q376 HydrophobicContact CD2-CB 3.81Å; L331-L377 HydrophobicContact CD1-CD1 4.07Å; L331-L380 HydrophobicContact CD1-CD2 4.11Å |
| 332 | A | 94.7 | Very high | 91.7 | Very high | 34 Ų | 34 | 32.4 Ų | 32.4 | 28% | 0.281 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I291 P328 G329 H336 | I291-A332 HydrophobicContact CD1-CB 3.81Å; P328-A332 PolarHBondContact O-N 2.83Å; G329-A332 PolarHBondContact O-N 3.37Å; A332-H336 WeakPolarHBondContact O-CB 3.43Å; A332-H336 PolarHBondContact O-N 3.3Å |
| 333 | V | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -49 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L278 D287 V290 I291 V317 G329 A330 S335 H336 M337 | L278-V333 HydrophobicContact CD1-CG1 4.46Å; L278-V333 HydrophobicContact CD1-CG2 4.37Å; D287-V333 HydrophobicContact CB-CG2 3.94Å; V290-V333 HydrophobicContact CB-CG2 3.91Å; V290-V333 HydrophobicContact CG1-CB 4.46Å; V290-V333 HydrophobicContact CG1-CG1 3.74Å; V290-V333 HydrophobicContact CG1-CG2 3.8Å; I291-V333 HydrophobicContact CD1-CG2 4.32Å; I291-V333 HydrophobicContact CG1-CG2 4.1Å; V317-V333 HydrophobicContact CG1-CB 4.16Å; V317-V333 HydrophobicContact CG1-CG1 3.97Å; V317-V333 HydrophobicContact CG2-CG1 4.17Å; G329-V333 WeakPolarHBondContact O-CG2 3.32Å; G329-V333 PolarHBondContact O-N 2.92Å; A330-V333 PolarHBondContact O-N 3.06Å; V333-S335 VanDerWaalsContact C-N 3.35Å; V333-S335 PolarHBondContact O-N 3.31Å; V333-H336 PolarHBondContact O-N 3.25Å; V333-M337 HydrophobicContact CG1-CE 3.85Å; V333-M337 HydrophobicContact CG1-CG 4.45Å; V333-M337 HydrophobicContact CG1-SD 3.92Å; V333-M337 WeakPolarHBondContact O-CG 3.48Å; V333-M337 PolarHBondContact O-N 3.46Å |
| 334 | L | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 178.7 | -179.6 | 67.1 | 0 | 0 | 0 | 111.8 | I314 V317 F318 L321 A330 L331 M337 L338 I351 | I314-L334 HydrophobicContact CD1-CD1 3.9Å; I314-L334 HydrophobicContact CG1-CD1 3.58Å; V317-L334 HydrophobicContact CG1-CB 3.96Å; F318-L334 HydrophobicContact CD2-CD1 4.48Å; F318-L334 HydrophobicContact CD2-CD2 3.63Å; F318-L334 HydrophobicContact CE2-CD2 4.19Å; L321-L334 HydrophobicContact CD1-CD2 3.89Å; A330-L334 WeakPolarHBondContact O-CB 3.15Å; A330-L334 PolarHBondContact O-N 2.93Å; L331-L334 PolarHBondContact O-N 2.66Å; L334-M337 PolarHBondContact O-N 2.97Å; L334-L338 HydrophobicContact CD1-CD1 3.85Å; L334-L338 HydrophobicContact CD1-CG 4.06Å; L334-L338 HydrophobicContact CD2-CD1 4.44Å; L334-L338 HydrophobicContact CG-CD1 3.83Å; L334-L338 HydrophobicContact CG-CG 4.36Å; L334-L338 WeakPolarHBondContact O-CB 3.44Å; L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 3.3Å; L334-I351 HydrophobicContact CD1-CD1 4.45Å |
| 335 | S | 94.4 | Very high | 90.3 | Very high | 35 Ų | 35 | 22.7 Ų | 22.7 | 25% | 0.245 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 176 | -175.4 | 0 | 0 | 0 | 0 | 111 | L331 V333 M337 L339 | L331-S335 WeakPolarHBondContact O-CB 3.18Å; L331-S335 PolarHBondContact O-N 3.02Å; V333-S335 VanDerWaalsContact C-N 3.35Å; V333-S335 PolarHBondContact O-N 3.31Å; S335-M337 PolarHBondContact O-N 3.04Å; S335-L339 WeakPolarHBondContact O-CB 3.33Å; S335-L339 VanDerWaalsContact O-CG 3.24Å; S335-L339 WeakPolarHBondContact O-CG 3.25Å; S335-L339 PolarHBondContact O-N 3.26Å |
| 336 | H | 93.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 20.5 Ų | 20.5 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 178.3 | -168.3 | 36 | 0 | 0 | 0 | 112.9 | I291 K295 A332 V333 S340 | I291-H336 HydrophobicContact CG1-CB 4.49Å; K295-H336 WeakPolarHBondContact CG-NE2 3.24Å; A332-H336 WeakPolarHBondContact O-CB 3.43Å; A332-H336 PolarHBondContact O-N 3.3Å; V333-H336 PolarHBondContact O-N 3.25Å; H336-S340 PolarHBondContact ND1-OG 2.99Å; H336-S340 VanDerWaalsContact O-CB 3.23Å; H336-S340 WeakPolarHBondContact O-CB 3.42Å; H336-S340 PolarHBondContact O-N 3.42Å; H336-S340 VanDerWaalsContact O-N 3.16Å; H336-S340 PolarHBondContact O-OG 3.35Å |
| 337 | M | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -58.1 | 174 | -76.4 | 174.2 | 168.6 | 0 | 0 | 111.5 | I275 L294 T310 I314 V317 V333 L334 S335 L339 S340 F341 W422 | I275-M337 HydrophobicContact CD1-CE 3.56Å; I275-M337 HydrophobicContact CG1-CE 4.13Å; L294-M337 HydrophobicContact CD1-CE 4.45Å; L294-M337 HydrophobicContact CD1-CG 4.28Å; T310-M337 HydrophobicContact CG2-CB 3.97Å; T310-M337 HydrophobicContact CG2-CG 4.17Å; T310-M337 HydrophobicContact CG2-SD 4.33Å; I314-M337 HydrophobicContact CD1-CB 4.45Å; V317-M337 HydrophobicContact CG2-CE 4.42Å; V317-M337 HydrophobicContact CG2-SD 4.27Å; V333-M337 HydrophobicContact CG1-CE 3.85Å; V333-M337 HydrophobicContact CG1-CG 4.45Å; V333-M337 HydrophobicContact CG1-SD 3.92Å; V333-M337 WeakPolarHBondContact O-CG 3.48Å; V333-M337 PolarHBondContact O-N 3.46Å; L334-M337 PolarHBondContact O-N 2.97Å; S335-M337 PolarHBondContact O-N 3.04Å; M337-L339 PolarHBondContact O-N 2.93Å; M337-S340 PolarHBondContact O-N 3.41Å; M337-F341 VanDerWaalsContact O-CB 3.25Å; M337-F341 WeakPolarHBondContact O-CB 3.27Å; M337-F341 PolarHBondContact O-N 3.36Å; M337-W422 HydrophobicContact CG-CH2 4.35Å |
| 338 | L | 92.1 | Very high | 90 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | -176.9 | -74.7 | 176.3 | 0 | 0 | 0 | 112.8 | I314 L334 S340 F348 I351 L380 M384 | I314-L338 HydrophobicContact CD1-CD2 3.54Å; I314-L338 HydrophobicContact CD1-CG 3.92Å; L334-L338 HydrophobicContact CD1-CD1 3.85Å; L334-L338 HydrophobicContact CD1-CG 4.06Å; L334-L338 HydrophobicContact CD2-CD1 4.44Å; L334-L338 HydrophobicContact CG-CD1 3.83Å; L334-L338 HydrophobicContact CG-CG 4.36Å; L334-L338 WeakPolarHBondContact O-CB 3.44Å; L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 3.3Å; L338-S340 VanDerWaalsContact C-N 3.32Å; L338-S340 PolarHBondContact O-N 2.92Å; L338-F348 HydrophobicContact CD2-CB 4.01Å; L338-F348 HydrophobicContact CD2-CD2 4.29Å; L338-I351 HydrophobicContact CD1-CD1 3.74Å; L338-L380 HydrophobicContact CB-CD1 4.35Å; L338-L380 HydrophobicContact CD1-CD2 4.12Å; L338-L380 HydrophobicContact CD1-CG 4.28Å; L338-M384 HydrophobicContact CB-CE 4.42Å; L338-M384 HydrophobicContact CB-CG 4.28Å; L338-M384 HydrophobicContact CB-SD 3.83Å; L338-M384 HydrophobicContact CD1-CG 4.29Å; L338-M384 HydrophobicContact CD2-SD 4.36Å |
| 339 | L | 90.3 | Very high | 90 | Very high | 20 Ų | 20 | 16.8 Ų | 16.8 | 11% | 0.105 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.9 | -34.5 | 177.8 | -70.6 | 173.2 | 0 | 0 | 0 | 112 | S335 M337 Q342 L380 M384 I416 L417 S420 | S335-L339 WeakPolarHBondContact O-CB 3.33Å; S335-L339 VanDerWaalsContact O-CG 3.24Å; S335-L339 WeakPolarHBondContact O-CG 3.25Å; S335-L339 PolarHBondContact O-N 3.26Å; M337-L339 PolarHBondContact O-N 2.93Å; L339-Q342 WeakPolarHBondContact O-CG 3.4Å; L339-Q342 PolarHBondContact O-NE2 2.85Å; L339-L380 HydrophobicContact CD1-CD1 4.43Å; L339-L380 HydrophobicContact CD2-CD1 4.22Å; L339-L380 HydrophobicContact CG-CD1 3.97Å; L339-M384 HydrophobicContact CD2-CE 3.82Å; L339-I416 HydrophobicContact CD1-CG2 3.94Å; L339-I416 HydrophobicContact CD2-CG2 3.5Å; L339-I416 HydrophobicContact CG-CG2 4.41Å; L339-L417 HydrophobicContact CD2-CD2 4.31Å; L339-S420 CarbonylContact C-O 3.59Å |
| 340 | S | 87.2 | Confident | 90 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -82.2 | -29.7 | -179.8 | -50.7 | 0 | 0 | 0 | 0 | 113.3 | H336 M337 L338 Q342 S420 W422 | H336-S340 PolarHBondContact ND1-OG 2.99Å; H336-S340 VanDerWaalsContact O-CB 3.23Å; H336-S340 WeakPolarHBondContact O-CB 3.42Å; H336-S340 PolarHBondContact O-N 3.42Å; H336-S340 VanDerWaalsContact O-N 3.16Å; H336-S340 PolarHBondContact O-OG 3.35Å; M337-S340 PolarHBondContact O-N 3.41Å; L338-S340 VanDerWaalsContact C-N 3.32Å; L338-S340 PolarHBondContact O-N 2.92Å; S340-Q342 PolarHBondContact O-N 3.33Å; S340-S420 WeakPolarHBondContact CA-O 3.13Å; S340-W422 PolarHBondContact O-N 2.87Å |
| 341 | F | 86.4 | Confident | 90 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | trans | -80.8 | 81.5 | 177.7 | -161.2 | -75.6 | 0 | 0 | 0 | 109.6 | I307 T310 L311 M337 H343 S344 A347 Y388 | I307-F341 HydrophobicContact CB-CE2 4.16Å; I307-F341 HydrophobicContact CG1-CE2 4.31Å; I307-F341 HydrophobicContact CG2-CE2 3.72Å; I307-F341 HydrophobicContact CG2-CZ 4.13Å; T310-F341 HydrophobicContact CG2-CD2 3.9Å; T310-F341 HydrophobicContact CG2-CE2 4.45Å; L311-F341 HydrophobicContact CD1-CE2 4.41Å; L311-F341 HydrophobicContact CD1-CZ 4.13Å; L311-F341 HydrophobicContact CD2-CE1 4.49Å; L311-F341 HydrophobicContact CD2-CE2 4.18Å; L311-F341 HydrophobicContact CD2-CZ 3.73Å; L311-F341 HydrophobicContact CG-CE2 3.93Å; L311-F341 HydrophobicContact CG-CZ 3.87Å; M337-F341 VanDerWaalsContact O-CB 3.25Å; M337-F341 WeakPolarHBondContact O-CB 3.27Å; M337-F341 PolarHBondContact O-N 3.36Å; F341-H343 AromaticContact CD1-CE1 3.84Å; F341-H343 AromaticContact CD2-CE1 3.93Å; F341-H343 AromaticContact CE1-CE1 3.6Å; F341-H343 AromaticContact CE1-NE2 3.6Å; F341-H343 AromaticContact CE2-CE1 3.71Å; F341-H343 AromaticContact CG-CE1 3.99Å; F341-H343 AromaticContact CZ-CE1 3.52Å; F341-H343 AromaticContact CZ-NE2 3.48Å; F341-H343 WeakPolarHBondContact CZ-NE2 3.32Å; F341-S344 WeakPolarHBondContact CD1-O 3.47Å; F341-S344 VanDerWaalsContact CE1-O 3.25Å; F341-S344 WeakPolarHBondContact CE1-O 3.48Å; F341-A347 HydrophobicContact CB-CB 4.49Å; F341-A347 HydrophobicContact CD1-CB 3.59Å; F341-A347 HydrophobicContact CD2-CB 4.08Å; F341-A347 HydrophobicContact CE1-CB 3.68Å; F341-A347 HydrophobicContact CE2-CB 4.15Å; F341-A347 HydrophobicContact CG-CB 3.81Å; F341-A347 HydrophobicContact CZ-CB 3.98Å; F341-Y388 PolarHBondContact O-OH 3.13Å | ||
| 342 | Q | 82.2 | Confident | 89.9 | Confident | 41 Ų | 41 | 18.7 Ų | 18.7 | 19% | 0.192 | 10% | 0.104 | C | C | . | . | trans | -101.6 | -16.2 | -173 | -63.5 | -162.4 | 8.5 | 0 | 0 | 115.7 | L339 S340 H387 Y388 L417 S420 A421 | L339-Q342 WeakPolarHBondContact O-CG 3.4Å; L339-Q342 PolarHBondContact O-NE2 2.85Å; S340-Q342 PolarHBondContact O-N 3.33Å; Q342-H387 PolarHBondContact O-NE2 3.07Å; Q342-Y388 WeakPolarHBondContact CA-OH 3.48Å; Q342-Y388 PolarHBondContact O-OH 2.85Å; Q342-L417 PolarHBondContact NE2-O 3.07Å; Q342-S420 PolarHBondContact NE2-O 2.87Å; Q342-A421 HydrophobicContact CB-CB 4.43Å; Q342-A421 HydrophobicContact CG-CB 4.11Å | ||
| 343 | H | 75.3 | Confident | 89.8 | Confident | 44 Ų | 44 | 21.1 Ų | 21.1 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -81.6 | -17.5 | -170.3 | 63.4 | -85.2 | 0 | 0 | 0 | 114.8 | F341 | F341-H343 AromaticContact CD1-CE1 3.84Å; F341-H343 AromaticContact CD2-CE1 3.93Å; F341-H343 AromaticContact CE1-CE1 3.6Å; F341-H343 AromaticContact CE1-NE2 3.6Å; F341-H343 AromaticContact CE2-CE1 3.71Å; F341-H343 AromaticContact CG-CE1 3.99Å; F341-H343 AromaticContact CZ-CE1 3.52Å; F341-H343 AromaticContact CZ-NE2 3.48Å; F341-H343 WeakPolarHBondContact CZ-NE2 3.32Å |
| 344 | S | 81.6 | Confident | 89.8 | Confident | 22 Ų | 22 | 23.8 Ų | 23.8 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | trans | -150.2 | 138 | -178.1 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | F341 E346 Y388 | F341-S344 WeakPolarHBondContact CD1-O 3.47Å; F341-S344 VanDerWaalsContact CE1-O 3.25Å; F341-S344 WeakPolarHBondContact CE1-O 3.48Å; S344-E346 PolarHBondContact O-N 2.98Å; S344-E346 VanDerWaalsContact O-N 3.16Å; S344-E346 PolarHBondContact OG-N 3.01Å; S344-Y388 VanDerWaalsContact C-CE1 3.5Å; S344-Y388 VanDerWaalsContact C-CZ 3.48Å; S344-Y388 PolarHBondContact N-OH 2.88Å; S344-Y388 VanDerWaalsContact O-CZ 3.25Å; S344-Y388 PolarHBondContact O-OH 3.22Å | ||
| 345 | P | 85.3 | Confident | 89.7 | Confident | 24 Ų | 24 | 23.9 Ų | 23.9 | 16% | 0.156 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -10.4 | 178.4 | 29.5 | -36.5 | 0 | 0 | 0 | 114.2 | A347 F348 H349 Y388 | P345-A347 PolarHBondContact O-N 2.88Å; P345-F348 WeakPolarHBondContact O-CB 3.27Å; P345-F348 PolarHBondContact O-N 2.82Å; P345-H349 PolarHBondContact O-N 3.1Å; P345-Y388 HydrophobicContact CB-CD1 3.63Å; P345-Y388 HydrophobicContact CB-CD2 4.23Å; P345-Y388 HydrophobicContact CB-CE1 4.09Å; P345-Y388 HydrophobicContact CB-CG 3.72Å; P345-Y388 HydrophobicContact CG-CD1 4.41Å |
| 346 | E | 86.9 | Confident | 89.7 | Confident | 50 Ų | 50 | 24.3 Ų | 24.3 | 23% | 0.234 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | -166.2 | -170 | 158.1 | -140.3 | 0 | 0 | 113.7 | L311 S344 F348 H349 L350 R935 | L311-E346 HydrophobicContact CD2-CB 4.19Å; L311-E346 HydrophobicContact CD2-CG 4.01Å; S344-E346 PolarHBondContact O-N 2.98Å; S344-E346 VanDerWaalsContact O-N 3.16Å; S344-E346 PolarHBondContact OG-N 3.01Å; E346-F348 VanDerWaalsContact C-N 3.28Å; E346-F348 PolarHBondContact O-N 3.18Å; E346-H349 PolarHBondContact O-N 2.98Å; E346-H349 VanDerWaalsContact O-N 3.17Å; E346-L350 WeakPolarHBondContact O-CG 3.49Å; E346-L350 PolarHBondContact O-N 3.18Å; E346-R935 IonicContact OE1-CZ 2.87Å; E346-R935 IonicContact OE1-NH1 2.78Å; E346-R935 PolarHBondContact OE1-NH1 2.98Å; E346-R935 IonicContact OE1-NH2 3.87Å; E346-R935 PolarHBondContact OE1-NH2 2.93Å |
| 347 | A | 87.1 | Confident | 89.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -35.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T310 L311 I314 F341 P345 | T310-A347 HydrophobicContact CG2-CB 4.21Å; L311-A347 HydrophobicContact CD2-CB 4.02Å; I314-A347 HydrophobicContact CD1-CB 4.15Å; F341-A347 HydrophobicContact CB-CB 4.49Å; F341-A347 HydrophobicContact CD1-CB 3.59Å; F341-A347 HydrophobicContact CD2-CB 4.08Å; F341-A347 HydrophobicContact CE1-CB 3.68Å; F341-A347 HydrophobicContact CE2-CB 4.15Å; F341-A347 HydrophobicContact CG-CB 3.81Å; F341-A347 HydrophobicContact CZ-CB 3.98Å; P345-A347 PolarHBondContact O-N 2.88Å |
| 348 | F | 94 | Very high | 89.7 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.7 | -40.4 | 174.6 | 176.4 | -126.7 | 0 | 0 | 0 | 111.7 | L338 P345 E346 L350 I351 V352 I381 M384 M385 Y388 Y395 | L338-F348 HydrophobicContact CD2-CB 4.01Å; L338-F348 HydrophobicContact CD2-CD2 4.29Å; P345-F348 WeakPolarHBondContact O-CB 3.27Å; P345-F348 PolarHBondContact O-N 2.82Å; E346-F348 VanDerWaalsContact C-N 3.28Å; E346-F348 PolarHBondContact O-N 3.18Å; F348-L350 VanDerWaalsContact C-N 3.29Å; F348-L350 PolarHBondContact O-N 3.27Å; F348-I351 HydrophobicContact CD2-CD1 4.11Å; F348-I351 HydrophobicContact CD2-CG1 4.08Å; F348-I351 HydrophobicContact CE2-CD1 4.37Å; F348-I351 WeakPolarHBondContact O-CG1 3.49Å; F348-I351 PolarHBondContact O-N 2.83Å; F348-V352 HydrophobicContact CD1-CG2 4.39Å; F348-V352 HydrophobicContact CD2-CG2 4.42Å; F348-V352 HydrophobicContact CE1-CG2 4.03Å; F348-V352 HydrophobicContact CE2-CG2 4.03Å; F348-V352 HydrophobicContact CZ-CG2 3.83Å; F348-V352 WeakPolarHBondContact O-CG2 3.45Å; F348-V352 PolarHBondContact O-N 2.98Å; F348-I381 HydrophobicContact CE2-CD1 3.78Å; F348-I381 HydrophobicContact CZ-CG2 4.46Å; F348-M384 HydrophobicContact CD1-CB 3.86Å; F348-M384 HydrophobicContact CD2-CB 3.61Å; F348-M384 HydrophobicContact CD2-CG 3.82Å; F348-M384 HydrophobicContact CE1-CB 3.75Å; F348-M384 HydrophobicContact CE2-CB 3.52Å; F348-M384 HydrophobicContact CE2-CG 4.07Å; F348-M384 HydrophobicContact CG-CB 3.79Å; F348-M384 HydrophobicContact CG-CG 4.18Å; F348-M384 HydrophobicContact CZ-CB 3.6Å; F348-M385 HydrophobicContact CE1-CG 3.98Å; F348-M385 HydrophobicContact CZ-CG 3.78Å; F348-Y388 HydrophobicContact CB-CD2 4.11Å; F348-Y388 HydrophobicContact CB-CE2 4.3Å; F348-Y388 HydrophobicContact CD1-CD2 4.06Å; F348-Y388 HydrophobicContact CG-CD2 4.41Å; F348-Y395 HydrophobicContact CD1-CE1 4.45Å; F348-Y395 AromaticContact CE1-CE1 3.65Å; F348-Y395 HydrophobicContact CE1-CE1 3.65Å; F348-Y395 AromaticContact CE1-CZ 3.8Å; F348-Y395 HydrophobicContact CZ-CE1 4.41Å |
| 349 | H | 92.1 | Very high | 89.8 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68 | -25.7 | -179.9 | -72.9 | -170.8 | 0 | 0 | 0 | 113.3 | P345 E346 P353 F391 Y395 | P345-H349 PolarHBondContact O-N 3.1Å; E346-H349 PolarHBondContact O-N 2.98Å; E346-H349 VanDerWaalsContact O-N 3.17Å; H349-P353 WeakPolarHBondContact O-CD 3.15Å; H349-F391 AromaticContact CE1-CD1 4Å; H349-F391 AromaticContact CE1-CD2 3.72Å; H349-F391 AromaticContact CE1-CE1 3.94Å; H349-F391 AromaticContact CE1-CE2 3.68Å; H349-F391 AromaticContact CE1-CG 3.89Å; H349-F391 AromaticContact CE1-CZ 3.79Å; H349-F391 AromaticContact NE2-CD2 3.87Å; H349-Y395 AromaticContact NE2-CE1 3.94Å; H349-Y395 AromaticContact NE2-CZ 3.89Å; H349-Y395 PolarHBondContact NE2-OH 2.96Å |
| 350 | L | 91.3 | Very high | 90 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -41 | 169.6 | -72.5 | 172.1 | 0 | 0 | 0 | 112.6 | L311 I314 E315 E346 F348 | L311-L350 HydrophobicContact CD2-CD1 4.24Å; I314-L350 HydrophobicContact CG2-CB 4.23Å; I314-L350 HydrophobicContact CG2-CD1 3.92Å; E315-L350 HydrophobicContact CG-CB 4.02Å; E346-L350 WeakPolarHBondContact O-CG 3.49Å; E346-L350 PolarHBondContact O-N 3.18Å; F348-L350 VanDerWaalsContact C-N 3.29Å; F348-L350 PolarHBondContact O-N 3.27Å |
| 351 | I | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -83.5 | -23.2 | -177.4 | 64.9 | 153 | 0 | 0 | 0 | 114 | I314 F318 L334 L338 F348 P353 H354 I381 | I314-I351 HydrophobicContact CD1-CG2 4.47Å; I314-I351 HydrophobicContact CG1-CG2 3.97Å; I314-I351 HydrophobicContact CG2-CG2 4.4Å; F318-I351 HydrophobicContact CB-CB 4.34Å; F318-I351 HydrophobicContact CB-CG2 3.74Å; F318-I351 HydrophobicContact CD2-CB 3.66Å; F318-I351 HydrophobicContact CD2-CD1 3.66Å; F318-I351 HydrophobicContact CD2-CG1 4.28Å; F318-I351 HydrophobicContact CD2-CG2 3.84Å; F318-I351 HydrophobicContact CE2-CB 4.16Å; F318-I351 HydrophobicContact CE2-CD1 3.76Å; F318-I351 HydrophobicContact CG-CB 3.97Å; F318-I351 HydrophobicContact CG-CG2 3.93Å; L334-I351 HydrophobicContact CD1-CD1 4.45Å; L338-I351 HydrophobicContact CD1-CD1 3.74Å; F348-I351 HydrophobicContact CD2-CD1 4.11Å; F348-I351 HydrophobicContact CD2-CG1 4.08Å; F348-I351 HydrophobicContact CE2-CD1 4.37Å; F348-I351 WeakPolarHBondContact O-CG1 3.49Å; F348-I351 PolarHBondContact O-N 2.83Å; I351-P353 VanDerWaalsContact C-CD 3.47Å; I351-H354 WeakPolarHBondContact O-CB 3.38Å; I351-H354 PolarHBondContact O-N 3.1Å; I351-I381 HydrophobicContact CD1-CD1 4.09Å |
| 352 | V | 93.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -48.4 | -46.5 | -174.7 | 152.1 | 0 | 0 | 0 | 0 | 114.2 | F348 H354 V355 L394 Y395 I398 | F348-V352 HydrophobicContact CD1-CG2 4.39Å; F348-V352 HydrophobicContact CD2-CG2 4.42Å; F348-V352 HydrophobicContact CE1-CG2 4.03Å; F348-V352 HydrophobicContact CE2-CG2 4.03Å; F348-V352 HydrophobicContact CZ-CG2 3.83Å; F348-V352 WeakPolarHBondContact O-CG2 3.45Å; F348-V352 PolarHBondContact O-N 2.98Å; V352-H354 PolarHBondContact O-N 3.49Å; V352-H354 VanDerWaalsContact O-N 3.1Å; V352-V355 PolarHBondContact O-N 3.35Å; V352-L394 HydrophobicContact CG1-CD1 3.67Å; V352-L394 HydrophobicContact CG1-CD2 4.38Å; V352-L394 HydrophobicContact CG1-CG 3.85Å; V352-Y395 HydrophobicContact CG2-CE1 4.45Å; V352-I398 HydrophobicContact CB-CD1 4.28Å; V352-I398 HydrophobicContact CG1-CD1 3.94Å; V352-I398 HydrophobicContact CG2-CD1 4.01Å |
| 353 | P | 93.2 | Very high | 90.8 | Very high | 86 Ų | 86 | 37 Ų | 37 | 56% | 0.558 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.5 | -24.8 | 179 | -26.4 | 36.1 | 0 | 0 | 0 | 114.6 | H349 I351 | H349-P353 WeakPolarHBondContact O-CD 3.15Å; I351-P353 VanDerWaalsContact C-CD 3.47Å |
| 354 | H | 94.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -91.5 | -17.5 | -176.6 | -55.8 | -79.1 | 0 | 0 | 0 | 113.2 | F318 I351 V352 L358 | F318-H354 HydrophobicContact CD1-CB 3.68Å; F318-H354 HydrophobicContact CE1-CB 3.42Å; F318-H354 VanDerWaalsContact CE1-CB 3.42Å; F318-H354 HydrophobicContact CZ-CB 4.36Å; I351-H354 WeakPolarHBondContact O-CB 3.38Å; I351-H354 PolarHBondContact O-N 3.1Å; V352-H354 PolarHBondContact O-N 3.49Å; V352-H354 VanDerWaalsContact O-N 3.1Å; H354-L358 WeakPolarHBondContact O-CB 3.42Å; H354-L358 PolarHBondContact O-N 2.91Å; H354-L358 VanDerWaalsContact O-N 3.17Å |
| 355 | V | 94.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | -173.4 | 178 | 0 | 0 | 0 | 0 | 112.1 | F318 V352 N357 L358 V359 I381 I398 | F318-V355 HydrophobicContact CE2-CG2 4.06Å; F318-V355 HydrophobicContact CZ-CB 4.46Å; F318-V355 HydrophobicContact CZ-CG2 3.85Å; V352-V355 PolarHBondContact O-N 3.35Å; V355-N357 PolarHBondContact O-N 3.29Å; V355-L358 PolarHBondContact O-N 3.2Å; V355-V359 HydrophobicContact CG1-CG2 4.1Å; V355-V359 WeakPolarHBondContact O-CB 3.4Å; V355-V359 VanDerWaalsContact O-CG2 3.28Å; V355-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 PolarHBondContact O-N 3.01Å; V355-I381 HydrophobicContact CG1-CD1 4.45Å; V355-I381 HydrophobicContact CG1-CG1 4.46Å; V355-I381 HydrophobicContact CG2-CD1 3.95Å; V355-I398 HydrophobicContact CB-CD1 3.89Å; V355-I398 HydrophobicContact CB-CG1 4.11Å; V355-I398 HydrophobicContact CG1-CD1 4.12Å; V355-I398 HydrophobicContact CG1-CG1 4.08Å; V355-I398 HydrophobicContact CG1-CG2 4.06Å; V355-I398 HydrophobicContact CG2-CD1 4.19Å |
| 356 | V | 94.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 44 Ų | 44 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -44.9 | -176 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | V359 H360 P397 I398 A401 | V356-V359 PolarHBondContact O-N 3.48Å; V356-H360 WeakPolarHBondContact O-CB 3.19Å; V356-H360 PolarHBondContact O-N 2.9Å; V356-P397 HydrophobicContact CG2-CB 4.15Å; V356-I398 HydrophobicContact CG2-CG1 3.82Å; V356-A401 HydrophobicContact CG1-CB 4.3Å |
| 357 | N | 93.8 | Very high | 91.8 | Very high | 101 Ų | 101 | 45.9 Ų | 45.9 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | -179.9 | -65.8 | -14.6 | 0 | 0 | 0 | 111.9 | V355 S361 | V355-N357 PolarHBondContact O-N 3.29Å; N357-S361 WeakPolarHBondContact O-CB 3.33Å; N357-S361 PolarHBondContact O-N 2.89Å; N357-S361 PolarHBondContact O-OG 3.21Å |
| 358 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -49 | 176.4 | -172.7 | 74.2 | 0 | 0 | 0 | 111.3 | F318 L321 W322 H354 V355 S361 F362 F373 L377 | F318-L358 HydrophobicContact CE1-CB 4.3Å; F318-L358 HydrophobicContact CE1-CD2 3.73Å; F318-L358 HydrophobicContact CE2-CD2 4.35Å; F318-L358 HydrophobicContact CZ-CB 4.42Å; F318-L358 HydrophobicContact CZ-CD2 3.52Å; L321-L358 HydrophobicContact CB-CD1 4.31Å; L321-L358 HydrophobicContact CB-CD2 3.96Å; L321-L358 HydrophobicContact CD1-CD2 3.7Å; W322-L358 HydrophobicContact CD2-CD1 3.64Å; W322-L358 HydrophobicContact CE3-CD1 4.11Å; W322-L358 HydrophobicContact CG-CD1 3.99Å; W322-L358 HydrophobicContact CH2-CD1 4.37Å; W322-L358 HydrophobicContact CZ2-CB 4.23Å; W322-L358 HydrophobicContact CZ2-CD1 3.92Å; W322-L358 HydrophobicContact CZ3-CD1 4.46Å; H354-L358 WeakPolarHBondContact O-CB 3.42Å; H354-L358 PolarHBondContact O-N 2.91Å; H354-L358 VanDerWaalsContact O-N 3.17Å; V355-L358 PolarHBondContact O-N 3.2Å; L358-S361 PolarHBondContact O-N 2.78Å; L358-F362 HydrophobicContact CD1-CD2 3.77Å; L358-F362 HydrophobicContact CD1-CE2 3.58Å; L358-F362 HydrophobicContact CG-CD2 4.15Å; L358-F362 HydrophobicContact CG-CE2 4.45Å; L358-F362 WeakPolarHBondContact O-CD2 3.38Å; L358-F362 PolarHBondContact O-N 2.93Å; L358-F362 VanDerWaalsContact O-N 3.16Å; L358-F373 HydrophobicContact CD2-CZ 4.27Å; L358-L377 HydrophobicContact CD2-CD2 3.79Å |
| 359 | V | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 179.1 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V355 V356 S361 F362 K363 L374 A401 I402 F405 | V355-V359 HydrophobicContact CG1-CG2 4.1Å; V355-V359 WeakPolarHBondContact O-CB 3.4Å; V355-V359 VanDerWaalsContact O-CG2 3.28Å; V355-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 PolarHBondContact O-N 3.01Å; V356-V359 PolarHBondContact O-N 3.48Å; V359-S361 VanDerWaalsContact C-N 3.29Å; V359-S361 PolarHBondContact O-N 2.86Å; V359-F362 PolarHBondContact O-N 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.47Å; V359-K363 PolarHBondContact O-N 3Å; V359-L374 HydrophobicContact CG2-CD2 4.16Å; V359-A401 HydrophobicContact CG1-CB 4.12Å; V359-I402 HydrophobicContact CG1-CG2 4.11Å; V359-I402 HydrophobicContact CG2-CG2 3.99Å; V359-F405 HydrophobicContact CG1-CE2 4.41Å |
| 360 | H | 92.9 | Very high | 91.7 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | -178.1 | -170.5 | 88.9 | 0 | 0 | 0 | 112.3 | V356 | V356-H360 WeakPolarHBondContact O-CB 3.19Å; V356-H360 PolarHBondContact O-N 2.9Å |
| 361 | S | 92.3 | Very high | 91.7 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 179.5 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | W322 N357 L358 V359 | W322-S361 WeakPolarHBondContact CH2-OG 3.13Å; W322-S361 WeakPolarHBondContact CZ3-OG 3.32Å; N357-S361 WeakPolarHBondContact O-CB 3.33Å; N357-S361 PolarHBondContact O-N 2.89Å; N357-S361 PolarHBondContact O-OG 3.21Å; L358-S361 PolarHBondContact O-N 2.78Å; V359-S361 VanDerWaalsContact C-N 3.29Å; V359-S361 PolarHBondContact O-N 2.86Å |
| 362 | F | 91.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -91.9 | -10.4 | -177.3 | -72.3 | -59.2 | 0 | 0 | 0 | 114.9 | W322 L358 V359 D365 S370 F373 L374 | W322-F362 HydrophobicContact CD2-CE2 4.29Å; W322-F362 AromaticContact CE3-CE2 3.71Å; W322-F362 HydrophobicContact CE3-CE2 3.71Å; W322-F362 HydrophobicContact CE3-CZ 4.03Å; W322-F362 HydrophobicContact CZ3-CE2 4.17Å; L358-F362 HydrophobicContact CD1-CD2 3.77Å; L358-F362 HydrophobicContact CD1-CE2 3.58Å; L358-F362 HydrophobicContact CG-CD2 4.15Å; L358-F362 HydrophobicContact CG-CE2 4.45Å; L358-F362 WeakPolarHBondContact O-CD2 3.38Å; L358-F362 PolarHBondContact O-N 2.93Å; L358-F362 VanDerWaalsContact O-N 3.16Å; V359-F362 PolarHBondContact O-N 3.3Å; F362-D365 WeakPolarHBondContact CD1-OD2 3.4Å; F362-S370 WeakPolarHBondContact CD1-OG 3.37Å; F362-F373 HydrophobicContact CD2-CE1 4.49Å; F362-L374 HydrophobicContact CB-CD1 3.89Å; F362-L374 HydrophobicContact CB-CD2 4.28Å; F362-L374 HydrophobicContact CB-CG 4.17Å |
| 363 | K | 88.8 | Confident | 91.6 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 27% | 0.274 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.4 | -28.8 | 175.5 | -177.5 | 178.8 | -172.8 | 177.2 | 0 | 112.5 | V359 L374 A401 D404 F405 | V359-K363 WeakPolarHBondContact O-CB 3.47Å; V359-K363 PolarHBondContact O-N 3Å; K363-L374 HydrophobicContact CB-CD1 4.09Å; K363-A401 PolarHBondContact NZ-O 3.42Å; K363-D404 WeakPolarHBondContact CE-OD2 3.45Å; K363-D404 IonicContact NZ-OD2 2.69Å; K363-D404 PolarHBondContact NZ-OD2 3.28Å; K363-F405 HydrophobicContact CB-CZ 4.45Å; K363-F405 HydrophobicContact CD-CE2 4.1Å; K363-F405 HydrophobicContact CG-CE2 4.17Å; K363-F405 HydrophobicContact CG-CZ 4.14Å |
| 364 | N | 85.8 | Confident | 91.7 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 59% | 0.594 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -106.8 | 3.7 | -172.3 | -62.6 | -18.9 | 0 | 0 | 0 | 113.5 | G366 | N364-G366 VanDerWaalsContact C-N 3.35Š|
| 365 | D | 88.8 | Confident | 91.7 | Very high | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -80.4 | -12.4 | -175.7 | 77.4 | -4 | 0 | 0 | 0 | 114.5 | F362 L367 S370 | F362-D365 WeakPolarHBondContact CD1-OD2 3.4Å; D365-L367 VanDerWaalsContact C-N 3.27Å; D365-L367 PolarHBondContact O-N 3.45Å; D365-L367 WeakPolarHBondContact OD1-CB 3.49Å; D365-L367 PolarHBondContact OD1-N 2.98Å; D365-S370 WeakPolarHBondContact OD1-CB 3.41Å; D365-S370 WeakPolarHBondContact OD2-CB 3.35Å; D365-S370 PolarHBondContact OD2-OG 3.4Å |
| 366 | G | 84.6 | Confident | 91.7 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | trans | 74.4 | 6.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N364 P368 | N364-G366 VanDerWaalsContact C-N 3.35Å; G366-P368 WeakPolarHBondContact O-CD 3.42Å | ||
| 367 | L | 90.9 | Very high | 91.7 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | trans | -90.9 | 120.2 | -176.3 | -61.9 | -179.6 | 0 | 0 | 0 | 111.5 | D365 S369 S370 T371 | D365-L367 VanDerWaalsContact C-N 3.27Å; D365-L367 PolarHBondContact O-N 3.45Å; D365-L367 WeakPolarHBondContact OD1-CB 3.49Å; D365-L367 PolarHBondContact OD1-N 2.98Å; L367-S369 PolarHBondContact O-N 3.41Å; L367-S369 VanDerWaalsContact O-N 3.09Å; L367-S370 WeakPolarHBondContact O-CA 3.41Å; L367-S370 WeakPolarHBondContact O-CB 3.48Å; L367-S370 PolarHBondContact O-N 2.9Å; L367-T371 PolarHBondContact O-N 3.12Å; L367-T371 VanDerWaalsContact O-N 3.08Å; L367-T371 PolarHBondContact O-OG1 2.99Å | ||
| 368 | P | 90.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 52 Ų | 52 | 71% | 0.708 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.3 | -28.2 | 178.2 | -26.5 | 35.4 | 0 | 0 | 0 | 114.2 | G366 A372 | G366-P368 WeakPolarHBondContact O-CD 3.42Å; P368-A372 WeakPolarHBondContact O-CB 3.3Å; P368-A372 PolarHBondContact O-N 3.48Å |
| 369 | S | 89.9 | Confident | 91.8 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.8 | -36.1 | 173.7 | 48.4 | 0 | 0 | 0 | 0 | 113 | L367 F373 | L367-S369 PolarHBondContact O-N 3.41Å; L367-S369 VanDerWaalsContact O-N 3.09Å; S369-F373 VanDerWaalsContact O-CB 3.31Å; S369-F373 WeakPolarHBondContact O-CB 3.36Å; S369-F373 PolarHBondContact O-N 3.04Å |
| 370 | S | 91.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 172 | -71.2 | 0 | 0 | 0 | 0 | 111 | R327 F362 D365 L367 A372 F373 L374 | R327-S370 PolarHBondContact NH1-OG 3.34Å; F362-S370 WeakPolarHBondContact CD1-OG 3.37Å; D365-S370 WeakPolarHBondContact OD1-CB 3.41Å; D365-S370 WeakPolarHBondContact OD2-CB 3.35Å; D365-S370 PolarHBondContact OD2-OG 3.4Å; L367-S370 WeakPolarHBondContact O-CA 3.41Å; L367-S370 WeakPolarHBondContact O-CB 3.48Å; L367-S370 PolarHBondContact O-N 2.9Å; S370-A372 PolarHBondContact O-N 3.02Å; S370-F373 WeakPolarHBondContact O-CB 3.46Å; S370-F373 PolarHBondContact O-N 3.02Å; S370-L374 WeakPolarHBondContact O-CB 3.42Å; S370-L374 WeakPolarHBondContact O-CG 3.45Å; S370-L374 PolarHBondContact O-N 3.38Å |
| 371 | T | 90.7 | Very high | 91.9 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 172.9 | -49.6 | 0 | 0 | 0 | 0 | 112 | L367 F373 L374 V375 F405 | L367-T371 PolarHBondContact O-N 3.12Å; L367-T371 VanDerWaalsContact O-N 3.08Å; L367-T371 PolarHBondContact O-OG1 2.99Å; T371-F373 PolarHBondContact O-N 2.76Å; T371-L374 PolarHBondContact O-N 3.2Å; T371-V375 WeakPolarHBondContact O-CG2 3.42Å; T371-V375 PolarHBondContact O-N 3Å; T371-F405 HydrophobicContact CG2-CE1 4.35Å |
| 372 | A | 92.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P368 S370 Q376 | P368-A372 WeakPolarHBondContact O-CB 3.3Å; P368-A372 PolarHBondContact O-N 3.48Å; S370-A372 PolarHBondContact O-N 3.02Å; A372-Q376 PolarHBondContact O-N 3.05Å |
| 373 | F | 94.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 170.7 | 158.3 | -106.2 | 0 | 0 | 0 | 111.9 | L321 R327 L331 L358 F362 S369 S370 T371 V375 Q376 L377 | L321-F373 HydrophobicContact CB-CZ 4.14Å; L321-F373 HydrophobicContact CD1-CZ 4.26Å; L321-F373 HydrophobicContact CD2-CE2 4.03Å; L321-F373 HydrophobicContact CD2-CZ 4.31Å; L321-F373 HydrophobicContact CG-CZ 4.47Å; R327-F373 VanDerWaalsContact CD-CG 3.49Å; R327-F373 HydrophobicContact CG-CD2 3.65Å; R327-F373 HydrophobicContact CG-CE2 3.58Å; R327-F373 HydrophobicContact CG-CG 4.17Å; R327-F373 HydrophobicContact CG-CZ 4.03Å; L331-F373 HydrophobicContact CB-CE2 4.38Å; L331-F373 HydrophobicContact CD1-CE2 4.44Å; L331-F373 HydrophobicContact CD2-CD2 3.82Å; L331-F373 HydrophobicContact CD2-CE2 3.92Å; L331-F373 HydrophobicContact CG-CE2 4.48Å; L358-F373 HydrophobicContact CD2-CZ 4.27Å; F362-F373 HydrophobicContact CD2-CE1 4.49Å; S369-F373 VanDerWaalsContact O-CB 3.31Å; S369-F373 WeakPolarHBondContact O-CB 3.36Å; S369-F373 PolarHBondContact O-N 3.04Å; S370-F373 WeakPolarHBondContact O-CB 3.46Å; S370-F373 PolarHBondContact O-N 3.02Å; T371-F373 PolarHBondContact O-N 2.76Å; F373-V375 VanDerWaalsContact C-N 3.35Å; F373-V375 PolarHBondContact O-N 3.48Å; F373-Q376 PolarHBondContact O-N 3.08Å; F373-Q376 VanDerWaalsContact O-N 3.15Å; F373-L377 HydrophobicContact CE1-CD2 4.31Å; F373-L377 HydrophobicContact CE2-CB 4.49Å; F373-L377 HydrophobicContact CZ-CB 4.43Å; F373-L377 HydrophobicContact CZ-CD2 3.98Å; F373-L377 PolarHBondContact O-N 2.99Å |
| 374 | L | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | -178.8 | -75.2 | -178.9 | 0 | 0 | 0 | 111.5 | V359 F362 K363 S370 T371 Q376 L377 T378 F405 | V359-L374 HydrophobicContact CG2-CD2 4.16Å; F362-L374 HydrophobicContact CB-CD1 3.89Å; F362-L374 HydrophobicContact CB-CD2 4.28Å; F362-L374 HydrophobicContact CB-CG 4.17Å; K363-L374 HydrophobicContact CB-CD1 4.09Å; S370-L374 WeakPolarHBondContact O-CB 3.42Å; S370-L374 WeakPolarHBondContact O-CG 3.45Å; S370-L374 PolarHBondContact O-N 3.38Å; T371-L374 PolarHBondContact O-N 3.2Å; L374-Q376 VanDerWaalsContact C-N 3.28Å; L374-Q376 PolarHBondContact O-N 3.45Å; L374-L377 HydrophobicContact CD2-CD2 4.19Å; L374-L377 CarbonylContact O-C 3.57Å; L374-L377 PolarHBondContact O-N 2.88Å; L374-L377 VanDerWaalsContact O-N 3.14Å; L374-T378 WeakPolarHBondContact O-CG2 3.4Å; L374-T378 PolarHBondContact O-N 2.83Å; L374-T378 PolarHBondContact O-OG1 3.34Å; L374-T378 VanDerWaalsContact O-OG1 3.04Å; L374-F405 HydrophobicContact CB-CD1 4.2Å; L374-F405 HydrophobicContact CB-CE1 3.53Å; L374-F405 HydrophobicContact CB-CZ 3.72Å; L374-F405 HydrophobicContact CD1-CE1 4.16Å; L374-F405 HydrophobicContact CD1-CE2 4.28Å; L374-F405 HydrophobicContact CD1-CZ 3.54Å; L374-F405 HydrophobicContact CG-CZ 4.28Å |
| 375 | V | 94.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 39 Ų | 39 | 30% | 0.303 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55 | -42.6 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | T371 F373 T378 E379 F405 P406 | T371-V375 WeakPolarHBondContact O-CG2 3.42Å; T371-V375 PolarHBondContact O-N 3Å; F373-V375 VanDerWaalsContact C-N 3.35Å; F373-V375 PolarHBondContact O-N 3.48Å; V375-T378 WeakPolarHBondContact CA-OG1 3.27Å; V375-T378 PolarHBondContact O-OG1 2.64Å; V375-E379 WeakPolarHBondContact O-CB 3.43Å; V375-E379 PolarHBondContact O-N 2.66Å; V375-E379 VanDerWaalsContact O-N 3.1Å; V375-F405 HydrophobicContact CG2-CD1 3.96Å; V375-P406 HydrophobicContact CG1-CG 4.3Å; V375-P406 HydrophobicContact CG2-CG 4.42Å |
| 376 | Q | 94.2 | Very high | 92.2 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 58% | 0.579 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69 | -41.6 | 177.5 | -64.7 | 177.2 | 2.6 | 0 | 0 | 112 | L331 A372 F373 L374 L380 | L331-Q376 HydrophobicContact CD2-CB 3.81Å; A372-Q376 PolarHBondContact O-N 3.05Å; F373-Q376 PolarHBondContact O-N 3.08Å; F373-Q376 VanDerWaalsContact O-N 3.15Å; L374-Q376 VanDerWaalsContact C-N 3.28Å; L374-Q376 PolarHBondContact O-N 3.45Å; Q376-L380 PolarHBondContact O-N 3.48Å |
| 377 | L | 95.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 175.6 | -178.5 | 64.9 | 0 | 0 | 0 | 111.2 | L321 L331 L358 F373 L374 E379 L380 I381 | L321-L377 HydrophobicContact CD1-CD1 4.43Å; L331-L377 HydrophobicContact CD1-CD1 4.07Å; L358-L377 HydrophobicContact CD2-CD2 3.79Å; F373-L377 HydrophobicContact CE1-CD2 4.31Å; F373-L377 HydrophobicContact CE2-CB 4.49Å; F373-L377 HydrophobicContact CZ-CB 4.43Å; F373-L377 HydrophobicContact CZ-CD2 3.98Å; F373-L377 PolarHBondContact O-N 2.99Å; L374-L377 HydrophobicContact CD2-CD2 4.19Å; L374-L377 CarbonylContact O-C 3.57Å; L374-L377 PolarHBondContact O-N 2.88Å; L374-L377 VanDerWaalsContact O-N 3.14Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 2.66Å; L377-L380 PolarHBondContact O-N 3.16Å; L377-I381 HydrophobicContact CD1-CD1 4.4Å; L377-I381 HydrophobicContact CD1-CG1 4.06Å; L377-I381 HydrophobicContact CG-CG1 4.15Å; L377-I381 WeakPolarHBondContact O-CB 3.2Å; L377-I381 WeakPolarHBondContact O-CG1 3.4Å; L377-I381 PolarHBondContact O-N 3.47Å |
| 378 | T | 94.2 | Very high | 92 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -34.4 | -179.5 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | L374 V375 H382 I402 F405 | L374-T378 WeakPolarHBondContact O-CG2 3.4Å; L374-T378 PolarHBondContact O-N 2.83Å; L374-T378 PolarHBondContact O-OG1 3.34Å; L374-T378 VanDerWaalsContact O-OG1 3.04Å; V375-T378 WeakPolarHBondContact CA-OG1 3.27Å; V375-T378 PolarHBondContact O-OG1 2.64Å; T378-H382 VanDerWaalsContact O-CB 3.3Å; T378-H382 WeakPolarHBondContact O-CB 3.27Å; T378-H382 PolarHBondContact O-CD2 2.92Å; T378-H382 PolarHBondContact O-N 3.31Å; T378-I402 HydrophobicContact CG2-CB 3.66Å; T378-I402 HydrophobicContact CG2-CD1 4.46Å; T378-I402 HydrophobicContact CG2-CG2 3.61Å; T378-F405 HydrophobicContact CG2-CB 3.9Å; T378-F405 HydrophobicContact CG2-CD2 4.01Å; T378-F405 HydrophobicContact CG2-CG 3.93Å |
| 379 | E | 94.8 | Very high | 91.6 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 172 | 177.1 | 153.1 | 113.9 | 0 | 0 | 112 | V375 L377 H382 C383 P408 K412 I416 | V375-E379 WeakPolarHBondContact O-CB 3.43Å; V375-E379 PolarHBondContact O-N 2.66Å; V375-E379 VanDerWaalsContact O-N 3.1Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 2.66Å; E379-H382 PolarHBondContact O-N 3.44Å; E379-C383 PolarHBondContact O-N 2.75Å; E379-C383 PolarHBondContact O-SG 3.41Å; E379-P408 HydrophobicContact CG-CB 4.31Å; E379-P408 HydrophobicContact CG-CG 4.21Å; E379-K412 WeakPolarHBondContact OE1-CE 3.23Å; E379-K412 IonicContact OE1-NZ 2.71Å; E379-K412 PolarHBondContact OE1-NZ 3.09Å; E379-K412 WeakPolarHBondContact OE2-CE 3.48Å; E379-K412 IonicContact OE2-NZ 3.46Å; E379-K412 PolarHBondContact OE2-NZ 2.71Å; E379-I416 HydrophobicContact CG-CD1 4.39Å |
| 380 | L | 94.4 | Very high | 91 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.7 | 176.1 | 62 | 0 | 0 | 0 | 112.1 | L331 L338 L339 Q376 L377 H382 C383 M384 | L331-L380 HydrophobicContact CD1-CD2 4.11Å; L338-L380 HydrophobicContact CB-CD1 4.35Å; L338-L380 HydrophobicContact CD1-CD2 4.12Å; L338-L380 HydrophobicContact CD1-CG 4.28Å; L339-L380 HydrophobicContact CD1-CD1 4.43Å; L339-L380 HydrophobicContact CD2-CD1 4.22Å; L339-L380 HydrophobicContact CG-CD1 3.97Å; Q376-L380 PolarHBondContact O-N 3.48Å; L377-L380 PolarHBondContact O-N 3.16Å; L380-H382 PolarHBondContact O-N 3.5Å; L380-C383 WeakPolarHBondContact O-CB 3.12Å; L380-C383 PolarHBondContact O-N 2.94Å; L380-M384 WeakPolarHBondContact O-CG 3.36Å; L380-M384 PolarHBondContact O-N 3.22Å |
| 381 | I | 94.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 178 | -63.8 | -67 | 0 | 0 | 0 | 110.8 | F348 I351 V355 L377 M384 M385 I398 I402 | F348-I381 HydrophobicContact CE2-CD1 3.78Å; F348-I381 HydrophobicContact CZ-CG2 4.46Å; I351-I381 HydrophobicContact CD1-CD1 4.09Å; V355-I381 HydrophobicContact CG1-CD1 4.45Å; V355-I381 HydrophobicContact CG1-CG1 4.46Å; V355-I381 HydrophobicContact CG2-CD1 3.95Å; L377-I381 HydrophobicContact CD1-CD1 4.4Å; L377-I381 HydrophobicContact CD1-CG1 4.06Å; L377-I381 HydrophobicContact CG-CG1 4.15Å; L377-I381 WeakPolarHBondContact O-CB 3.2Å; L377-I381 WeakPolarHBondContact O-CG1 3.4Å; L377-I381 PolarHBondContact O-N 3.47Å; I381-M384 PolarHBondContact O-N 3.48Å; I381-M385 HydrophobicContact CG2-CE 3.91Å; I381-M385 HydrophobicContact CG2-CG 4.34Å; I381-M385 HydrophobicContact CG2-SD 4.04Å; I381-M385 WeakPolarHBondContact O-CG 3.46Å; I381-M385 PolarHBondContact O-N 2.85Å; I381-I398 HydrophobicContact CG2-CG2 3.71Å; I381-I402 HydrophobicContact CG2-CD1 4.47Å |
| 382 | H | 92.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 172.4 | -82.6 | -52.7 | 0 | 0 | 0 | 112.9 | T378 E379 L380 M384 Y386 P408 | T378-H382 VanDerWaalsContact O-CB 3.3Å; T378-H382 WeakPolarHBondContact O-CB 3.27Å; T378-H382 PolarHBondContact O-CD2 2.92Å; T378-H382 PolarHBondContact O-N 3.31Å; E379-H382 PolarHBondContact O-N 3.44Å; L380-H382 PolarHBondContact O-N 3.5Å; H382-M384 VanDerWaalsContact C-N 3.34Å; H382-Y386 WeakPolarHBondContact O-CB 3.5Å; H382-Y386 PolarHBondContact O-N 3.32Å; H382-P408 HydrophobicContact CB-CG 3.77Å |
| 383 | C | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 174 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | E379 L380 Y386 H387 I413 | E379-C383 PolarHBondContact O-N 2.75Å; E379-C383 PolarHBondContact O-SG 3.41Å; L380-C383 WeakPolarHBondContact O-CB 3.12Å; L380-C383 PolarHBondContact O-N 2.94Å; C383-Y386 PolarHBondContact O-N 2.92Å; C383-H387 WeakPolarHBondContact O-CB 3.47Å; C383-H387 PolarHBondContact O-N 3.41Å; C383-I413 HydrophobicContact CB-CG2 4.27Å |
| 384 | M | 91.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 177.7 | -69.4 | -60.2 | 103.6 | 0 | 0 | 113.2 | L338 L339 F348 L380 I381 H382 Y386 H387 Y388 L417 | L338-M384 HydrophobicContact CB-CE 4.42Å; L338-M384 HydrophobicContact CB-CG 4.28Å; L338-M384 HydrophobicContact CB-SD 3.83Å; L338-M384 HydrophobicContact CD1-CG 4.29Å; L338-M384 HydrophobicContact CD2-SD 4.36Å; L339-M384 HydrophobicContact CD2-CE 3.82Å; F348-M384 HydrophobicContact CD1-CB 3.86Å; F348-M384 HydrophobicContact CD2-CB 3.61Å; F348-M384 HydrophobicContact CD2-CG 3.82Å; F348-M384 HydrophobicContact CE1-CB 3.75Å; F348-M384 HydrophobicContact CE2-CB 3.52Å; F348-M384 HydrophobicContact CE2-CG 4.07Å; F348-M384 HydrophobicContact CG-CB 3.79Å; F348-M384 HydrophobicContact CG-CG 4.18Å; F348-M384 HydrophobicContact CZ-CB 3.6Å; L380-M384 WeakPolarHBondContact O-CG 3.36Å; L380-M384 PolarHBondContact O-N 3.22Å; I381-M384 PolarHBondContact O-N 3.48Å; H382-M384 VanDerWaalsContact C-N 3.34Å; M384-Y386 VanDerWaalsContact C-N 3.29Å; M384-Y386 PolarHBondContact O-N 3.09Å; M384-H387 PolarHBondContact O-N 3.44Å; M384-Y388 WeakPolarHBondContact O-CB 3.38Å; M384-Y388 PolarHBondContact O-N 2.84Å; M384-Y388 HydrophobicContact SD-CD2 4.45Å; M384-Y388 HydrophobicContact SD-CE2 4.25Å; M384-L417 HydrophobicContact CE-CD2 3.99Å |
| 385 | M | 89.4 | Confident | 88.8 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.069 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -28.5 | 177.8 | -66.4 | -176.5 | -52.8 | 0 | 0 | 112.9 | F348 I381 Y388 S389 Y395 I398 L399 I402 | F348-M385 HydrophobicContact CE1-CG 3.98Å; F348-M385 HydrophobicContact CZ-CG 3.78Å; I381-M385 HydrophobicContact CG2-CE 3.91Å; I381-M385 HydrophobicContact CG2-CG 4.34Å; I381-M385 HydrophobicContact CG2-SD 4.04Å; I381-M385 WeakPolarHBondContact O-CG 3.46Å; I381-M385 PolarHBondContact O-N 2.85Å; M385-Y388 CarbonylContact O-C 3.46Å; M385-S389 WeakPolarHBondContact O-CA 3.5Å; M385-S389 PolarHBondContact O-N 2.96Å; M385-Y395 HydrophobicContact CB-CD2 3.85Å; M385-Y395 HydrophobicContact CB-CE2 3.96Å; M385-Y395 HydrophobicContact CB-CG 4.37Å; M385-Y395 HydrophobicContact CG-CD1 4.02Å; M385-Y395 HydrophobicContact CG-CD2 3.77Å; M385-Y395 HydrophobicContact CG-CE1 4.26Å; M385-Y395 HydrophobicContact CG-CE2 4.01Å; M385-Y395 HydrophobicContact CG-CG 3.8Å; M385-Y395 HydrophobicContact SD-CD1 4.21Å; M385-Y395 HydrophobicContact SD-CD2 4.21Å; M385-Y395 HydrophobicContact SD-CG 3.8Å; M385-I398 HydrophobicContact CE-CG2 4.32Å; M385-I398 HydrophobicContact SD-CB 4.42Å; M385-I398 HydrophobicContact SD-CG2 3.89Å; M385-L399 HydrophobicContact CE-CD2 3.64Å; M385-L399 HydrophobicContact CE-CG 4.28Å; M385-L399 HydrophobicContact SD-CD2 4.4Å; M385-L399 HydrophobicContact SD-CG 4.44Å; M385-I402 HydrophobicContact CE-CD1 3.97Å |
| 386 | Y | 89.7 | Confident | 88.6 | Confident | 74 Ų | 74 | 39.8 Ų | 39.8 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.7 | -49.1 | 172 | 179.8 | -86.1 | 0 | 0 | 0 | 111.4 | H382 C383 M384 S389 E410 I413 K414 L417 | H382-Y386 WeakPolarHBondContact O-CB 3.5Å; H382-Y386 PolarHBondContact O-N 3.32Å; C383-Y386 PolarHBondContact O-N 2.92Å; M384-Y386 VanDerWaalsContact C-N 3.29Å; M384-Y386 PolarHBondContact O-N 3.09Å; Y386-S389 WeakPolarHBondContact O-CB 3.46Å; Y386-S389 PolarHBondContact O-N 3.43Å; Y386-S389 PolarHBondContact O-OG 2.93Å; Y386-E410 HydrophobicContact CE2-CG 3.73Å; Y386-E410 PolarHBondContact OH-OE1 3.17Å; Y386-I413 HydrophobicContact CD1-CG2 3.53Å; Y386-I413 HydrophobicContact CD2-CD1 4.34Å; Y386-I413 HydrophobicContact CE1-CG2 4.27Å; Y386-I413 HydrophobicContact CG-CD1 4.27Å; Y386-I413 HydrophobicContact CG-CG2 3.76Å; Y386-K414 HydrophobicContact CE1-CG 4.49Å; Y386-K414 WeakPolarHBondContact OH-CE 3.05Å; Y386-K414 PolarHBondContact OH-NZ 3.3Å; Y386-L417 HydrophobicContact CD1-CD1 4.23Å |
| 387 | H | 85.9 | Confident | 88.5 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -54 | 178.5 | -171.8 | 59.3 | 0 | 0 | 0 | 111 | Q342 C383 M384 S389 L417 R920 | Q342-H387 PolarHBondContact O-NE2 3.07Å; C383-H387 WeakPolarHBondContact O-CB 3.47Å; C383-H387 PolarHBondContact O-N 3.41Å; M384-H387 PolarHBondContact O-N 3.44Å; H387-S389 VanDerWaalsContact C-N 3.28Å; H387-S389 PolarHBondContact O-N 3.46Å; H387-L417 HydrophobicContact CB-CD1 3.88Å; H387-L417 HydrophobicContact CB-CD2 3.97Å; H387-R920 PolarHBondContact O-NH1 2.94Å; H387-R920 PolarHBondContact O-NH2 3.06Å |
| 388 | Y | 85.4 | Confident | 88.4 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 45.5 | 175.5 | -61.1 | -55.1 | 0 | 0 | 0 | 112.8 | F341 Q342 S344 P345 F348 M384 M385 F391 Y395 | F341-Y388 PolarHBondContact O-OH 3.13Å; Q342-Y388 WeakPolarHBondContact CA-OH 3.48Å; Q342-Y388 PolarHBondContact O-OH 2.85Å; S344-Y388 VanDerWaalsContact C-CE1 3.5Å; S344-Y388 VanDerWaalsContact C-CZ 3.48Å; S344-Y388 PolarHBondContact N-OH 2.88Å; S344-Y388 VanDerWaalsContact O-CZ 3.25Å; S344-Y388 PolarHBondContact O-OH 3.22Å; P345-Y388 HydrophobicContact CB-CD1 3.63Å; P345-Y388 HydrophobicContact CB-CD2 4.23Å; P345-Y388 HydrophobicContact CB-CE1 4.09Å; P345-Y388 HydrophobicContact CB-CG 3.72Å; P345-Y388 HydrophobicContact CG-CD1 4.41Å; F348-Y388 HydrophobicContact CB-CD2 4.11Å; F348-Y388 HydrophobicContact CB-CE2 4.3Å; F348-Y388 HydrophobicContact CD1-CD2 4.06Å; F348-Y388 HydrophobicContact CG-CD2 4.41Å; M384-Y388 WeakPolarHBondContact O-CB 3.38Å; M384-Y388 PolarHBondContact O-N 2.84Å; M384-Y388 HydrophobicContact SD-CD2 4.45Å; M384-Y388 HydrophobicContact SD-CE2 4.25Å; M385-Y388 CarbonylContact O-C 3.46Å; Y388-F391 WeakPolarHBondContact O-CD2 3.5Å; Y388-Y395 WeakPolarHBondContact O-CE2 3.45Å; Y388-Y395 PolarHBondContact O-OH 3.38Å |
| 389 | S | 81.6 | Confident | 88.3 | Confident | 48 Ų | 48 | 40.3 Ų | 40.3 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | trans | -67.2 | 149.1 | 172.6 | 37.7 | 0 | 0 | 0 | 0 | 112 | M385 Y386 H387 R920 | M385-S389 WeakPolarHBondContact O-CA 3.5Å; M385-S389 PolarHBondContact O-N 2.96Å; Y386-S389 WeakPolarHBondContact O-CB 3.46Å; Y386-S389 PolarHBondContact O-N 3.43Å; Y386-S389 PolarHBondContact O-OG 2.93Å; H387-S389 VanDerWaalsContact C-N 3.28Å; H387-S389 PolarHBondContact O-N 3.46Å; S389-R920 PolarHBondContact OG-NH2 3.14Å | ||
| 390 | G | 78 | Confident | 88.2 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 125.2 | -2.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P392 | G390-P392 VanDerWaalsContact C-CD 3.46Å; G390-P392 WeakPolarHBondContact O-CD 3.34Å |
| 391 | F | 84 | Confident | 88.1 | Confident | 49 Ų | 49 | 43 Ų | 43 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | trans | -122.1 | 62.9 | -176.7 | -53.2 | -86.7 | 0 | 0 | 0 | 112.4 | H349 Y388 D393 L394 Y395 | H349-F391 AromaticContact CE1-CD1 4Å; H349-F391 AromaticContact CE1-CD2 3.72Å; H349-F391 AromaticContact CE1-CE1 3.94Å; H349-F391 AromaticContact CE1-CE2 3.68Å; H349-F391 AromaticContact CE1-CG 3.89Å; H349-F391 AromaticContact CE1-CZ 3.79Å; H349-F391 AromaticContact NE2-CD2 3.87Å; Y388-F391 WeakPolarHBondContact O-CD2 3.5Å; F391-D393 PolarHBondContact O-N 3.28Å; F391-L394 HydrophobicContact CB-CB 3.96Å; F391-L394 HydrophobicContact CB-CD2 4.19Å; F391-L394 PolarHBondContact O-N 3.33Å; F391-Y395 HydrophobicContact CB-CE1 4.34Å; F391-Y395 HydrophobicContact CB-CE2 4.12Å; F391-Y395 HydrophobicContact CD2-CE2 4.47Å; F391-Y395 PolarHBondContact O-N 3.2Å | ||
| 392 | P | 78.6 | Confident | 88 | Confident | 86 Ų | 86 | 43 Ų | 43 | 56% | 0.558 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -58.2 | -51.2 | -174.9 | 24.2 | -33.3 | 0 | 0 | 0 | 112.3 | G390 L394 Y395 E396 | G390-P392 VanDerWaalsContact C-CD 3.46Å; G390-P392 WeakPolarHBondContact O-CD 3.34Å; P392-L394 PolarHBondContact O-N 3.2Å; P392-Y395 PolarHBondContact O-N 2.8Å; P392-E396 PolarHBondContact O-N 3.26Å |
| 393 | D | 79.8 | Confident | 88 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.2 | -23.9 | 177.8 | -81.2 | 55.5 | 0 | 0 | 0 | 115.4 | F391 K938 | F391-D393 PolarHBondContact O-N 3.28Å; D393-K938 HydrophobicContact CB-CD 4.39Å; D393-K938 VanDerWaalsContact OD2-CD 3.31Å; D393-K938 WeakPolarHBondContact OD2-CD 3.5Å; D393-K938 WeakPolarHBondContact OD2-CE 3.1Å; D393-K938 IonicContact OD2-NZ 3.32Å; D393-K938 PolarHBondContact OD2-NZ 3.38Å |
| 394 | L | 81.4 | Confident | 87.9 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -89.6 | -31.7 | 179.4 | -175.7 | 64.3 | 0 | 0 | 0 | 111.8 | V352 F391 P392 F936 | V352-L394 HydrophobicContact CG1-CD1 3.67Å; V352-L394 HydrophobicContact CG1-CD2 4.38Å; V352-L394 HydrophobicContact CG1-CG 3.85Å; F391-L394 HydrophobicContact CB-CB 3.96Å; F391-L394 HydrophobicContact CB-CD2 4.19Å; F391-L394 PolarHBondContact O-N 3.33Å; P392-L394 PolarHBondContact O-N 3.2Å; L394-F936 HydrophobicContact CD1-CE1 4.42Å; L394-F936 HydrophobicContact CD2-CE1 4.17Å |
| 395 | Y | 92.5 | Very high | 88 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -96.6 | -21.9 | -174.8 | -60.4 | -18.8 | 0 | 0 | 0 | 113.4 | F348 H349 V352 M385 Y388 F391 P392 P397 I398 L399 | F348-Y395 HydrophobicContact CD1-CE1 4.45Å; F348-Y395 AromaticContact CE1-CE1 3.65Å; F348-Y395 HydrophobicContact CE1-CE1 3.65Å; F348-Y395 AromaticContact CE1-CZ 3.8Å; F348-Y395 HydrophobicContact CZ-CE1 4.41Å; H349-Y395 AromaticContact NE2-CE1 3.94Å; H349-Y395 AromaticContact NE2-CZ 3.89Å; H349-Y395 PolarHBondContact NE2-OH 2.96Å; V352-Y395 HydrophobicContact CG2-CE1 4.45Å; M385-Y395 HydrophobicContact CB-CD2 3.85Å; M385-Y395 HydrophobicContact CB-CE2 3.96Å; M385-Y395 HydrophobicContact CB-CG 4.37Å; M385-Y395 HydrophobicContact CG-CD1 4.02Å; M385-Y395 HydrophobicContact CG-CD2 3.77Å; M385-Y395 HydrophobicContact CG-CE1 4.26Å; M385-Y395 HydrophobicContact CG-CE2 4.01Å; M385-Y395 HydrophobicContact CG-CG 3.8Å; M385-Y395 HydrophobicContact SD-CD1 4.21Å; M385-Y395 HydrophobicContact SD-CD2 4.21Å; M385-Y395 HydrophobicContact SD-CG 3.8Å; Y388-Y395 WeakPolarHBondContact O-CE2 3.45Å; Y388-Y395 PolarHBondContact O-OH 3.38Å; F391-Y395 HydrophobicContact CB-CE1 4.34Å; F391-Y395 HydrophobicContact CB-CE2 4.12Å; F391-Y395 HydrophobicContact CD2-CE2 4.47Å; F391-Y395 PolarHBondContact O-N 3.2Å; P392-Y395 PolarHBondContact O-N 2.8Å; Y395-P397 VanDerWaalsContact C-CD 3.48Å; Y395-I398 CarbonylContact O-C 3.46Å; Y395-I398 WeakPolarHBondContact O-CA 3.47Å; Y395-I398 WeakPolarHBondContact O-CB 3.39Å; Y395-I398 PolarHBondContact O-N 3.49Å; Y395-L399 WeakPolarHBondContact O-CG 3.44Å; Y395-L399 PolarHBondContact O-N 2.84Å |
| 396 | E | 90.3 | Very high | 88 | Confident | 114 Ų | 114 | 57.6 Ų | 57.6 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.8 | -44.3 | 179.6 | -159.1 | 73.2 | 170.2 | 0 | 0 | 113.5 | P392 I398 L399 E400 | P392-E396 PolarHBondContact O-N 3.26Å; E396-I398 VanDerWaalsContact C-N 3.28Å; E396-I398 PolarHBondContact O-N 2.85Å; E396-L399 PolarHBondContact O-N 2.91Å; E396-E400 PolarHBondContact O-N 3.42Å |
| 397 | P | 92.8 | Very high | 88.1 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -29.2 | 176.8 | -19.6 | 34.1 | 0 | 0 | 0 | 113.3 | V356 Y395 A401 | V356-P397 HydrophobicContact CG2-CB 4.15Å; Y395-P397 VanDerWaalsContact C-CD 3.48Å; P397-A401 WeakPolarHBondContact O-CB 3.46Å; P397-A401 PolarHBondContact O-N 3.25Å |
| 398 | I | 93.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.8 | -46.9 | 174.8 | -70.4 | 175 | 0 | 0 | 0 | 109.6 | V352 V355 V356 I381 M385 Y395 E396 E400 A401 I402 | V352-I398 HydrophobicContact CB-CD1 4.28Å; V352-I398 HydrophobicContact CG1-CD1 3.94Å; V352-I398 HydrophobicContact CG2-CD1 4.01Å; V355-I398 HydrophobicContact CB-CD1 3.89Å; V355-I398 HydrophobicContact CB-CG1 4.11Å; V355-I398 HydrophobicContact CG1-CD1 4.12Å; V355-I398 HydrophobicContact CG1-CG1 4.08Å; V355-I398 HydrophobicContact CG1-CG2 4.06Å; V355-I398 HydrophobicContact CG2-CD1 4.19Å; V356-I398 HydrophobicContact CG2-CG1 3.82Å; I381-I398 HydrophobicContact CG2-CG2 3.71Å; M385-I398 HydrophobicContact CE-CG2 4.32Å; M385-I398 HydrophobicContact SD-CB 4.42Å; M385-I398 HydrophobicContact SD-CG2 3.89Å; Y395-I398 CarbonylContact O-C 3.46Å; Y395-I398 WeakPolarHBondContact O-CA 3.47Å; Y395-I398 WeakPolarHBondContact O-CB 3.39Å; Y395-I398 PolarHBondContact O-N 3.49Å; E396-I398 VanDerWaalsContact C-N 3.28Å; E396-I398 PolarHBondContact O-N 2.85Å; I398-E400 VanDerWaalsContact C-N 3.33Å; I398-E400 PolarHBondContact O-N 3.5Å; I398-A401 WeakPolarHBondContact O-CB 3.4Å; I398-A401 PolarHBondContact O-N 3.28Å; I398-A401 VanDerWaalsContact O-N 3.1Å; I398-I402 HydrophobicContact CG2-CD1 4.1Å; I398-I402 HydrophobicContact CG2-CG2 4.39Å; I398-I402 WeakPolarHBondContact O-CG1 3.48Å; I398-I402 WeakPolarHBondContact O-CG2 3.2Å; I398-I402 PolarHBondContact O-N 2.92Å |
| 399 | L | 91.9 | Very high | 88.6 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 177.8 | -71 | 169.3 | 0 | 0 | 0 | 111.4 | M385 Y395 E396 A401 I402 K403 | M385-L399 HydrophobicContact CE-CD2 3.64Å; M385-L399 HydrophobicContact CE-CG 4.28Å; M385-L399 HydrophobicContact SD-CD2 4.4Å; M385-L399 HydrophobicContact SD-CG 4.44Å; Y395-L399 WeakPolarHBondContact O-CG 3.44Å; Y395-L399 PolarHBondContact O-N 2.84Å; E396-L399 PolarHBondContact O-N 2.91Å; L399-A401 VanDerWaalsContact C-N 3.35Å; L399-A401 PolarHBondContact O-N 2.9Å; L399-I402 PolarHBondContact O-N 3.11Å; L399-K403 WeakPolarHBondContact O-CB 3.38Å; L399-K403 PolarHBondContact O-N 3.49Å |
| 400 | E | 92.1 | Very high | 88.9 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -33.2 | 175.3 | -89 | -69.1 | 105 | 0 | 0 | 113.6 | E396 I398 K403 | E396-E400 PolarHBondContact O-N 3.42Å; I398-E400 VanDerWaalsContact C-N 3.33Å; I398-E400 PolarHBondContact O-N 3.5Å; E400-K403 WeakPolarHBondContact O-CD 3.49Å; E400-K403 VanDerWaalsContact O-CE 3.32Å; E400-K403 WeakPolarHBondContact O-CE 3.47Å; E400-K403 WeakPolarHBondContact O-CG 3.34Å; E400-K403 WeakPolarHBondContact OE1-CD 3.28Å; E400-K403 IonicContact OE1-NZ 2.75Å; E400-K403 PolarHBondContact OE1-NZ 3.01Å; E400-K403 IonicContact OE2-NZ 3.76Å; E400-K403 PolarHBondContact OE2-NZ 3.4Å |
| 401 | A | 92.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 71 Ų | 71 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V356 V359 K363 P397 I398 L399 | V356-A401 HydrophobicContact CG1-CB 4.3Å; V359-A401 HydrophobicContact CG1-CB 4.12Å; K363-A401 PolarHBondContact NZ-O 3.42Å; P397-A401 WeakPolarHBondContact O-CB 3.46Å; P397-A401 PolarHBondContact O-N 3.25Å; I398-A401 WeakPolarHBondContact O-CB 3.4Å; I398-A401 PolarHBondContact O-N 3.28Å; I398-A401 VanDerWaalsContact O-N 3.1Å; L399-A401 VanDerWaalsContact C-N 3.35Å; L399-A401 PolarHBondContact O-N 2.9Å |
| 402 | I | 93.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -96.9 | -2.3 | -171.5 | 75.9 | -179.4 | 0 | 0 | 0 | 115 | V359 T378 I381 M385 I398 L399 D404 F405 | V359-I402 HydrophobicContact CG1-CG2 4.11Å; V359-I402 HydrophobicContact CG2-CG2 3.99Å; T378-I402 HydrophobicContact CG2-CB 3.66Å; T378-I402 HydrophobicContact CG2-CD1 4.46Å; T378-I402 HydrophobicContact CG2-CG2 3.61Å; I381-I402 HydrophobicContact CG2-CD1 4.47Å; M385-I402 HydrophobicContact CE-CD1 3.97Å; I398-I402 HydrophobicContact CG2-CD1 4.1Å; I398-I402 HydrophobicContact CG2-CG2 4.39Å; I398-I402 WeakPolarHBondContact O-CG1 3.48Å; I398-I402 WeakPolarHBondContact O-CG2 3.2Å; I398-I402 PolarHBondContact O-N 2.92Å; L399-I402 PolarHBondContact O-N 3.11Å; I402-D404 PolarHBondContact O-N 2.98Å; I402-F405 HydrophobicContact CB-CD2 4.44Å; I402-F405 WeakPolarHBondContact O-CB 3.45Å; I402-F405 PolarHBondContact O-N 3.26Å |
| 403 | K | 91.4 | Very high | 89.7 | Confident | 119 Ų | 119 | 69 Ų | 69 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.9 | -173.9 | 64.1 | -172.9 | 167.6 | -173.4 | 0 | 116.9 | L399 E400 F405 | L399-K403 WeakPolarHBondContact O-CB 3.38Å; L399-K403 PolarHBondContact O-N 3.49Å; E400-K403 WeakPolarHBondContact O-CD 3.49Å; E400-K403 VanDerWaalsContact O-CE 3.32Å; E400-K403 WeakPolarHBondContact O-CE 3.47Å; E400-K403 WeakPolarHBondContact O-CG 3.34Å; E400-K403 WeakPolarHBondContact OE1-CD 3.28Å; E400-K403 IonicContact OE1-NZ 2.75Å; E400-K403 PolarHBondContact OE1-NZ 3.01Å; E400-K403 IonicContact OE2-NZ 3.76Å; E400-K403 PolarHBondContact OE2-NZ 3.4Å; K403-F405 VanDerWaalsContact C-N 3.32Å |
| 404 | D | 90 | Very high | 89.9 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 62% | 0.615 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -1.1 | 179.5 | -51.7 | -65 | 0 | 0 | 0 | 113.3 | K363 I402 | K363-D404 WeakPolarHBondContact CE-OD2 3.45Å; K363-D404 IonicContact NZ-OD2 2.69Å; K363-D404 PolarHBondContact NZ-OD2 3.28Å; I402-D404 PolarHBondContact O-N 2.98Å |
| 405 | F | 92.6 | Very high | 90 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -101.8 | 158.2 | 179.4 | -65.4 | -84.8 | 0 | 0 | 0 | 112.5 | V359 K363 T371 L374 V375 T378 I402 K403 K407 | V359-F405 HydrophobicContact CG1-CE2 4.41Å; K363-F405 HydrophobicContact CB-CZ 4.45Å; K363-F405 HydrophobicContact CD-CE2 4.1Å; K363-F405 HydrophobicContact CG-CE2 4.17Å; K363-F405 HydrophobicContact CG-CZ 4.14Å; T371-F405 HydrophobicContact CG2-CE1 4.35Å; L374-F405 HydrophobicContact CB-CD1 4.2Å; L374-F405 HydrophobicContact CB-CE1 3.53Å; L374-F405 HydrophobicContact CB-CZ 3.72Å; L374-F405 HydrophobicContact CD1-CE1 4.16Å; L374-F405 HydrophobicContact CD1-CE2 4.28Å; L374-F405 HydrophobicContact CD1-CZ 3.54Å; L374-F405 HydrophobicContact CG-CZ 4.28Å; V375-F405 HydrophobicContact CG2-CD1 3.96Å; T378-F405 HydrophobicContact CG2-CB 3.9Å; T378-F405 HydrophobicContact CG2-CD2 4.01Å; T378-F405 HydrophobicContact CG2-CG 3.93Å; I402-F405 HydrophobicContact CB-CD2 4.44Å; I402-F405 WeakPolarHBondContact O-CB 3.45Å; I402-F405 PolarHBondContact O-N 3.26Å; K403-F405 VanDerWaalsContact C-N 3.32Å; F405-K407 PolarHBondContact O-N 3.44Å; F405-K407 VanDerWaalsContact O-N 3.16Å |
| 406 | P | 91.1 | Very high | 89.6 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | trans | -66.1 | 114.8 | -177.2 | -20.5 | 33.7 | 0 | 0 | 0 | 112.8 | V375 | V375-P406 HydrophobicContact CG1-CG 4.3Å; V375-P406 HydrophobicContact CG2-CG 4.42Å | ||
| 407 | K | 91.1 | Very high | 89.1 | Confident | 162 Ų | 162 | 68.8 Ų | 68.8 | 70% | 0.704 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 123.2 | 170.4 | -177.5 | 177.3 | 177.5 | 179.3 | 0 | 110.3 | F405 | F405-K407 PolarHBondContact O-N 3.44Å; F405-K407 VanDerWaalsContact O-N 3.16Å |
| 408 | P | 92.1 | Very high | 88.4 | Confident | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.071 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.8 | 176.7 | 27.6 | -33.9 | 0 | 0 | 0 | 111.8 | E379 H382 K412 I413 | E379-P408 HydrophobicContact CG-CB 4.31Å; E379-P408 HydrophobicContact CG-CG 4.21Å; H382-P408 HydrophobicContact CB-CG 3.77Å; P408-K412 HydrophobicContact CB-CD 4.23Å; P408-I413 HydrophobicContact CB-CG1 4.1Å; P408-I413 HydrophobicContact CG-CD1 4.07Å; P408-I413 HydrophobicContact CG-CG1 3.81Å |
| 409 | S | 90.4 | Very high | 86.9 | Confident | 65 Ų | 65 | 78.9 Ų | 78.9 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 153 | 174.7 | 68 | 0 | 0 | 0 | 0 | 111.5 | E411 K412 I413 | S409-E411 PolarHBondContact O-N 3.34Å; S409-K412 WeakPolarHBondContact O-CB 3.47Å; S409-K412 PolarHBondContact O-N 2.98Å; S409-K412 WeakPolarHBondContact OG-CB 3.42Å; S409-K412 PolarHBondContact OG-N 3.23Å; S409-I413 WeakPolarHBondContact O-CG1 3.16Å; S409-I413 PolarHBondContact O-N 3.29Å |
| 410 | E | 87.9 | Confident | 85.1 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -35.2 | 179.4 | -175.6 | 174 | 171.3 | 0 | 0 | 112.7 | Y386 I413 K414 | Y386-E410 HydrophobicContact CE2-CG 3.73Å; Y386-E410 PolarHBondContact OH-OE1 3.17Å; E410-I413 PolarHBondContact O-N 2.87Å; E410-K414 HydrophobicContact CG-CD 4.19Å; E410-K414 WeakPolarHBondContact O-CB 3.34Å; E410-K414 WeakPolarHBondContact O-CG 3.26Å; E410-K414 PolarHBondContact O-N 2.91Å; E410-K414 IonicContact OE1-NZ 2.73Å; E410-K414 PolarHBondContact OE1-NZ 2.59Å |
| 411 | E | 85 | Confident | 83.8 | Confident | 160 Ų | 160 | 74.8 Ų | 74.8 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 173.9 | -61.2 | 178.7 | 162.5 | 0 | 0 | 111.9 | S409 K414 L415 | S409-E411 PolarHBondContact O-N 3.34Å; E411-K414 PolarHBondContact O-N 2.94Å; E411-L415 WeakPolarHBondContact O-CB 3.42Å; E411-L415 PolarHBondContact O-N 3.05Å |
| 412 | K | 85.8 | Confident | 82.5 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 176 | -171.4 | -179.5 | 178.5 | -170.4 | 0 | 111.2 | E379 P408 S409 L415 I416 | E379-K412 WeakPolarHBondContact OE1-CE 3.23Å; E379-K412 IonicContact OE1-NZ 2.71Å; E379-K412 PolarHBondContact OE1-NZ 3.09Å; E379-K412 WeakPolarHBondContact OE2-CE 3.48Å; E379-K412 IonicContact OE2-NZ 3.46Å; E379-K412 PolarHBondContact OE2-NZ 2.71Å; P408-K412 HydrophobicContact CB-CD 4.23Å; S409-K412 WeakPolarHBondContact O-CB 3.47Å; S409-K412 PolarHBondContact O-N 2.98Å; S409-K412 WeakPolarHBondContact OG-CB 3.42Å; S409-K412 PolarHBondContact OG-N 3.23Å; K412-L415 PolarHBondContact O-N 2.96Å; K412-I416 HydrophobicContact CG-CD1 3.98Å; K412-I416 VanDerWaalsContact O-CG1 3.28Å; K412-I416 WeakPolarHBondContact O-CG1 3.18Å; K412-I416 PolarHBondContact O-N 3.42Å |
| 413 | I | 86.3 | Confident | 80.6 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.036 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 175.3 | -65.5 | 165.8 | 0 | 0 | 0 | 110.5 | C383 Y386 P408 S409 E410 L415 I416 L417 | C383-I413 HydrophobicContact CB-CG2 4.27Å; Y386-I413 HydrophobicContact CD1-CG2 3.53Å; Y386-I413 HydrophobicContact CD2-CD1 4.34Å; Y386-I413 HydrophobicContact CE1-CG2 4.27Å; Y386-I413 HydrophobicContact CG-CD1 4.27Å; Y386-I413 HydrophobicContact CG-CG2 3.76Å; P408-I413 HydrophobicContact CB-CG1 4.1Å; P408-I413 HydrophobicContact CG-CD1 4.07Å; P408-I413 HydrophobicContact CG-CG1 3.81Å; S409-I413 WeakPolarHBondContact O-CG1 3.16Å; S409-I413 PolarHBondContact O-N 3.29Å; E410-I413 PolarHBondContact O-N 2.87Å; I413-L415 VanDerWaalsContact C-N 3.31Å; I413-L415 PolarHBondContact O-N 3.43Å; I413-I416 PolarHBondContact O-N 3.25Å; I413-L417 HydrophobicContact CG2-CD1 3.76Å; I413-L417 HydrophobicContact CG2-CG 4.36Å; I413-L417 WeakPolarHBondContact O-CG 3.4Å; I413-L417 PolarHBondContact O-N 2.93Å |
| 414 | K | 83.5 | Confident | 78.1 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 40% | 0.404 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 176.9 | -78.1 | 167.6 | 169.6 | 159.2 | 0 | 112.2 | Y386 E410 E411 N418 | Y386-K414 HydrophobicContact CE1-CG 4.49Å; Y386-K414 WeakPolarHBondContact OH-CE 3.05Å; Y386-K414 PolarHBondContact OH-NZ 3.3Å; E410-K414 HydrophobicContact CG-CD 4.19Å; E410-K414 WeakPolarHBondContact O-CB 3.34Å; E410-K414 WeakPolarHBondContact O-CG 3.26Å; E410-K414 PolarHBondContact O-N 2.91Å; E410-K414 IonicContact OE1-NZ 2.73Å; E410-K414 PolarHBondContact OE1-NZ 2.59Å; E411-K414 PolarHBondContact O-N 2.94Å; K414-N418 WeakPolarHBondContact O-CB 3.4Å; K414-N418 VanDerWaalsContact O-CG 3.24Å; K414-N418 PolarHBondContact O-N 3.15Å; K414-N418 PolarHBondContact O-ND2 3.11Å |
| 415 | L | 84 | Confident | 75.6 | Confident | 106 Ų | 106 | 76 Ų | 76 | 56% | 0.555 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 176.6 | -177.4 | 63 | 0 | 0 | 0 | 112.2 | E411 K412 I413 Q419 | E411-L415 WeakPolarHBondContact O-CB 3.42Å; E411-L415 PolarHBondContact O-N 3.05Å; K412-L415 PolarHBondContact O-N 2.96Å; I413-L415 VanDerWaalsContact C-N 3.31Å; I413-L415 PolarHBondContact O-N 3.43Å; L415-Q419 WeakPolarHBondContact O-CG 3.15Å |
| 416 | I | 82.6 | Confident | 72.8 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 178.8 | -70.4 | 167.8 | 0 | 0 | 0 | 110.8 | L339 E379 K412 I413 N418 Q419 | L339-I416 HydrophobicContact CD1-CG2 3.94Å; L339-I416 HydrophobicContact CD2-CG2 3.5Å; L339-I416 HydrophobicContact CG-CG2 4.41Å; E379-I416 HydrophobicContact CG-CD1 4.39Å; K412-I416 HydrophobicContact CG-CD1 3.98Å; K412-I416 VanDerWaalsContact O-CG1 3.28Å; K412-I416 WeakPolarHBondContact O-CG1 3.18Å; K412-I416 PolarHBondContact O-N 3.42Å; I413-I416 PolarHBondContact O-N 3.25Å; I416-N418 VanDerWaalsContact C-N 3.29Å; I416-N418 PolarHBondContact O-N 3.35Å; I416-Q419 PolarHBondContact O-N 3.48Å |
| 417 | L | 81.1 | Confident | 70.2 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 8% | 0.079 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.1 | -34.4 | -179.5 | -66.4 | 168.8 | 0 | 0 | 0 | 112.5 | L339 Q342 M384 Y386 H387 I413 Q419 | L339-L417 HydrophobicContact CD2-CD2 4.31Å; Q342-L417 PolarHBondContact NE2-O 3.07Å; M384-L417 HydrophobicContact CE-CD2 3.99Å; Y386-L417 HydrophobicContact CD1-CD1 4.23Å; H387-L417 HydrophobicContact CB-CD1 3.88Å; H387-L417 HydrophobicContact CB-CD2 3.97Å; I413-L417 HydrophobicContact CG2-CD1 3.76Å; I413-L417 HydrophobicContact CG2-CG 4.36Å; I413-L417 WeakPolarHBondContact O-CG 3.4Å; I413-L417 PolarHBondContact O-N 2.93Å; L417-Q419 PolarHBondContact O-N 3.18Å |
| 418 | N | 77.2 | Confident | 67.5 | Low | 137 Ų | 137 | 77 Ų | 77 | 73% | 0.733 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.1 | -179.4 | -78.7 | -41.1 | 0 | 0 | 0 | 115.2 | K414 I416 | K414-N418 WeakPolarHBondContact O-CB 3.4Å; K414-N418 VanDerWaalsContact O-CG 3.24Å; K414-N418 PolarHBondContact O-N 3.15Å; K414-N418 PolarHBondContact O-ND2 3.11Å; I416-N418 VanDerWaalsContact C-N 3.29Å; I416-N418 PolarHBondContact O-N 3.35Å |
| 419 | Q | 61.8 | Low | 64.8 | Low | 148 Ų | 148 | 84.1 Ų | 84.1 | 69% | 0.692 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -20.1 | -170.4 | -73.9 | 179.8 | 13.8 | 0 | 0 | 115.3 | L415 I416 L417 | L415-Q419 WeakPolarHBondContact O-CG 3.15Å; I416-Q419 PolarHBondContact O-N 3.48Å; L417-Q419 PolarHBondContact O-N 3.18Å |
| 420 | S | 54.1 | Low | 62.2 | Low | 32 Ų | 32 | 81.9 Ų | 81.9 | 22% | 0.224 | 44% | 0.443 | C | S | . | . | trans | -158 | 114.2 | -175 | 53.9 | 0 | 0 | 0 | 0 | 111 | L339 S340 Q342 | L339-S420 CarbonylContact C-O 3.59Å; S340-S420 WeakPolarHBondContact CA-O 3.13Å; Q342-S420 PolarHBondContact NE2-O 2.87Å | ||
| 421 | A | 66.3 | Low | 59.6 | Low | 51 Ų | 51 | 81 Ų | 81 | 42% | 0.421 | 45% | 0.448 | S | S | . | . | trans | -137.8 | 132.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q342 T423 | Q342-A421 HydrophobicContact CB-CB 4.43Å; Q342-A421 HydrophobicContact CG-CB 4.11Å; A421-T423 PolarHBondContact O-N 3.22Å | ||
| 422 | W | 64.9 | Low | 57 | Low | 10 Ų | 10 | 78.3 Ų | 78.3 | 4% | 0.038 | 45% | 0.446 | C | S | . | . | trans | -84.7 | 106.3 | 167.6 | -63.2 | -28.8 | 0 | 0 | 0 | 108.2 | L294 F303 L306 T310 M337 S340 S424 | L294-W422 HydrophobicContact CB-CZ2 4.35Å; L294-W422 HydrophobicContact CD2-CH2 4.04Å; L294-W422 HydrophobicContact CD2-CZ2 4.06Å; F303-W422 HydrophobicContact CD1-CB 3.78Å; F303-W422 HydrophobicContact CD1-CG 4.11Å; F303-W422 HydrophobicContact CE1-CB 4.29Å; F303-W422 HydrophobicContact CE1-CG 4.49Å; L306-W422 HydrophobicContact CB-CD2 3.95Å; L306-W422 HydrophobicContact CB-CE3 3.86Å; L306-W422 HydrophobicContact CB-CH2 4.24Å; L306-W422 HydrophobicContact CB-CZ2 4.33Å; L306-W422 HydrophobicContact CB-CZ3 4.01Å; L306-W422 HydrophobicContact CD1-CD2 4.12Å; L306-W422 HydrophobicContact CD1-CG 4.22Å; L306-W422 HydrophobicContact CD1-CZ2 4.44Å; L306-W422 HydrophobicContact CD2-CH2 4.37Å; L306-W422 HydrophobicContact CD2-CZ2 4.04Å; T310-W422 WeakPolarHBondContact OG1-CZ3 3.22Å; M337-W422 HydrophobicContact CG-CH2 4.35Å; S340-W422 PolarHBondContact O-N 2.87Å; W422-S424 PolarHBondContact O-N 3.06Å | ||
| 423 | T | 54.4 | Low | 54.6 | Low | 70 Ų | 70 | 79.6 Ų | 79.6 | 43% | 0.429 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 117.3 | 178.7 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | F303 A421 | F303-T423 WeakPolarHBondContact CD2-O 3.24Å; F303-T423 WeakPolarHBondContact CG-O 3.32Å; A421-T423 PolarHBondContact O-N 3.22Å |
| 424 | S | 39 | Very low | 52.1 | Low | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 154.5 | 160.7 | 40.1 | 0 | 0 | 0 | 0 | 110.3 | W422 | W422-S424 PolarHBondContact O-N 3.06Š|
| 425 | Q | 35.7 | Very low | 50.1 | Low | 148 Ų | 148 | 87.5 Ų | 87.5 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -59.8 | 159.7 | -149.8 | -60.1 | 175.4 | 2.5 | 0 | 0 | 116 | T304 | T304-Q425 PolarHBondContact OG1-NE2 2.76Š|
| 426 | S | 33.7 | Very low | 48 | Very low | 116 Ų | 116 | 88.5 Ų | 88.5 | 81% | 0.811 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 85.1 | 25.4 | 167.3 | 78.3 | 0 | 0 | 0 | 0 | 120.8 | ||
| 427 | N | 37.2 | Very low | 46 | Very low | 85 Ų | 85 | 90.2 Ų | 90.2 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | trans | -124.8 | 19.6 | 174.4 | -96.7 | -39.9 | 0 | 0 | 0 | 116.6 | L429 A430 S431 | N427-L429 PolarHBondContact O-N 3.08Å; N427-A430 HydrophobicContact CB-CB 4.13Å; N427-A430 WeakPolarHBondContact O-CA 3.47Å; N427-A430 WeakPolarHBondContact O-CB 3.48Å; N427-A430 PolarHBondContact O-N 3.03Å; N427-A430 WeakPolarHBondContact OD1-CB 3.21Å; N427-S431 PolarHBondContact O-N 3.3Å | ||
| 428 | S | 33.7 | Very low | 44.5 | Very low | 87 Ų | 87 | 89.8 Ų | 89.8 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -34.8 | -177.1 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | A430 | S428-A430 PolarHBondContact O-N 2.86Š|
| 429 | L | 35.8 | Very low | 43.5 | Very low | 162 Ų | 162 | 85.8 Ų | 85.8 | 85% | 0.848 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.2 | 169.3 | -86.7 | 166.6 | 0 | 0 | 0 | 113.2 | N427 | N427-L429 PolarHBondContact O-N 3.08Š|
| 430 | A | 36.1 | Very low | 43.4 | Very low | 17 Ų | 17 | 80.1 Ų | 80.1 | 14% | 0.14 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -13.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N427 S428 C432 L433 S434 | N427-A430 HydrophobicContact CB-CB 4.13Å; N427-A430 WeakPolarHBondContact O-CA 3.47Å; N427-A430 WeakPolarHBondContact O-CB 3.48Å; N427-A430 PolarHBondContact O-N 3.03Å; N427-A430 WeakPolarHBondContact OD1-CB 3.21Å; S428-A430 PolarHBondContact O-N 2.86Å; A430-C432 PolarHBondContact O-N 3.5Å; A430-L433 CarbonylContact O-C 3.54Å; A430-L433 WeakPolarHBondContact O-CA 3.4Å; A430-L433 PolarHBondContact O-N 3.48Å; A430-S434 WeakPolarHBondContact CB-OG 3.44Å; A430-S434 WeakPolarHBondContact O-CB 3.3Å; A430-S434 PolarHBondContact O-N 3.4Å; A430-S434 PolarHBondContact O-OG 2.74Å |
| 431 | S | 32.7 | Very low | 43.7 | Very low | 85 Ų | 85 | 85.5 Ų | 85.5 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -22.8 | -175.4 | 65 | 0 | 0 | 0 | 0 | 115.4 | N427 | N427-S431 PolarHBondContact O-N 3.3Š|
| 432 | C | 31.8 | Very low | 44 | Very low | 103 Ų | 103 | 83.8 Ų | 83.8 | 70% | 0.696 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -12.3 | 169.4 | -76.1 | 0 | 0 | 0 | 0 | 115 | A430 | A430-C432 PolarHBondContact O-N 3.5Š|
| 433 | L | 35.4 | Very low | 44.6 | Very low | 115 Ų | 115 | 85.4 Ų | 85.4 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -25.5 | -177.5 | -63.7 | 174.5 | 0 | 0 | 0 | 113.7 | A430 R435 L436 | A430-L433 CarbonylContact O-C 3.54Å; A430-L433 WeakPolarHBondContact O-CA 3.4Å; A430-L433 PolarHBondContact O-N 3.48Å; L433-R435 PolarHBondContact O-N 3.04Å; L433-R435 VanDerWaalsContact O-N 3.13Å; L433-L436 WeakPolarHBondContact O-CB 3.27Å; L433-L436 PolarHBondContact O-N 3.29Å |
| 434 | S | 33.6 | Very low | 46 | Very low | 58 Ų | 58 | 84.3 Ų | 84.3 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -63.8 | -15.9 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | A430 L436 S437 | A430-S434 WeakPolarHBondContact CB-OG 3.44Å; A430-S434 WeakPolarHBondContact O-CB 3.3Å; A430-S434 PolarHBondContact O-N 3.4Å; A430-S434 PolarHBondContact O-OG 2.74Å; S434-L436 PolarHBondContact O-N 3.49Å; S434-S437 PolarHBondContact O-N 3.14Å |
| 435 | R | 41.8 | Very low | 48.4 | Very low | 208 Ų | 208 | 82 Ų | 82 | 79% | 0.785 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -64.4 | -3.2 | 167 | -55.5 | -171.6 | -168 | -153.9 | 2.8 | 113.2 | L433 | L433-R435 PolarHBondContact O-N 3.04Å; L433-R435 VanDerWaalsContact O-N 3.13Å |
| 436 | L | 39.2 | Very low | 51.1 | Low | 127 Ų | 127 | 75 Ų | 75 | 67% | 0.665 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -127.4 | 9.5 | 178.5 | -62.4 | 167.8 | 0 | 0 | 0 | 113.4 | L433 S434 | L433-L436 WeakPolarHBondContact O-CB 3.27Å; L433-L436 PolarHBondContact O-N 3.29Å; S434-L436 PolarHBondContact O-N 3.49Å |
| 437 | S | 40.1 | Very low | 53.9 | Low | 70 Ų | 70 | 69.5 Ų | 69.5 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | trans | -118 | 115.1 | 179.3 | -166.7 | 0 | 0 | 0 | 0 | 111 | S434 | S434-S437 PolarHBondContact O-N 3.14Š| ||
| 438 | G | 49.5 | Very low | 56.5 | Low | 6 Ų | 6 | 68.8 Ų | 68.8 | 6% | 0.062 | 39% | 0.387 | C | S | . | . | trans | -98.1 | 21.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q499 R500 E501 | G438-Q499 CarbonylContact C-O 3.54Å; G438-Q499 WeakPolarHBondContact CA-O 3.37Å; G438-R500 CarbonylContact O-C 3.47Å; G438-R500 VanDerWaalsContact O-C 3.25Å; G438-E501 WeakPolarHBondContact O-CA 3.42Å; G438-E501 WeakPolarHBondContact O-CG 3.45Å; G438-E501 PolarHBondContact O-N 2.73Å | ||
| 439 | K | 56.6 | Low | 59.2 | Low | 54 Ų | 54 | 67.2 Ų | 67.2 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -93.2 | 152.9 | 176.5 | -74.4 | -165.3 | 162.3 | -152.4 | 0 | 111.8 | A496 T498 | K439-A496 PolarHBondContact NZ-O 3.49Å; K439-T498 WeakPolarHBondContact CE-O 3.1Å |
| 440 | S | 59.8 | Low | 61.7 | Low | 28 Ų | 28 | 61.7 Ų | 61.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -53.3 | 148.6 | 164.2 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | T442 G443 K444 V921 | S440-T442 PolarHBondContact O-N 3.05Å; S440-T442 PolarHBondContact OG-N 3.21Å; S440-T442 PolarHBondContact OG-OG1 3.42Å; S440-G443 PolarHBondContact O-N 2.77Å; S440-K444 WeakPolarHBondContact CB-O 3.33Å; S440-V921 PolarHBondContact OG-O 3.04Å | ||
| 441 | E | 60.2 | Low | 64 | Low | 146 Ų | 146 | 62.3 Ų | 62.3 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.3 | 173 | -56.4 | -174.6 | 144.7 | 0 | 0 | 112.8 | G443 | E441-G443 VanDerWaalsContact C-N 3.29Å; E441-G443 PolarHBondContact O-N 3.02Å |
| 442 | T | 73.1 | Confident | 66.6 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 9% | 0.092 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.8 | 173.9 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | S440 K444 F914 V921 F923 | S440-T442 PolarHBondContact O-N 3.05Å; S440-T442 PolarHBondContact OG-N 3.21Å; S440-T442 PolarHBondContact OG-OG1 3.42Å; T442-K444 PolarHBondContact O-N 3.11Å; T442-K444 VanDerWaalsContact O-N 3.12Å; T442-K444 WeakPolarHBondContact OG1-CB 3.47Å; T442-K444 PolarHBondContact OG1-N 3.19Å; T442-F914 HydrophobicContact CG2-CD1 4.17Å; T442-F914 HydrophobicContact CG2-CE1 4.49Å; T442-V921 HydrophobicContact CG2-CG1 4.38Å; T442-V921 WeakPolarHBondContact CG2-O 3.45Å; T442-F923 HydrophobicContact CG2-CD1 4.45Å; T442-F923 HydrophobicContact CG2-CD2 3.83Å; T442-F923 HydrophobicContact CG2-CE2 3.89Å; T442-F923 HydrophobicContact CG2-CG 4.14Å; T442-F923 HydrophobicContact CG2-CZ 4.25Å |
| 443 | G | 76.8 | Confident | 69.5 | Low | 43 Ų | 43 | 56.3 Ų | 56.3 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 69.1 | -3.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S440 E441 | S440-G443 PolarHBondContact O-N 2.77Å; E441-G443 VanDerWaalsContact C-N 3.29Å; E441-G443 PolarHBondContact O-N 3.02Å |
| 444 | K | 85.4 | Confident | 72.2 | Confident | 47 Ų | 47 | 51 Ų | 51 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | trans | -88.8 | 164.5 | 177.2 | -49.6 | -58.1 | 177.1 | -178.6 | 0 | 111.5 | S440 T442 F914 F916 V921 | S440-K444 WeakPolarHBondContact CB-O 3.33Å; T442-K444 PolarHBondContact O-N 3.11Å; T442-K444 VanDerWaalsContact O-N 3.12Å; T442-K444 WeakPolarHBondContact OG1-CB 3.47Å; T442-K444 PolarHBondContact OG1-N 3.19Å; K444-F914 HydrophobicContact CD-CE1 4.4Å; K444-F914 VanDerWaalsContact CE-CE1 3.48Å; K444-F914 HydrophobicContact CG-CD1 3.82Å; K444-F914 HydrophobicContact CG-CE1 3.94Å; K444-F914 HydrophobicContact CG-CG 4.38Å; K444-F916 HydrophobicContact CB-CE1 4.21Å; K444-F916 HydrophobicContact CG-CE1 4.47Å; K444-F916 HydrophobicContact CG-CZ 4.46Å; K444-V921 HydrophobicContact CB-CB 4.27Å; K444-V921 HydrophobicContact CB-CG1 3.88Å; K444-V921 HydrophobicContact CB-CG2 4.38Å; K444-V921 HydrophobicContact CG-CG1 4.21Å | ||
| 445 | T | 89.1 | Confident | 75.1 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | trans | -114.1 | 131.4 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | Q461 L495 T498 | T445-Q461 PolarHBondContact O-NE2 2.8Å; T445-L495 HydrophobicContact CG2-CD2 3.91Å; T445-L495 PolarHBondContact OG1-O 2.85Å; T445-T498 HydrophobicContact CG2-CG2 3.53Å | ||
| 446 | G | 91.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E501 A502 Y503 D918 | G446-E501 PolarHBondContact N-O 2.88Å; G446-A502 CarbonylContact O-C 3.52Å; G446-A502 VanDerWaalsContact O-CA 3.25Å; G446-A502 WeakPolarHBondContact O-CA 3.42Å; G446-Y503 PolarHBondContact O-N 3.19Å; G446-D918 CarbonylContact C-O 3.44Å; G446-D918 WeakPolarHBondContact CA-O 3.48Å |
| 447 | L | 93.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.9 | 172.2 | -72 | 175.6 | 0 | 0 | 0 | 110.7 | N449 N457 I460 Q461 L491 L495 Y503 P505 D918 S919 | L447-N449 PolarHBondContact O-N 2.93Å; L447-N457 HydrophobicContact CB-CB 3.97Å; L447-N457 HydrophobicContact CD1-CB 4.16Å; L447-N457 PolarHBondContact O-ND2 2.88Å; L447-I460 HydrophobicContact CD1-CB 4.05Å; L447-I460 HydrophobicContact CD1-CG2 3.83Å; L447-Q461 HydrophobicContact CD1-CG 4.1Å; L447-L491 HydrophobicContact CD2-CD1 4.04Å; L447-L495 HydrophobicContact CD2-CD1 4.42Å; L447-L495 HydrophobicContact CD2-CD2 3.82Å; L447-L495 HydrophobicContact CD2-CG 4.4Å; L447-L495 HydrophobicContact CG-CD2 4.19Å; L447-Y503 WeakPolarHBondContact CA-O 3.48Å; L447-Y503 HydrophobicContact CD2-CD1 4.44Å; L447-P505 HydrophobicContact CD2-CB 4.28Å; L447-P505 HydrophobicContact CD2-CG 4.19Å; L447-D918 PolarHBondContact N-O 3.44Å; L447-D918 CarbonylContact O-C 3.5Å; L447-D918 WeakPolarHBondContact O-CA 3.5Å; L447-D918 WeakPolarHBondContact O-CB 3.03Å; L447-S919 PolarHBondContact O-N 3.02Å; L447-S919 VanDerWaalsContact O-N 3.17Å |
| 448 | I | 92 | Very high | 83 | Confident | 71 Ų | 71 | 29.6 Ų | 29.6 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | trans | -66.9 | 125 | 179.7 | -62.6 | 174 | 0 | 0 | 0 | 109.2 | L450 A502 Y503 A504 | I448-L450 PolarHBondContact O-N 2.96Å; I448-A502 HydrophobicContact CD1-CB 4.33Å; I448-A502 HydrophobicContact CG1-CB 3.68Å; I448-Y503 PolarHBondContact N-O 3.33Å; I448-A504 HydrophobicContact CB-CB 4.38Å; I448-A504 HydrophobicContact CD1-CB 4.21Å | ||
| 449 | N | 90.7 | Very high | 85.2 | Confident | 53 Ų | 53 | 29.4 Ų | 29.4 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | trans | -66.2 | 123.8 | 173.2 | -164.6 | -40.6 | 0 | 0 | 0 | 109.8 | L447 G451 N452 T453 D918 | L447-N449 PolarHBondContact O-N 2.93Å; N449-G451 VanDerWaalsContact C-N 3.3Å; N449-G451 WeakPolarHBondContact OD1-CA 3.35Å; N449-G451 PolarHBondContact OD1-N 3.22Å; N449-N452 PolarHBondContact OD1-N 3.18Å; N449-N452 VanDerWaalsContact OD1-N 3.07Å; N449-T453 PolarHBondContact OD1-N 3.18Å; N449-T453 PolarHBondContact OD1-OG1 3.05Å; N449-D918 HydrophobicContact CB-CB 4.23Å; N449-D918 WeakPolarHBondContact CB-OD2 3.42Å; N449-D918 PolarHBondContact ND2-OD2 3.4Å | ||
| 450 | L | 88.3 | Confident | 87.1 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -93.8 | 12.6 | -177.4 | -57 | 174.9 | 0 | 0 | 0 | 112.6 | I448 T453 A504 P505 R506 F509 | I448-L450 PolarHBondContact O-N 2.96Å; L450-T453 HydrophobicContact CB-CG2 3.88Å; L450-T453 PolarHBondContact N-OG1 3.27Å; L450-A504 HydrophobicContact CD2-CB 4.44Å; L450-P505 HydrophobicContact CD1-CG 4.28Å; L450-R506 HydrophobicContact CD1-CB 4.4Å; L450-R506 HydrophobicContact CD1-CG 3.84Å; L450-R506 HydrophobicContact CD2-CG 3.93Å; L450-F509 HydrophobicContact CD1-CB 4.14Å; L450-F509 HydrophobicContact CD1-CD1 4.37Å; L450-F509 HydrophobicContact CD1-CG 4.35Å |
| 451 | G | 83.4 | Confident | 88.8 | Confident | 30 Ų | 30 | 25.8 Ų | 25.8 | 31% | 0.309 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 106 | 98.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N449 T453 | N449-G451 VanDerWaalsContact C-N 3.3Å; N449-G451 WeakPolarHBondContact OD1-CA 3.35Å; N449-G451 PolarHBondContact OD1-N 3.22Å; G451-T453 VanDerWaalsContact C-N 3.27Å; G451-T453 PolarHBondContact O-N 3.1Å |
| 452 | N | 88.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 19.2 Ų | 19.2 | 32% | 0.321 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 57.8 | 28.4 | -175.2 | -70.9 | -40.1 | 0 | 0 | 0 | 114.8 | N449 Y455 R520 S521 Q522 | N449-N452 PolarHBondContact OD1-N 3.18Å; N449-N452 VanDerWaalsContact OD1-N 3.07Å; N452-Y455 VanDerWaalsContact O-CD1 3.22Å; N452-Y455 WeakPolarHBondContact O-CD1 3.36Å; N452-Y455 WeakPolarHBondContact O-CE1 3.21Å; N452-R520 PolarHBondContact ND2-O 2.92Å; N452-S521 WeakPolarHBondContact CB-O 3.42Å; N452-Q522 HydrophobicContact CB-CG 3.87Å; N452-Q522 VanDerWaalsContact CG-CG 3.49Å; N452-Q522 WeakPolarHBondContact OD1-CG 3.27Å; N452-Q522 PolarHBondContact OD1-NE2 3.25Å |
| 453 | T | 91.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | trans | -97 | 13.3 | -178.3 | 70 | 0 | 0 | 0 | 0 | 115 | N449 L450 G451 Y455 M456 N457 F509 | N449-T453 PolarHBondContact OD1-N 3.18Å; N449-T453 PolarHBondContact OD1-OG1 3.05Å; L450-T453 HydrophobicContact CB-CG2 3.88Å; L450-T453 PolarHBondContact N-OG1 3.27Å; G451-T453 VanDerWaalsContact C-N 3.27Å; G451-T453 PolarHBondContact O-N 3.1Å; T453-Y455 PolarHBondContact O-N 3.44Å; T453-M456 PolarHBondContact O-N 2.87Å; T453-M456 VanDerWaalsContact O-N 3.13Å; T453-N457 PolarHBondContact O-N 3.47Å; T453-F509 HydrophobicContact CG2-CD2 4.08Å; T453-F509 HydrophobicContact CG2-CE2 3.65Å; T453-F509 HydrophobicContact CG2-CZ 3.93Å | ||
| 454 | C | 92.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -28.8 | -178.4 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | N457 S458 H857 | C454-N457 PolarHBondContact O-N 3.15Å; C454-S458 WeakPolarHBondContact O-CB 3.48Å; C454-S458 PolarHBondContact O-N 2.98Å; C454-S458 PolarHBondContact O-OG 3.19Å; C454-H857 WeakPolarHBondContact CB-CE1 3.22Å; C454-H857 WeakPolarHBondContact CB-ND1 3.25Å; C454-H857 PolarHBondContact SG-ND1 2.82Å |
| 455 | Y | 94.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 15 Ų | 15 | 2% | 0.024 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 172.7 | 69.3 | -92.4 | 0 | 0 | 0 | 111.8 | N452 T453 V459 F517 Q523 Y528 | N452-Y455 VanDerWaalsContact O-CD1 3.22Å; N452-Y455 WeakPolarHBondContact O-CD1 3.36Å; N452-Y455 WeakPolarHBondContact O-CE1 3.21Å; T453-Y455 PolarHBondContact O-N 3.44Å; Y455-V459 WeakPolarHBondContact O-CG2 3.48Å; Y455-V459 PolarHBondContact O-N 3.38Å; Y455-F517 HydrophobicContact CE2-CD2 4.13Å; Y455-F517 AromaticContact CE2-CE2 3.9Å; Y455-F517 HydrophobicContact CE2-CE2 3.9Å; Y455-Q523 HydrophobicContact CD1-CB 3.86Å; Y455-Q523 HydrophobicContact CD2-CB 4.21Å; Y455-Q523 HydrophobicContact CE1-CB 3.7Å; Y455-Q523 HydrophobicContact CE1-CG 3.89Å; Y455-Q523 HydrophobicContact CE2-CB 4.1Å; Y455-Q523 HydrophobicContact CG-CB 4.11Å; Y455-Y528 HydrophobicContact CD2-CD1 4.35Å; Y455-Y528 HydrophobicContact CD2-CD2 4.38Å; Y455-Y528 AromaticContact CD2-CG 3.9Å; Y455-Y528 HydrophobicContact CD2-CG 3.9Å; Y455-Y528 AromaticContact CE2-CD2 3.83Å; Y455-Y528 HydrophobicContact CE2-CD2 3.83Å; Y455-Y528 AromaticContact CE2-CG 3.83Å; Y455-Y528 HydrophobicContact CE2-CG 3.83Å |
| 456 | M | 95 | Very high | 92.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.6 | -47.8 | 175.3 | 170.9 | -171.7 | 74.8 | 0 | 0 | 110.4 | T453 S458 V459 I460 P505 F508 F509 Y528 | T453-M456 PolarHBondContact O-N 2.87Å; T453-M456 VanDerWaalsContact O-N 3.13Å; M456-S458 VanDerWaalsContact C-N 3.3Å; M456-S458 PolarHBondContact O-N 3.49Å; M456-V459 PolarHBondContact O-N 3.16Å; M456-I460 HydrophobicContact CG-CG1 4Å; M456-I460 WeakPolarHBondContact O-CB 3.3Å; M456-I460 WeakPolarHBondContact O-CG1 3.15Å; M456-I460 PolarHBondContact O-N 3.41Å; M456-P505 HydrophobicContact CE-CB 4.22Å; M456-P505 HydrophobicContact CE-CG 3.56Å; M456-F508 HydrophobicContact SD-CD1 4.29Å; M456-F509 HydrophobicContact CE-CB 4.07Å; M456-F509 HydrophobicContact CE-CD2 4.04Å; M456-F509 HydrophobicContact CE-CG 4.43Å; M456-F509 HydrophobicContact SD-CB 3.98Å; M456-F509 HydrophobicContact SD-CD2 3.77Å; M456-F509 HydrophobicContact SD-CG 4.37Å; M456-Y528 HydrophobicContact CB-CD1 4.3Å; M456-Y528 HydrophobicContact CB-CE1 3.89Å; M456-Y528 HydrophobicContact CG-CE1 3.72Å; M456-Y528 HydrophobicContact CG-CE2 4.49Å; M456-Y528 WeakPolarHBondContact CG-OH 3.45Å |
| 457 | N | 95.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | -175.3 | -70.4 | -12.7 | 0 | 0 | 0 | 111.6 | L447 T453 C454 I460 Q461 D918 | L447-N457 HydrophobicContact CB-CB 3.97Å; L447-N457 HydrophobicContact CD1-CB 4.16Å; L447-N457 PolarHBondContact O-ND2 2.88Å; T453-N457 PolarHBondContact O-N 3.47Å; C454-N457 PolarHBondContact O-N 3.15Å; N457-I460 PolarHBondContact O-N 3.02Å; N457-Q461 VanDerWaalsContact O-CG 3.28Å; N457-Q461 WeakPolarHBondContact O-CG 3.46Å; N457-Q461 PolarHBondContact O-N 3.44Å; N457-D918 WeakPolarHBondContact CB-OD1 3.13Å; N457-D918 PolarHBondContact ND2-OD1 3.24Å |
| 458 | S | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | C454 M456 A462 Y858 Y859 S860 | C454-S458 WeakPolarHBondContact O-CB 3.48Å; C454-S458 PolarHBondContact O-N 2.98Å; C454-S458 PolarHBondContact O-OG 3.19Å; M456-S458 VanDerWaalsContact C-N 3.3Å; M456-S458 PolarHBondContact O-N 3.49Å; S458-A462 WeakPolarHBondContact O-CB 3.31Å; S458-A462 PolarHBondContact O-N 3.04Å; S458-Y858 PolarHBondContact OG-O 3Å; S458-Y859 VanDerWaalsContact OG-CA 3.26Å; S458-Y859 WeakPolarHBondContact OG-CA 3.35Å; S458-Y859 PolarHBondContact OG-N 2.82Å; S458-S860 PolarHBondContact O-OG 3.18Å |
| 459 | V | 96.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.3 | 166 | 0 | 0 | 0 | 0 | 111.6 | Y455 M456 A462 L463 C525 Y528 L529 | Y455-V459 WeakPolarHBondContact O-CG2 3.48Å; Y455-V459 PolarHBondContact O-N 3.38Å; M456-V459 PolarHBondContact O-N 3.16Å; V459-A462 PolarHBondContact O-N 3.31Å; V459-L463 HydrophobicContact CG1-CD1 3.98Å; V459-L463 WeakPolarHBondContact O-CG 3.47Å; V459-L463 PolarHBondContact O-N 3.25Å; V459-C525 HydrophobicContact CG2-CB 3.95Å; V459-C525 WeakPolarHBondContact CG2-O 3.48Å; V459-Y528 HydrophobicContact CB-CD1 4.21Å; V459-Y528 HydrophobicContact CB-CE1 4.45Å; V459-Y528 HydrophobicContact CG1-CD1 4.09Å; V459-Y528 HydrophobicContact CG1-CE1 4.19Å; V459-Y528 HydrophobicContact CG2-CD1 4.44Å; V459-L529 HydrophobicContact CG1-CB 4.11Å; V459-L529 HydrophobicContact CG1-CD1 3.85Å; V459-L529 HydrophobicContact CG1-CG 4.47Å; V459-L529 HydrophobicContact CG2-CB 4.31Å |
| 460 | I | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | -179 | -67.3 | -63.8 | 0 | 0 | 0 | 111.8 | L447 M456 N457 L463 F464 L488 L491 F492 L495 F508 L532 | L447-I460 HydrophobicContact CD1-CB 4.05Å; L447-I460 HydrophobicContact CD1-CG2 3.83Å; M456-I460 HydrophobicContact CG-CG1 4Å; M456-I460 WeakPolarHBondContact O-CB 3.3Å; M456-I460 WeakPolarHBondContact O-CG1 3.15Å; M456-I460 PolarHBondContact O-N 3.41Å; N457-I460 PolarHBondContact O-N 3.02Å; I460-L463 PolarHBondContact O-N 3.26Å; I460-F464 VanDerWaalsContact O-CB 3.25Å; I460-F464 WeakPolarHBondContact O-CB 3.24Å; I460-F464 PolarHBondContact O-N 3.34Å; I460-L488 HydrophobicContact CD1-CD1 4.08Å; I460-L491 HydrophobicContact CG2-CD2 3.81Å; I460-L491 HydrophobicContact CG2-CG 4.4Å; I460-F492 HydrophobicContact CG2-CE1 4.28Å; I460-L495 HydrophobicContact CG2-CD1 4.32Å; I460-F508 HydrophobicContact CD1-CD1 4.47Å; I460-F508 HydrophobicContact CD1-CE1 3.48Å; I460-F508 VanDerWaalsContact CD1-CE1 3.48Å; I460-F508 HydrophobicContact CD1-CZ 3.81Å; I460-F508 HydrophobicContact CG1-CE1 4.02Å; I460-L532 HydrophobicContact CD1-CD2 3.8Å |
| 461 | Q | 95 | Very high | 92.4 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 173.4 | -66 | -73.6 | 22.7 | 0 | 0 | 111.7 | T445 L447 N457 L463 F464 M465 F916 | T445-Q461 PolarHBondContact O-NE2 2.8Å; L447-Q461 HydrophobicContact CD1-CG 4.1Å; N457-Q461 VanDerWaalsContact O-CG 3.28Å; N457-Q461 WeakPolarHBondContact O-CG 3.46Å; N457-Q461 PolarHBondContact O-N 3.44Å; Q461-L463 PolarHBondContact O-N 2.96Å; Q461-F464 PolarHBondContact O-N 3.44Å; Q461-M465 WeakPolarHBondContact O-CB 3.24Å; Q461-M465 WeakPolarHBondContact O-CG 3.28Å; Q461-M465 PolarHBondContact O-N 3.34Å; Q461-F916 HydrophobicContact CB-CB 4.07Å; Q461-F916 HydrophobicContact CB-CD1 3.99Å; Q461-F916 HydrophobicContact CB-CD2 4.33Å; Q461-F916 HydrophobicContact CB-CG 3.89Å; Q461-F916 HydrophobicContact CG-CB 4Å; Q461-F916 HydrophobicContact CG-CD1 3.76Å; Q461-F916 HydrophobicContact CG-CE1 4.47Å; Q461-F916 HydrophobicContact CG-CG 4Å |
| 462 | A | 95.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 7% | 0.066 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S458 V459 A466 S844 V846 | S458-A462 WeakPolarHBondContact O-CB 3.31Å; S458-A462 PolarHBondContact O-N 3.04Å; V459-A462 PolarHBondContact O-N 3.31Å; A462-A466 PolarHBondContact O-N 3.01Å; A462-S844 WeakPolarHBondContact CB-OG 3.48Å; A462-V846 HydrophobicContact CB-CG2 4.21Å |
| 463 | L | 95 | Very high | 92.6 | Very high | 5 Ų | 5 | 11 Ų | 11 | 3% | 0.026 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -72.4 | -34 | 176.1 | -69.8 | 172.5 | 0 | 0 | 0 | 113.3 | V459 I460 Q461 M465 A466 F469 F492 L529 L532 F590 | V459-L463 HydrophobicContact CG1-CD1 3.98Å; V459-L463 WeakPolarHBondContact O-CG 3.47Å; V459-L463 PolarHBondContact O-N 3.25Å; I460-L463 PolarHBondContact O-N 3.26Å; Q461-L463 PolarHBondContact O-N 2.96Å; L463-M465 VanDerWaalsContact C-N 3.33Å; L463-A466 WeakPolarHBondContact O-CB 3.44Å; L463-A466 PolarHBondContact O-N 2.9Å; L463-F469 HydrophobicContact CB-CD1 4.3Å; L463-F469 HydrophobicContact CB-CE1 4.13Å; L463-F469 HydrophobicContact CD2-CD1 4.4Å; L463-F469 HydrophobicContact CD2-CE1 4.28Å; L463-F492 HydrophobicContact CB-CZ 4.23Å; L463-L529 HydrophobicContact CD1-CD1 4.12Å; L463-L529 HydrophobicContact CD2-CD1 4.43Å; L463-L532 HydrophobicContact CD1-CD2 4.04Å; L463-F590 HydrophobicContact CD2-CE1 4.16Å; L463-F590 HydrophobicContact CD2-CE2 4.4Å; L463-F590 HydrophobicContact CD2-CZ 3.67Å |
| 464 | F | 94 | Very high | 92.4 | Very high | 13 Ų | 13 | 11.2 Ų | 11.2 | 6% | 0.057 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.1 | -31.8 | 176.3 | 176.7 | -103.3 | 0 | 0 | 0 | 112.6 | I460 Q461 R470 F492 L495 A496 | I460-F464 VanDerWaalsContact O-CB 3.25Å; I460-F464 WeakPolarHBondContact O-CB 3.24Å; I460-F464 PolarHBondContact O-N 3.34Å; Q461-F464 PolarHBondContact O-N 3.44Å; F464-R470 HydrophobicContact CD2-CG 4.05Å; F464-R470 HydrophobicContact CE2-CG 4.12Å; F464-R470 WeakPolarHBondContact O-CD 3.24Å; F464-R470 PolarHBondContact O-NH1 3.01Å; F464-F492 HydrophobicContact CB-CD1 4.21Å; F464-F492 HydrophobicContact CB-CE1 3.83Å; F464-F492 HydrophobicContact CB-CZ 4.25Å; F464-F492 HydrophobicContact CD2-CB 4.1Å; F464-F492 AromaticContact CD2-CD1 3.72Å; F464-F492 HydrophobicContact CD2-CD1 3.72Å; F464-F492 HydrophobicContact CD2-CD2 4.46Å; F464-F492 HydrophobicContact CD2-CE1 4.18Å; F464-F492 AromaticContact CD2-CG 3.86Å; F464-F492 HydrophobicContact CD2-CG 3.86Å; F464-F492 HydrophobicContact CE2-CB 4.31Å; F464-F492 WeakPolarHBondContact CE2-O 3.46Å; F464-F492 HydrophobicContact CG-CD1 4.43Å; F464-L495 HydrophobicContact CB-CD1 4.3Å; F464-L495 HydrophobicContact CD1-CB 4.46Å; F464-L495 HydrophobicContact CD1-CD1 4.44Å; F464-L495 HydrophobicContact CD2-CB 3.99Å; F464-L495 HydrophobicContact CD2-CD1 4.03Å; F464-L495 HydrophobicContact CE1-CB 4.11Å; F464-L495 HydrophobicContact CE2-CB 3.58Å; F464-L495 HydrophobicContact CE2-CD1 4.48Å; F464-L495 HydrophobicContact CG-CB 4.41Å; F464-L495 HydrophobicContact CG-CD1 4.01Å; F464-L495 HydrophobicContact CZ-CB 3.66Å; F464-A496 HydrophobicContact CE2-CB 4.39Å; F464-A496 HydrophobicContact CZ-CB 4.2Å |
| 465 | M | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -80.8 | -14.3 | 175.9 | -68.8 | -69.4 | -72.3 | 0 | 0 | 113.2 | Q461 L463 T467 A862 N864 F914 F916 | Q461-M465 WeakPolarHBondContact O-CB 3.24Å; Q461-M465 WeakPolarHBondContact O-CG 3.28Å; Q461-M465 PolarHBondContact O-N 3.34Å; L463-M465 VanDerWaalsContact C-N 3.33Å; M465-T467 VanDerWaalsContact C-N 3.32Å; M465-T467 PolarHBondContact O-N 3.49Å; M465-A862 HydrophobicContact CB-CB 3.71Å; M465-A862 HydrophobicContact CE-CB 4.29Å; M465-A862 HydrophobicContact CG-CB 3.82Å; M465-N864 HydrophobicContact CE-CB 4.29Å; M465-F914 HydrophobicContact CE-CD2 3.72Å; M465-F914 HydrophobicContact CE-CE2 4.18Å; M465-F916 HydrophobicContact CE-CE2 4.4Å; M465-F916 HydrophobicContact CE-CZ 4.26Å; M465-F916 HydrophobicContact CG-CE2 3.95Å; M465-F916 HydrophobicContact CG-CZ 3.79Å; M465-F916 HydrophobicContact SD-CE2 4.39Å; M465-F916 HydrophobicContact SD-CZ 3.84Å |
| 466 | A | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -69.9 | 87.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | A462 L463 D468 F469 R470 Y760 L945 | A462-A466 PolarHBondContact O-N 3.01Å; L463-A466 WeakPolarHBondContact O-CB 3.44Å; L463-A466 PolarHBondContact O-N 2.9Å; A466-D468 VanDerWaalsContact C-N 3.26Å; A466-D468 PolarHBondContact O-N 3.28Å; A466-F469 HydrophobicContact CB-CB 4.24Å; A466-F469 PolarHBondContact O-N 3.04Å; A466-R470 PolarHBondContact O-N 3.37Å; A466-Y760 HydrophobicContact CB-CD1 4.21Å; A466-Y760 HydrophobicContact CB-CE1 3.67Å; A466-Y760 HydrophobicContact CB-CE2 4.28Å; A466-L945 HydrophobicContact CB-CD2 4.16Å |
| 467 | T | 87.9 | Confident | 90.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -46.8 | -43.9 | -167.7 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | M465 R470 R471 Y760 N864 I865 | M465-T467 VanDerWaalsContact C-N 3.32Å; M465-T467 PolarHBondContact O-N 3.49Å; T467-R470 PolarHBondContact O-N 3.21Å; T467-R471 WeakPolarHBondContact O-CB 3.46Å; T467-R471 WeakPolarHBondContact O-CD 3.4Å; T467-R471 WeakPolarHBondContact O-CG 3.38Å; T467-R471 PolarHBondContact O-N 2.95Å; T467-Y760 PolarHBondContact N-OH 2.68Å; T467-N864 WeakPolarHBondContact CG2-OD1 3.42Å; T467-I865 PolarHBondContact OG1-O 3.49Å |
| 468 | D | 88.7 | Confident | 89.6 | Confident | 33 Ų | 33 | 23.5 Ų | 23.5 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -90 | -24.3 | -166.2 | -54.9 | -26.9 | 0 | 0 | 0 | 111.4 | A466 R471 Q472 Y760 K947 | A466-D468 VanDerWaalsContact C-N 3.26Å; A466-D468 PolarHBondContact O-N 3.28Å; D468-R471 IonicContact OD1-CZ 3.45Å; D468-R471 IonicContact OD1-NH1 2.75Å; D468-R471 PolarHBondContact OD1-NH1 3.24Å; D468-Q472 WeakPolarHBondContact O-CB 3.48Å; D468-Q472 VanDerWaalsContact O-CG 3.29Å; D468-Q472 WeakPolarHBondContact O-CG 3.14Å; D468-Q472 PolarHBondContact O-N 2.84Å; D468-Q472 VanDerWaalsContact O-N 3.12Å; D468-Q472 PolarHBondContact O-NE2 3.24Å; D468-Y760 PolarHBondContact N-OH 2.8Å; D468-K947 VanDerWaalsContact OD2-CE 3.24Å; D468-K947 WeakPolarHBondContact OD2-CE 3.24Å; D468-K947 IonicContact OD2-NZ 3.69Å; D468-K947 PolarHBondContact OD2-NZ 3.05Å |
| 469 | F | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -48.3 | 161 | 178.5 | -114.6 | 0 | 0 | 0 | 110.8 | L463 A466 R471 Q472 V473 L488 F492 L585 I586 M589 F590 | L463-F469 HydrophobicContact CB-CD1 4.3Å; L463-F469 HydrophobicContact CB-CE1 4.13Å; L463-F469 HydrophobicContact CD2-CD1 4.4Å; L463-F469 HydrophobicContact CD2-CE1 4.28Å; A466-F469 HydrophobicContact CB-CB 4.24Å; A466-F469 PolarHBondContact O-N 3.04Å; F469-R471 PolarHBondContact O-N 2.79Å; F469-Q472 PolarHBondContact O-N 3.32Å; F469-V473 HydrophobicContact CD1-CG2 4.41Å; F469-V473 HydrophobicContact CD2-CG2 4Å; F469-V473 HydrophobicContact CE1-CG2 4.08Å; F469-V473 HydrophobicContact CE2-CG2 3.62Å; F469-V473 HydrophobicContact CG-CG2 4.39Å; F469-V473 HydrophobicContact CZ-CG2 3.67Å; F469-V473 WeakPolarHBondContact O-CB 3.37Å; F469-V473 WeakPolarHBondContact O-CG2 3.26Å; F469-V473 PolarHBondContact O-N 3.25Å; F469-L488 HydrophobicContact CE1-CD2 4.22Å; F469-L488 HydrophobicContact CZ-CD2 3.96Å; F469-F492 HydrophobicContact CD1-CE2 4.06Å; F469-F492 HydrophobicContact CD1-CZ 4.3Å; F469-F492 AromaticContact CE1-CE2 3.9Å; F469-F492 HydrophobicContact CE1-CE2 3.9Å; F469-F492 AromaticContact CE1-CZ 3.97Å; F469-F492 HydrophobicContact CE1-CZ 3.97Å; F469-L585 HydrophobicContact CD2-CD2 4.28Å; F469-L585 HydrophobicContact CD2-CG 4.26Å; F469-L585 HydrophobicContact CE2-CD2 4.01Å; F469-L585 HydrophobicContact CE2-CG 4.17Å; F469-I586 HydrophobicContact CE2-CD1 3.96Å; F469-I586 HydrophobicContact CZ-CD1 4.4Å; F469-M589 HydrophobicContact CB-CG 4.49Å; F469-M589 HydrophobicContact CD2-CG 4.21Å; F469-F590 HydrophobicContact CB-CZ 4.27Å; F469-F590 HydrophobicContact CD1-CE2 4.47Å; F469-F590 HydrophobicContact CD1-CZ 4.22Å; F469-F590 AromaticContact CD2-CE2 3.77Å; F469-F590 HydrophobicContact CD2-CE2 3.77Å; F469-F590 HydrophobicContact CD2-CZ 4.15Å; F469-F590 AromaticContact CE2-CE2 3.92Å; F469-F590 HydrophobicContact CE2-CE2 3.92Å; F469-F590 HydrophobicContact CG-CE2 4.06Å; F469-F590 AromaticContact CG-CZ 3.96Å; F469-F590 HydrophobicContact CG-CZ 3.96Å; F469-F590 HydrophobicContact CZ-CE2 4.34Å |
| 470 | R | 91.2 | Very high | 86.3 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 6% | 0.06 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.7 | -51.6 | 176 | -177.3 | -174.7 | 69.2 | -123.3 | 11.9 | 111.5 | F464 A466 T467 Q472 V473 L474 F492 D969 | F464-R470 HydrophobicContact CD2-CG 4.05Å; F464-R470 HydrophobicContact CE2-CG 4.12Å; F464-R470 WeakPolarHBondContact O-CD 3.24Å; F464-R470 PolarHBondContact O-NH1 3.01Å; A466-R470 PolarHBondContact O-N 3.37Å; T467-R470 PolarHBondContact O-N 3.21Å; R470-Q472 PolarHBondContact O-N 3Å; R470-V473 PolarHBondContact O-N 3.03Å; R470-L474 HydrophobicContact CG-CD1 3.94Å; R470-L474 HydrophobicContact CG-CG 4.3Å; R470-L474 WeakPolarHBondContact O-CB 3.47Å; R470-L474 VanDerWaalsContact O-CG 3.31Å; R470-L474 WeakPolarHBondContact O-CG 3.44Å; R470-L474 PolarHBondContact O-N 3.33Å; R470-F492 HydrophobicContact CB-CD2 4.36Å; R470-F492 HydrophobicContact CB-CE2 4.4Å; R470-F492 HydrophobicContact CG-CD2 4.01Å; R470-D969 IonicContact CZ-OD1 3.41Å; R470-D969 IonicContact CZ-OD2 2.99Å; R470-D969 IonicContact NE-OD1 3.33Å; R470-D969 PolarHBondContact NE-OD1 2.99Å; R470-D969 IonicContact NE-OD2 2.79Å; R470-D969 PolarHBondContact NE-OD2 3.02Å; R470-D969 VanDerWaalsContact NH2-CG 3.33Å; R470-D969 IonicContact NH2-OD1 3.09Å; R470-D969 PolarHBondContact NH2-OD1 3.06Å; R470-D969 IonicContact NH2-OD2 3.46Å; R470-D969 PolarHBondContact NH2-OD2 3.45Å |
| 471 | R | 88.4 | Confident | 84.7 | Confident | 64 Ų | 64 | 34 Ų | 34 | 24% | 0.242 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 179.5 | -75.2 | 162.3 | 166.2 | 172.8 | -12.7 | 112.2 | T467 D468 F469 L474 S475 G968 | T467-R471 WeakPolarHBondContact O-CB 3.46Å; T467-R471 WeakPolarHBondContact O-CD 3.4Å; T467-R471 WeakPolarHBondContact O-CG 3.38Å; T467-R471 PolarHBondContact O-N 2.95Å; D468-R471 IonicContact OD1-CZ 3.45Å; D468-R471 IonicContact OD1-NH1 2.75Å; D468-R471 PolarHBondContact OD1-NH1 3.24Å; F469-R471 PolarHBondContact O-N 2.79Å; R471-L474 PolarHBondContact O-N 2.84Å; R471-S475 WeakPolarHBondContact O-CB 3.4Å; R471-S475 PolarHBondContact O-N 3.47Å; R471-S475 PolarHBondContact O-OG 2.95Å; R471-G968 PolarHBondContact NE-O 3.2Å; R471-G968 PolarHBondContact NH2-O 3.38Å |
| 472 | Q | 87.7 | Confident | 83.6 | Confident | 65 Ų | 65 | 40.2 Ų | 40.2 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 178.4 | -76.9 | 172.6 | 72.1 | 0 | 0 | 111.1 | D468 F469 R470 L474 S475 L476 L585 M589 | D468-Q472 WeakPolarHBondContact O-CB 3.48Å; D468-Q472 VanDerWaalsContact O-CG 3.29Å; D468-Q472 WeakPolarHBondContact O-CG 3.14Å; D468-Q472 PolarHBondContact O-N 2.84Å; D468-Q472 VanDerWaalsContact O-N 3.12Å; D468-Q472 PolarHBondContact O-NE2 3.24Å; F469-Q472 PolarHBondContact O-N 3.32Å; R470-Q472 PolarHBondContact O-N 3Å; Q472-L474 VanDerWaalsContact C-N 3.33Å; Q472-L474 PolarHBondContact O-N 3.46Å; Q472-S475 PolarHBondContact O-N 2.93Å; Q472-S475 PolarHBondContact O-OG 3.4Å; Q472-L476 WeakPolarHBondContact O-CG 3.35Å; Q472-L476 PolarHBondContact O-N 2.96Å; Q472-L585 HydrophobicContact CB-CD1 3.66Å; Q472-L585 HydrophobicContact CB-CD2 4.42Å; Q472-L585 HydrophobicContact CG-CD1 4.29Å; Q472-M589 PolarHBondContact NE2-SD 3.24Å |
| 473 | V | 88.3 | Confident | 83 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 174.7 | 170.7 | 0 | 0 | 0 | 0 | 112 | F469 R470 S475 L476 M485 L488 Q489 F492 L585 | F469-V473 HydrophobicContact CD1-CG2 4.41Å; F469-V473 HydrophobicContact CD2-CG2 4Å; F469-V473 HydrophobicContact CE1-CG2 4.08Å; F469-V473 HydrophobicContact CE2-CG2 3.62Å; F469-V473 HydrophobicContact CG-CG2 4.39Å; F469-V473 HydrophobicContact CZ-CG2 3.67Å; F469-V473 WeakPolarHBondContact O-CB 3.37Å; F469-V473 WeakPolarHBondContact O-CG2 3.26Å; F469-V473 PolarHBondContact O-N 3.25Å; R470-V473 PolarHBondContact O-N 3.03Å; V473-S475 VanDerWaalsContact C-N 3.3Å; V473-S475 PolarHBondContact O-N 3.5Å; V473-L476 PolarHBondContact O-N 3.5Å; V473-M485 HydrophobicContact CG1-SD 4.48Å; V473-M485 HydrophobicContact CG2-SD 4.1Å; V473-L488 HydrophobicContact CG1-CD2 4.41Å; V473-L488 HydrophobicContact CG1-CG 4.27Å; V473-L488 HydrophobicContact CG2-CD2 4.4Å; V473-Q489 HydrophobicContact CG1-CB 4.06Å; V473-Q489 WeakPolarHBondContact O-CG 3.45Å; V473-Q489 PolarHBondContact O-NE2 3.31Å; V473-F492 HydrophobicContact CB-CD2 4.02Å; V473-F492 HydrophobicContact CB-CE2 4.21Å; V473-F492 HydrophobicContact CG1-CD2 3.74Å; V473-F492 HydrophobicContact CG1-CE2 4.17Å; V473-F492 HydrophobicContact CG2-CE2 4.29Å; V473-L585 HydrophobicContact CG2-CD2 3.81Å |
| 474 | L | 87.3 | Confident | 82.7 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -33.1 | 177.8 | -70.9 | 179.9 | 0 | 0 | 0 | 112.6 | R470 R471 Q472 Q489 F492 A493 D969 P970 L972 | R470-L474 HydrophobicContact CG-CD1 3.94Å; R470-L474 HydrophobicContact CG-CG 4.3Å; R470-L474 WeakPolarHBondContact O-CB 3.47Å; R470-L474 VanDerWaalsContact O-CG 3.31Å; R470-L474 WeakPolarHBondContact O-CG 3.44Å; R470-L474 PolarHBondContact O-N 3.33Å; R471-L474 PolarHBondContact O-N 2.84Å; Q472-L474 VanDerWaalsContact C-N 3.33Å; Q472-L474 PolarHBondContact O-N 3.46Å; L474-Q489 PolarHBondContact O-NE2 3.47Å; L474-F492 HydrophobicContact CD2-CB 3.86Å; L474-F492 HydrophobicContact CG-CB 4.45Å; L474-A493 HydrophobicContact CD2-CB 4Å; L474-D969 HydrophobicContact CD1-CB 4.44Å; L474-P970 HydrophobicContact CB-CG 4.16Å; L474-L972 HydrophobicContact CB-CD2 4.35Å; L474-L972 HydrophobicContact CD1-CD2 4.38Å; L474-L972 HydrophobicContact CD2-CD2 3.92Å; L474-L972 HydrophobicContact CG-CD2 4.45Å |
| 475 | S | 85.8 | Confident | 82.4 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -78.7 | -9.6 | -179.9 | 73.5 | 0 | 0 | 0 | 0 | 115.9 | R471 Q472 V473 N477 | R471-S475 WeakPolarHBondContact O-CB 3.4Å; R471-S475 PolarHBondContact O-N 3.47Å; R471-S475 PolarHBondContact O-OG 2.95Å; Q472-S475 PolarHBondContact O-N 2.93Å; Q472-S475 PolarHBondContact O-OG 3.4Å; V473-S475 VanDerWaalsContact C-N 3.3Å; V473-S475 PolarHBondContact O-N 3.5Å; S475-N477 PolarHBondContact O-N 3.05Å |
| 476 | L | 82.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | trans | -68 | 128.7 | -176.6 | -65.2 | 178.4 | 0 | 0 | 0 | 112.5 | Q472 V473 L478 M485 Q489 L585 | Q472-L476 WeakPolarHBondContact O-CG 3.35Å; Q472-L476 PolarHBondContact O-N 2.96Å; V473-L476 PolarHBondContact O-N 3.5Å; L476-L478 HydrophobicContact CB-CD1 4.06Å; L476-L478 HydrophobicContact CB-CD2 4.26Å; L476-L478 HydrophobicContact CB-CG 3.82Å; L476-L478 HydrophobicContact CD1-CD1 4.29Å; L476-L478 PolarHBondContact O-N 3.34Å; L476-L478 VanDerWaalsContact O-N 3.09Å; L476-M485 HydrophobicContact CD1-CE 4.37Å; L476-M485 HydrophobicContact CD1-CG 3.5Å; L476-M485 VanDerWaalsContact CD1-CG 3.5Å; L476-M485 HydrophobicContact CD1-SD 3.93Å; L476-Q489 PolarHBondContact O-NE2 2.98Å; L476-L585 HydrophobicContact CD1-CD2 4.22Å | ||
| 477 | N | 77.1 | Confident | 82.1 | Confident | 129 Ų | 129 | 44.9 Ų | 44.9 | 69% | 0.69 | 26% | 0.256 | S | S | * | . | trans | -84.9 | 78.5 | 176.7 | -77.5 | -51.5 | 0 | 0 | 0 | 112.1 | S475 N479 Q973 | S475-N477 PolarHBondContact O-N 3.05Å; N477-N479 VanDerWaalsContact C-N 3.32Å; N477-N479 PolarHBondContact O-N 3.16Å; N477-Q973 PolarHBondContact OD1-NE2 3.28Å | ||
| 478 | L | 73.6 | Confident | 82.3 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | trans | -92 | 47.6 | -174.3 | -61.5 | 179.3 | 0 | 0 | 0 | 113.1 | L476 M485 K486 | L476-L478 HydrophobicContact CB-CD1 4.06Å; L476-L478 HydrophobicContact CB-CD2 4.26Å; L476-L478 HydrophobicContact CB-CG 3.82Å; L476-L478 HydrophobicContact CD1-CD1 4.29Å; L476-L478 PolarHBondContact O-N 3.34Å; L476-L478 VanDerWaalsContact O-N 3.09Å; L478-M485 HydrophobicContact CD1-CB 3.99Å; L478-M485 HydrophobicContact CD1-CG 3.73Å; L478-K486 HydrophobicContact CB-CB 4.16Å; L478-K486 HydrophobicContact CB-CD 4.2Å; L478-K486 HydrophobicContact CB-CG 4.16Å; L478-K486 HydrophobicContact CD1-CB 3.95Å; L478-K486 WeakPolarHBondContact O-CD 3.27Å; L478-K486 WeakPolarHBondContact O-CE 3.16Å; L478-K486 PolarHBondContact O-NZ 3.29Å | ||
| 479 | N | 63.2 | Low | 82.4 | Confident | 104 Ų | 104 | 43.3 Ų | 43.3 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | trans | -68.5 | 137 | -176.6 | -62.4 | 9.4 | 0 | 0 | 0 | 110.5 | N477 C481 Q973 | N477-N479 VanDerWaalsContact C-N 3.32Å; N477-N479 PolarHBondContact O-N 3.16Å; N479-C481 PolarHBondContact O-N 2.93Å; N479-Q973 PolarHBondContact OD1-NE2 3.44Å | ||
| 480 | G | 59.6 | Low | 82.3 | Confident | 85 Ų | 85 | 45.8 Ų | 45.8 | 88% | 0.876 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 71.5 | -23.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 481 | C | 62.1 | Low | 82.4 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -84.3 | 149.7 | -176.6 | 74.2 | 0 | 0 | 0 | 0 | 114.2 | N479 K486 | N479-C481 PolarHBondContact O-N 2.93Å; C481-K486 WeakPolarHBondContact O-CD 3.42Å | ||
| 482 | N | 71.7 | Confident | 82.6 | Confident | 135 Ų | 135 | 42 Ų | 42 | 72% | 0.722 | 25% | 0.245 | S | C | * | . | trans | -108.5 | 41.2 | 175.9 | -171.4 | 10.5 | 0 | 0 | 0 | 111.5 | K487 | N482-K487 WeakPolarHBondContact OD1-CE 3.4Å; N482-K487 PolarHBondContact OD1-NZ 3.36Å | ||
| 483 | S | 83.9 | Confident | 82.7 | Confident | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -72.9 | 161.7 | -178.7 | 61 | 0 | 0 | 0 | 0 | 112.7 | M485 K486 K487 | S483-M485 VanDerWaalsContact C-N 3.26Å; S483-M485 PolarHBondContact O-N 3.32Å; S483-K486 PolarHBondContact O-N 3.22Å; S483-K486 PolarHBondContact OG-N 3Å; S483-K487 PolarHBondContact O-N 3.23Å | ||
| 484 | L | 87.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 169.8 | -177.2 | 60.2 | 0 | 0 | 0 | 111 | K486 K487 L488 F508 A511 L532 R535 L536 E539 | L484-K486 VanDerWaalsContact C-N 3.32Å; L484-K486 PolarHBondContact O-N 3.32Å; L484-K487 WeakPolarHBondContact O-CB 3.4Å; L484-K487 PolarHBondContact O-N 3.14Å; L484-K487 VanDerWaalsContact O-N 3.08Å; L484-L488 PolarHBondContact O-N 2.97Å; L484-F508 HydrophobicContact CD1-CD2 4.12Å; L484-F508 HydrophobicContact CD1-CE2 3.7Å; L484-F508 HydrophobicContact CD1-CZ 4.46Å; L484-F508 HydrophobicContact CG-CE2 4.37Å; L484-A511 HydrophobicContact CD1-CB 3.97Å; L484-L532 HydrophobicContact CD2-CD1 3.92Å; L484-R535 HydrophobicContact CD2-CB 4.4Å; L484-R535 HydrophobicContact CD2-CG 3.95Å; L484-L536 HydrophobicContact CB-CD2 4.19Å; L484-L536 HydrophobicContact CD2-CD2 4.11Å; L484-L536 HydrophobicContact CD2-CG 4.33Å; L484-L536 HydrophobicContact CG-CD2 3.93Å; L484-E539 WeakPolarHBondContact CB-OE1 3.2Å; L484-E539 VanDerWaalsContact CB-OE2 3.3Å; L484-E539 WeakPolarHBondContact CB-OE2 3.43Å; L484-E539 PolarHBondContact N-OE2 3.18Å |
| 485 | M | 88.9 | Confident | 82.8 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 176.2 | -168.9 | 68.1 | 81.4 | 0 | 0 | 112.2 | V473 L476 L478 S483 K487 L488 Q489 L536 L585 | V473-M485 HydrophobicContact CG1-SD 4.48Å; V473-M485 HydrophobicContact CG2-SD 4.1Å; L476-M485 HydrophobicContact CD1-CE 4.37Å; L476-M485 HydrophobicContact CD1-CG 3.5Å; L476-M485 VanDerWaalsContact CD1-CG 3.5Å; L476-M485 HydrophobicContact CD1-SD 3.93Å; L478-M485 HydrophobicContact CD1-CB 3.99Å; L478-M485 HydrophobicContact CD1-CG 3.73Å; S483-M485 VanDerWaalsContact C-N 3.26Å; S483-M485 PolarHBondContact O-N 3.32Å; M485-K487 VanDerWaalsContact C-N 3.31Å; M485-K487 PolarHBondContact O-N 3.47Å; M485-L488 PolarHBondContact O-N 3.44Å; M485-L488 HydrophobicContact SD-CD2 4.34Å; M485-Q489 WeakPolarHBondContact O-CB 3.34Å; M485-Q489 PolarHBondContact O-N 2.89Å; M485-L536 HydrophobicContact CB-CD2 4.02Å; M485-L536 HydrophobicContact CE-CB 4.14Å; M485-L536 HydrophobicContact CE-CD2 3.91Å; M485-L536 HydrophobicContact CE-CG 4.45Å; M485-L536 HydrophobicContact SD-CD2 3.97Å; M485-L585 HydrophobicContact CE-CD2 4.06Å; M485-L585 HydrophobicContact SD-CD2 4.5Å |
| 486 | K | 86.9 | Confident | 82.9 | Confident | 42 Ų | 42 | 36.9 Ų | 36.9 | 18% | 0.183 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | 175.6 | -168.5 | 171.6 | -168.4 | 161.5 | 0 | 112.2 | L478 C481 S483 L484 Q489 H490 E975 | L478-K486 HydrophobicContact CB-CB 4.16Å; L478-K486 HydrophobicContact CB-CD 4.2Å; L478-K486 HydrophobicContact CB-CG 4.16Å; L478-K486 HydrophobicContact CD1-CB 3.95Å; L478-K486 WeakPolarHBondContact O-CD 3.27Å; L478-K486 WeakPolarHBondContact O-CE 3.16Å; L478-K486 PolarHBondContact O-NZ 3.29Å; C481-K486 WeakPolarHBondContact O-CD 3.42Å; S483-K486 PolarHBondContact O-N 3.22Å; S483-K486 PolarHBondContact OG-N 3Å; L484-K486 VanDerWaalsContact C-N 3.32Å; L484-K486 PolarHBondContact O-N 3.32Å; K486-Q489 PolarHBondContact O-N 3.3Å; K486-H490 WeakPolarHBondContact O-CB 3.5Å; K486-H490 PolarHBondContact O-N 3.01Å; K486-E975 IonicContact NZ-OE2 2.71Å |
| 487 | K | 90.4 | Very high | 83 | Confident | 54 Ų | 54 | 36.7 Ų | 36.7 | 24% | 0.235 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.4 | -34.4 | 175.6 | -63.6 | 172.5 | -173.1 | 171.1 | 0 | 111.7 | N482 S483 L484 M485 L491 I507 F508 A511 | N482-K487 WeakPolarHBondContact OD1-CE 3.4Å; N482-K487 PolarHBondContact OD1-NZ 3.36Å; S483-K487 PolarHBondContact O-N 3.23Å; L484-K487 WeakPolarHBondContact O-CB 3.4Å; L484-K487 PolarHBondContact O-N 3.14Å; L484-K487 VanDerWaalsContact O-N 3.08Å; M485-K487 VanDerWaalsContact C-N 3.31Å; M485-K487 PolarHBondContact O-N 3.47Å; K487-L491 WeakPolarHBondContact O-CB 3.48Å; K487-L491 PolarHBondContact O-N 3.3Å; K487-I507 HydrophobicContact CD-CG2 4.37Å; K487-I507 HydrophobicContact CG-CG2 4.44Å; K487-F508 HydrophobicContact CB-CD2 3.99Å; K487-A511 HydrophobicContact CD-CB 3.43Å; K487-A511 VanDerWaalsContact CD-CB 3.43Å |
| 488 | L | 91.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | 171 | -174 | 63.6 | 0 | 0 | 0 | 111.7 | I460 F469 V473 L484 M485 H490 L491 F492 F508 L536 | I460-L488 HydrophobicContact CD1-CD1 4.08Å; F469-L488 HydrophobicContact CE1-CD2 4.22Å; F469-L488 HydrophobicContact CZ-CD2 3.96Å; V473-L488 HydrophobicContact CG1-CD2 4.41Å; V473-L488 HydrophobicContact CG1-CG 4.27Å; V473-L488 HydrophobicContact CG2-CD2 4.4Å; L484-L488 PolarHBondContact O-N 2.97Å; M485-L488 PolarHBondContact O-N 3.44Å; M485-L488 HydrophobicContact SD-CD2 4.34Å; L488-H490 VanDerWaalsContact C-N 3.31Å; L488-H490 PolarHBondContact O-N 3.26Å; L488-L491 WeakPolarHBondContact O-CB 3.31Å; L488-L491 PolarHBondContact O-N 3.42Å; L488-L491 VanDerWaalsContact O-N 3.16Å; L488-F492 HydrophobicContact CD1-CD1 4.04Å; L488-F492 HydrophobicContact CD1-CE1 3.62Å; L488-F492 HydrophobicContact CD1-CE2 4.47Å; L488-F492 HydrophobicContact CD1-CZ 3.87Å; L488-F492 HydrophobicContact CD2-CE2 4.5Å; L488-F492 HydrophobicContact CD2-CZ 4.43Å; L488-F492 HydrophobicContact CG-CD1 4.49Å; L488-F492 HydrophobicContact CG-CE1 4.28Å; L488-F492 HydrophobicContact CG-CE2 4.31Å; L488-F492 HydrophobicContact CG-CZ 4.19Å; L488-F492 PolarHBondContact O-N 2.96Å; L488-F508 HydrophobicContact CB-CD2 4.43Å; L488-F508 HydrophobicContact CB-CE2 3.86Å; L488-F508 HydrophobicContact CD1-CE2 3.92Å; L488-F508 HydrophobicContact CD1-CZ 3.9Å; L488-F508 HydrophobicContact CG-CE2 4.47Å; L488-L536 HydrophobicContact CD2-CD1 3.87Å |
| 489 | Q | 90.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.2 | -43.8 | 174.5 | -175.4 | -175.7 | 33.7 | 0 | 0 | 111.7 | V473 L474 L476 M485 K486 F492 A493 L976 | V473-Q489 HydrophobicContact CG1-CB 4.06Å; V473-Q489 WeakPolarHBondContact O-CG 3.45Å; V473-Q489 PolarHBondContact O-NE2 3.31Å; L474-Q489 PolarHBondContact O-NE2 3.47Å; L476-Q489 PolarHBondContact O-NE2 2.98Å; M485-Q489 WeakPolarHBondContact O-CB 3.34Å; M485-Q489 PolarHBondContact O-N 2.89Å; K486-Q489 PolarHBondContact O-N 3.3Å; Q489-F492 PolarHBondContact O-N 2.99Å; Q489-A493 VanDerWaalsContact O-CB 3.3Å; Q489-A493 WeakPolarHBondContact O-CB 2.99Å; Q489-A493 PolarHBondContact O-N 3.4Å; Q489-L976 HydrophobicContact CG-CD1 4.02Å |
| 490 | H | 89.9 | Confident | 84.6 | Confident | 52 Ų | 52 | 30.7 Ų | 30.7 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.3 | -166.8 | 85.6 | 0 | 0 | 0 | 111.6 | K486 L488 F492 A493 F494 L976 | K486-H490 WeakPolarHBondContact O-CB 3.5Å; K486-H490 PolarHBondContact O-N 3.01Å; L488-H490 VanDerWaalsContact C-N 3.31Å; L488-H490 PolarHBondContact O-N 3.26Å; H490-F492 PolarHBondContact O-N 3.05Å; H490-A493 PolarHBondContact O-N 3.11Å; H490-F494 AromaticContact CD2-CD2 3.93Å; H490-F494 AromaticContact CE1-CE2 3.58Å; H490-F494 AromaticContact NE2-CD2 3.82Å; H490-F494 AromaticContact NE2-CE2 3.41Å; H490-F494 WeakPolarHBondContact NE2-CE2 3.36Å; H490-F494 WeakPolarHBondContact O-CD2 3.43Å; H490-F494 PolarHBondContact O-N 3.5Å; H490-L976 HydrophobicContact CB-CD2 4.39Å |
| 491 | L | 92 | Very high | 85.7 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 177.8 | 178.8 | 56.3 | 0 | 0 | 0 | 112.5 | L447 I460 K487 L488 F494 L495 Y503 P505 F508 | L447-L491 HydrophobicContact CD2-CD1 4.04Å; I460-L491 HydrophobicContact CG2-CD2 3.81Å; I460-L491 HydrophobicContact CG2-CG 4.4Å; K487-L491 WeakPolarHBondContact O-CB 3.48Å; K487-L491 PolarHBondContact O-N 3.3Å; L488-L491 WeakPolarHBondContact O-CB 3.31Å; L488-L491 PolarHBondContact O-N 3.42Å; L488-L491 VanDerWaalsContact O-N 3.16Å; L491-F494 PolarHBondContact O-N 2.91Å; L491-L495 HydrophobicContact CD1-CD1 4.48Å; L491-L495 HydrophobicContact CD1-CG 4.49Å; L491-L495 HydrophobicContact CG-CD1 4.43Å; L491-L495 WeakPolarHBondContact O-CG 3.46Å; L491-L495 PolarHBondContact O-N 2.94Å; L491-Y503 HydrophobicContact CD1-CD1 3.5Å; L491-Y503 HydrophobicContact CD1-CE1 3.54Å; L491-P505 HydrophobicContact CD1-CB 3.91Å; L491-P505 HydrophobicContact CD2-CB 4.22Å; L491-F508 HydrophobicContact CD2-CB 3.95Å; L491-F508 HydrophobicContact CD2-CD1 3.53Å; L491-F508 HydrophobicContact CD2-CD2 4.37Å; L491-F508 HydrophobicContact CD2-CE1 4.13Å; L491-F508 HydrophobicContact CD2-CG 3.67Å |
| 492 | F | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.5 | -76.9 | 4.3 | 0 | 0 | 0 | 112.2 | I460 L463 F464 F469 R470 V473 L474 L488 Q489 H490 F494 L495 A496 | I460-F492 HydrophobicContact CG2-CE1 4.28Å; L463-F492 HydrophobicContact CB-CZ 4.23Å; F464-F492 HydrophobicContact CB-CD1 4.21Å; F464-F492 HydrophobicContact CB-CE1 3.83Å; F464-F492 HydrophobicContact CB-CZ 4.25Å; F464-F492 HydrophobicContact CD2-CB 4.1Å; F464-F492 AromaticContact CD2-CD1 3.72Å; F464-F492 HydrophobicContact CD2-CD1 3.72Å; F464-F492 HydrophobicContact CD2-CD2 4.46Å; F464-F492 HydrophobicContact CD2-CE1 4.18Å; F464-F492 AromaticContact CD2-CG 3.86Å; F464-F492 HydrophobicContact CD2-CG 3.86Å; F464-F492 HydrophobicContact CE2-CB 4.31Å; F464-F492 WeakPolarHBondContact CE2-O 3.46Å; F464-F492 HydrophobicContact CG-CD1 4.43Å; F469-F492 HydrophobicContact CD1-CE2 4.06Å; F469-F492 HydrophobicContact CD1-CZ 4.3Å; F469-F492 AromaticContact CE1-CE2 3.9Å; F469-F492 HydrophobicContact CE1-CE2 3.9Å; F469-F492 AromaticContact CE1-CZ 3.97Å; F469-F492 HydrophobicContact CE1-CZ 3.97Å; R470-F492 HydrophobicContact CB-CD2 4.36Å; R470-F492 HydrophobicContact CB-CE2 4.4Å; R470-F492 HydrophobicContact CG-CD2 4.01Å; V473-F492 HydrophobicContact CB-CD2 4.02Å; V473-F492 HydrophobicContact CB-CE2 4.21Å; V473-F492 HydrophobicContact CG1-CD2 3.74Å; V473-F492 HydrophobicContact CG1-CE2 4.17Å; V473-F492 HydrophobicContact CG2-CE2 4.29Å; L474-F492 HydrophobicContact CD2-CB 3.86Å; L474-F492 HydrophobicContact CG-CB 4.45Å; L488-F492 HydrophobicContact CD1-CD1 4.04Å; L488-F492 HydrophobicContact CD1-CE1 3.62Å; L488-F492 HydrophobicContact CD1-CE2 4.47Å; L488-F492 HydrophobicContact CD1-CZ 3.87Å; L488-F492 HydrophobicContact CD2-CE2 4.5Å; L488-F492 HydrophobicContact CD2-CZ 4.43Å; L488-F492 HydrophobicContact CG-CD1 4.49Å; L488-F492 HydrophobicContact CG-CE1 4.28Å; L488-F492 HydrophobicContact CG-CE2 4.31Å; L488-F492 HydrophobicContact CG-CZ 4.19Å; L488-F492 PolarHBondContact O-N 2.96Å; Q489-F492 PolarHBondContact O-N 2.99Å; H490-F492 PolarHBondContact O-N 3.05Å; F492-F494 VanDerWaalsContact C-N 3.31Å; F492-F494 PolarHBondContact O-N 3.39Å; F492-L495 HydrophobicContact CD1-CD1 4.49Å; F492-L495 PolarHBondContact O-N 3Å; F492-A496 PolarHBondContact O-N 3.08Å |
| 493 | A | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L474 Q489 H490 H497 L972 L976 I980 | L474-A493 HydrophobicContact CD2-CB 4Å; Q489-A493 VanDerWaalsContact O-CB 3.3Å; Q489-A493 WeakPolarHBondContact O-CB 2.99Å; Q489-A493 PolarHBondContact O-N 3.4Å; H490-A493 PolarHBondContact O-N 3.11Å; A493-H497 PolarHBondContact O-CD2 3.48Å; A493-H497 PolarHBondContact O-N 2.98Å; A493-H497 VanDerWaalsContact O-N 3.15Å; A493-L972 HydrophobicContact CB-CD1 3.92Å; A493-L972 HydrophobicContact CB-CD2 4.25Å; A493-L976 HydrophobicContact CB-CD1 4.27Å; A493-I980 HydrophobicContact CB-CD1 3.83Å; A493-I980 WeakPolarHBondContact O-CD1 3.4Å |
| 494 | F | 89.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.044 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.1 | -45.4 | 172.1 | -92.9 | -93.7 | 0 | 0 | 0 | 112.8 | H490 L491 F492 A496 H497 T498 Y503 I980 D983 | H490-F494 AromaticContact CD2-CD2 3.93Å; H490-F494 AromaticContact CE1-CE2 3.58Å; H490-F494 AromaticContact NE2-CD2 3.82Å; H490-F494 AromaticContact NE2-CE2 3.41Å; H490-F494 WeakPolarHBondContact NE2-CE2 3.36Å; H490-F494 WeakPolarHBondContact O-CD2 3.43Å; H490-F494 PolarHBondContact O-N 3.5Å; L491-F494 PolarHBondContact O-N 2.91Å; F492-F494 VanDerWaalsContact C-N 3.31Å; F492-F494 PolarHBondContact O-N 3.39Å; F494-A496 PolarHBondContact O-N 3.49Å; F494-H497 PolarHBondContact O-N 2.55Å; F494-T498 VanDerWaalsContact O-CB 3.3Å; F494-T498 WeakPolarHBondContact O-CB 3.48Å; F494-T498 VanDerWaalsContact O-CG2 3.22Å; F494-T498 WeakPolarHBondContact O-CG2 3.32Å; F494-T498 PolarHBondContact O-N 3.07Å; F494-Y503 HydrophobicContact CB-CD1 4.47Å; F494-Y503 HydrophobicContact CB-CD2 3.98Å; F494-Y503 HydrophobicContact CB-CE1 4.33Å; F494-Y503 HydrophobicContact CB-CE2 3.82Å; F494-Y503 HydrophobicContact CB-CG 4.28Å; F494-Y503 AromaticContact CD1-CD2 3.61Å; F494-Y503 HydrophobicContact CD1-CD2 3.61Å; F494-Y503 AromaticContact CD1-CE2 3.2Å; F494-Y503 HydrophobicContact CD1-CE2 3.2Å; F494-Y503 HydrophobicContact CD2-CE2 4.34Å; F494-Y503 HydrophobicContact CE1-CD2 4.44Å; F494-Y503 AromaticContact CE1-CE2 3.79Å; F494-Y503 HydrophobicContact CE1-CE2 3.79Å; F494-Y503 HydrophobicContact CG-CD2 4.05Å; F494-Y503 AromaticContact CG-CE2 3.52Å; F494-Y503 HydrophobicContact CG-CE2 3.52Å; F494-Y503 AromaticContact CG-CZ 3.85Å; F494-I980 HydrophobicContact CD1-CG1 4.39Å; F494-I980 HydrophobicContact CD2-CD1 4.43Å; F494-I980 HydrophobicContact CD2-CG1 3.8Å; F494-I980 HydrophobicContact CE1-CG1 4.25Å; F494-I980 HydrophobicContact CE2-CG1 3.62Å; F494-I980 HydrophobicContact CG-CG1 4.2Å; F494-I980 HydrophobicContact CZ-CG1 3.86Å; F494-D983 HydrophobicContact CE1-CB 3.63Å; F494-D983 HydrophobicContact CZ-CB 4.04Å |
| 495 | L | 89.5 | Confident | 88.2 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -29.5 | 176.6 | -77.5 | 173.8 | 0 | 0 | 0 | 113.5 | T445 L447 I460 F464 L491 F492 | T445-L495 HydrophobicContact CG2-CD2 3.91Å; T445-L495 PolarHBondContact OG1-O 2.85Å; L447-L495 HydrophobicContact CD2-CD1 4.42Å; L447-L495 HydrophobicContact CD2-CD2 3.82Å; L447-L495 HydrophobicContact CD2-CG 4.4Å; L447-L495 HydrophobicContact CG-CD2 4.19Å; I460-L495 HydrophobicContact CG2-CD1 4.32Å; F464-L495 HydrophobicContact CB-CD1 4.3Å; F464-L495 HydrophobicContact CD1-CB 4.46Å; F464-L495 HydrophobicContact CD1-CD1 4.44Å; F464-L495 HydrophobicContact CD2-CB 3.99Å; F464-L495 HydrophobicContact CD2-CD1 4.03Å; F464-L495 HydrophobicContact CE1-CB 4.11Å; F464-L495 HydrophobicContact CE2-CB 3.58Å; F464-L495 HydrophobicContact CE2-CD1 4.48Å; F464-L495 HydrophobicContact CG-CB 4.41Å; F464-L495 HydrophobicContact CG-CD1 4.01Å; F464-L495 HydrophobicContact CZ-CB 3.66Å; L491-L495 HydrophobicContact CD1-CD1 4.48Å; L491-L495 HydrophobicContact CD1-CG 4.49Å; L491-L495 HydrophobicContact CG-CD1 4.43Å; L491-L495 WeakPolarHBondContact O-CG 3.46Å; L491-L495 PolarHBondContact O-N 2.94Å; F492-L495 HydrophobicContact CD1-CD1 4.49Å; F492-L495 PolarHBondContact O-N 3Å |
| 496 | A | 86.9 | Confident | 88.2 | Confident | 16 Ų | 16 | 34.3 Ų | 34.3 | 13% | 0.132 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -80.2 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K439 F464 F492 F494 | K439-A496 PolarHBondContact NZ-O 3.49Å; F464-A496 HydrophobicContact CE2-CB 4.39Å; F464-A496 HydrophobicContact CZ-CB 4.2Å; F492-A496 PolarHBondContact O-N 3.08Å; F494-A496 PolarHBondContact O-N 3.49Å |
| 497 | H | 84.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 37.1 Ų | 37.1 | 22% | 0.218 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -127.1 | -0.8 | -163.9 | -57.1 | -82 | 0 | 0 | 0 | 116.8 | A493 F494 L972 I980 N984 | A493-H497 PolarHBondContact O-CD2 3.48Å; A493-H497 PolarHBondContact O-N 2.98Å; A493-H497 VanDerWaalsContact O-N 3.15Å; F494-H497 PolarHBondContact O-N 2.55Å; H497-L972 VanDerWaalsContact CD2-CD1 3.48Å; H497-L972 WeakPolarHBondContact CD2-CD1 3.32Å; H497-I980 HydrophobicContact CB-CD1 4.3Å; H497-I980 HydrophobicContact CB-CG2 3.88Å; H497-I980 WeakPolarHBondContact O-CG2 3.49Å; H497-N984 PolarHBondContact O-ND2 3.23Å; H497-N984 VanDerWaalsContact O-ND2 3.11Å |
| 498 | T | 84.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -64.8 | 151.3 | 168.8 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | K439 T445 F494 R500 N984 | K439-T498 WeakPolarHBondContact CE-O 3.1Å; T445-T498 HydrophobicContact CG2-CG2 3.53Å; F494-T498 VanDerWaalsContact O-CB 3.3Å; F494-T498 WeakPolarHBondContact O-CB 3.48Å; F494-T498 VanDerWaalsContact O-CG2 3.22Å; F494-T498 WeakPolarHBondContact O-CG2 3.32Å; F494-T498 PolarHBondContact O-N 3.07Å; T498-R500 HydrophobicContact CG2-CB 4.27Å; T498-R500 PolarHBondContact OG1-N 3.15Å; T498-N984 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 499 | Q | 81.6 | Confident | 88.1 | Confident | 82 Ų | 82 | 36.2 Ų | 36.2 | 38% | 0.383 | 17% | 0.171 | S | C | . | . | trans | -99.3 | 8.5 | 172 | -58.2 | -62.1 | -14.1 | 0 | 0 | 112.6 | G438 N984 Y987 | G438-Q499 CarbonylContact C-O 3.54Å; G438-Q499 WeakPolarHBondContact CA-O 3.37Å; Q499-N984 HydrophobicContact CG-CB 4.27Å; Q499-N984 PolarHBondContact N-OD1 3.33Å; Q499-Y987 HydrophobicContact CB-CD1 4.41Å; Q499-Y987 WeakPolarHBondContact O-CE1 3.07Å | ||
| 500 | R | 82.8 | Confident | 88 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -82.6 | 147 | 171.5 | -59.8 | 178.4 | -176.5 | -88.2 | 1.8 | 110.8 | G438 T498 A502 D983 Y987 E990 | G438-R500 CarbonylContact O-C 3.47Å; G438-R500 VanDerWaalsContact O-C 3.25Å; T498-R500 HydrophobicContact CG2-CB 4.27Å; T498-R500 PolarHBondContact OG1-N 3.15Å; R500-A502 VanDerWaalsContact C-N 3.28Å; R500-A502 PolarHBondContact O-N 2.73Å; R500-D983 IonicContact CZ-OD1 3.76Å; R500-D983 IonicContact CZ-OD2 2.74Å; R500-D983 IonicContact NE-OD1 2.82Å; R500-D983 PolarHBondContact NE-OD1 3.46Å; R500-D983 IonicContact NE-OD2 3.19Å; R500-D983 PolarHBondContact NE-OD2 3.16Å; R500-D983 IonicContact NH2-OD1 2.73Å; R500-D983 PolarHBondContact NH2-OD1 3.33Å; R500-D983 IonicContact NH2-OD2 3.04Å; R500-Y987 HydrophobicContact CG-CD1 4.1Å; R500-Y987 HydrophobicContact CG-CD2 3.76Å; R500-Y987 HydrophobicContact CG-CE1 4.48Å; R500-Y987 HydrophobicContact CG-CE2 4.15Å; R500-Y987 HydrophobicContact CG-CG 3.72Å; R500-E990 IonicContact CZ-OE2 2.65Å; R500-E990 IonicContact NH1-OE2 2.7Å; R500-E990 PolarHBondContact NH1-OE2 3.06Å; R500-E990 IonicContact NH2-OE2 3.18Å |
| 501 | E | 82.1 | Confident | 87.9 | Confident | 125 Ų | 125 | 41.4 Ų | 41.4 | 58% | 0.584 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -59.8 | -40.2 | 174.2 | -60.8 | 175.9 | 176.1 | 0 | 0 | 111.5 | G438 G446 | G438-E501 WeakPolarHBondContact O-CA 3.42Å; G438-E501 WeakPolarHBondContact O-CG 3.45Å; G438-E501 PolarHBondContact O-N 2.73Å; G446-E501 PolarHBondContact N-O 2.88Å |
| 502 | A | 87.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 146.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G446 I448 R500 | G446-A502 CarbonylContact O-C 3.52Å; G446-A502 VanDerWaalsContact O-CA 3.25Å; G446-A502 WeakPolarHBondContact O-CA 3.42Å; I448-A502 HydrophobicContact CD1-CB 4.33Å; I448-A502 HydrophobicContact CG1-CB 3.68Å; R500-A502 VanDerWaalsContact C-N 3.28Å; R500-A502 PolarHBondContact O-N 2.73Å |
| 503 | Y | 90.2 | Very high | 87.8 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 148.9 | 178.3 | -177.3 | -102.9 | 0 | 0 | 0 | 111.4 | G446 L447 I448 L491 F494 P505 | G446-Y503 PolarHBondContact O-N 3.19Å; L447-Y503 WeakPolarHBondContact CA-O 3.48Å; L447-Y503 HydrophobicContact CD2-CD1 4.44Å; I448-Y503 PolarHBondContact N-O 3.33Å; L491-Y503 HydrophobicContact CD1-CD1 3.5Å; L491-Y503 HydrophobicContact CD1-CE1 3.54Å; F494-Y503 HydrophobicContact CB-CD1 4.47Å; F494-Y503 HydrophobicContact CB-CD2 3.98Å; F494-Y503 HydrophobicContact CB-CE1 4.33Å; F494-Y503 HydrophobicContact CB-CE2 3.82Å; F494-Y503 HydrophobicContact CB-CG 4.28Å; F494-Y503 AromaticContact CD1-CD2 3.61Å; F494-Y503 HydrophobicContact CD1-CD2 3.61Å; F494-Y503 AromaticContact CD1-CE2 3.2Å; F494-Y503 HydrophobicContact CD1-CE2 3.2Å; F494-Y503 HydrophobicContact CD2-CE2 4.34Å; F494-Y503 HydrophobicContact CE1-CD2 4.44Å; F494-Y503 AromaticContact CE1-CE2 3.79Å; F494-Y503 HydrophobicContact CE1-CE2 3.79Å; F494-Y503 HydrophobicContact CG-CD2 4.05Å; F494-Y503 AromaticContact CG-CE2 3.52Å; F494-Y503 HydrophobicContact CG-CE2 3.52Å; F494-Y503 AromaticContact CG-CZ 3.85Å; Y503-P505 WeakPolarHBondContact O-CD 3.45Å |
| 504 | A | 90.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | trans | -101.6 | 103 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | I448 L450 R506 | I448-A504 HydrophobicContact CB-CB 4.38Å; I448-A504 HydrophobicContact CD1-CB 4.21Å; L450-A504 HydrophobicContact CD2-CB 4.44Å; A504-R506 HydrophobicContact CB-CG 4.41Å; A504-R506 PolarHBondContact O-N 2.91Å | ||
| 505 | P | 90 | Very high | 87.9 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | trans | -76.2 | 32.8 | -169.8 | 32.7 | -38.2 | 0 | 0 | 0 | 114.9 | L447 L450 M456 L491 Y503 I507 F508 F509 | L447-P505 HydrophobicContact CD2-CB 4.28Å; L447-P505 HydrophobicContact CD2-CG 4.19Å; L450-P505 HydrophobicContact CD1-CG 4.28Å; M456-P505 HydrophobicContact CE-CB 4.22Å; M456-P505 HydrophobicContact CE-CG 3.56Å; L491-P505 HydrophobicContact CD1-CB 3.91Å; L491-P505 HydrophobicContact CD2-CB 4.22Å; Y503-P505 WeakPolarHBondContact O-CD 3.45Å; P505-I507 PolarHBondContact O-N 3.33Å; P505-F508 PolarHBondContact O-N 3.17Å; P505-F509 PolarHBondContact O-N 2.87Å | ||
| 506 | R | 88.8 | Confident | 88 | Confident | 160 Ų | 160 | 55.7 Ų | 55.7 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -52.5 | -52.3 | -169.5 | -63.6 | -177.5 | -178.3 | 180 | 1.7 | 113.6 | L450 A504 F508 F509 E510 | L450-R506 HydrophobicContact CD1-CB 4.4Å; L450-R506 HydrophobicContact CD1-CG 3.84Å; L450-R506 HydrophobicContact CD2-CG 3.93Å; A504-R506 HydrophobicContact CB-CG 4.41Å; A504-R506 PolarHBondContact O-N 2.91Å; R506-F508 PolarHBondContact O-N 3.19Å; R506-F509 PolarHBondContact O-N 3.45Å; R506-E510 WeakPolarHBondContact O-CG 3.41Å; R506-E510 PolarHBondContact O-N 2.64Å |
| 507 | I | 88.1 | Confident | 88.2 | Confident | 101 Ų | 101 | 55 Ų | 55 | 52% | 0.518 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -33.1 | -178.8 | -57.8 | 172.5 | 0 | 0 | 0 | 111.7 | K487 P505 A511 | K487-I507 HydrophobicContact CD-CG2 4.37Å; K487-I507 HydrophobicContact CG-CG2 4.44Å; P505-I507 PolarHBondContact O-N 3.33Å; I507-A511 WeakPolarHBondContact O-CB 3.25Å |
| 508 | F | 91.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -83.9 | -37.7 | 179.2 | -179.3 | -97.4 | 0 | 0 | 0 | 112.1 | M456 I460 L484 K487 L488 L491 P505 R506 A511 S512 Y528 L532 | M456-F508 HydrophobicContact SD-CD1 4.29Å; I460-F508 HydrophobicContact CD1-CD1 4.47Å; I460-F508 HydrophobicContact CD1-CE1 3.48Å; I460-F508 VanDerWaalsContact CD1-CE1 3.48Å; I460-F508 HydrophobicContact CD1-CZ 3.81Å; I460-F508 HydrophobicContact CG1-CE1 4.02Å; L484-F508 HydrophobicContact CD1-CD2 4.12Å; L484-F508 HydrophobicContact CD1-CE2 3.7Å; L484-F508 HydrophobicContact CD1-CZ 4.46Å; L484-F508 HydrophobicContact CG-CE2 4.37Å; K487-F508 HydrophobicContact CB-CD2 3.99Å; L488-F508 HydrophobicContact CB-CD2 4.43Å; L488-F508 HydrophobicContact CB-CE2 3.86Å; L488-F508 HydrophobicContact CD1-CE2 3.92Å; L488-F508 HydrophobicContact CD1-CZ 3.9Å; L488-F508 HydrophobicContact CG-CE2 4.47Å; L491-F508 HydrophobicContact CD2-CB 3.95Å; L491-F508 HydrophobicContact CD2-CD1 3.53Å; L491-F508 HydrophobicContact CD2-CD2 4.37Å; L491-F508 HydrophobicContact CD2-CE1 4.13Å; L491-F508 HydrophobicContact CD2-CG 3.67Å; P505-F508 PolarHBondContact O-N 3.17Å; R506-F508 PolarHBondContact O-N 3.19Å; F508-A511 PolarHBondContact O-N 3.43Å; F508-S512 WeakPolarHBondContact CE1-OG 3.27Å; F508-S512 WeakPolarHBondContact O-CB 3.38Å; F508-S512 PolarHBondContact O-N 3.01Å; F508-S512 PolarHBondContact O-OG 3.11Å; F508-Y528 VanDerWaalsContact CE1-OH 3.29Å; F508-Y528 WeakPolarHBondContact CE1-OH 3.32Å; F508-L532 HydrophobicContact CZ-CD1 3.84Å; F508-L532 HydrophobicContact CZ-CD2 4.3Å |
| 509 | F | 89.2 | Confident | 88.1 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 173.6 | 174.7 | -111 | 0 | 0 | 0 | 111.7 | L450 T453 M456 P505 R506 A511 S512 R513 | L450-F509 HydrophobicContact CD1-CB 4.14Å; L450-F509 HydrophobicContact CD1-CD1 4.37Å; L450-F509 HydrophobicContact CD1-CG 4.35Å; T453-F509 HydrophobicContact CG2-CD2 4.08Å; T453-F509 HydrophobicContact CG2-CE2 3.65Å; T453-F509 HydrophobicContact CG2-CZ 3.93Å; M456-F509 HydrophobicContact CE-CB 4.07Å; M456-F509 HydrophobicContact CE-CD2 4.04Å; M456-F509 HydrophobicContact CE-CG 4.43Å; M456-F509 HydrophobicContact SD-CB 3.98Å; M456-F509 HydrophobicContact SD-CD2 3.77Å; M456-F509 HydrophobicContact SD-CG 4.37Å; P505-F509 PolarHBondContact O-N 2.87Å; R506-F509 PolarHBondContact O-N 3.45Å; F509-A511 PolarHBondContact O-N 3.1Å; F509-S512 PolarHBondContact O-N 2.98Å; F509-R513 WeakPolarHBondContact O-CB 3.48Å; F509-R513 PolarHBondContact O-N 3.01Å; F509-R513 VanDerWaalsContact O-N 3.13Å |
| 510 | E | 87.6 | Confident | 88 | Confident | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.692 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.4 | -31.2 | 177.4 | -71.9 | 170.9 | -166.4 | 0 | 0 | 112.7 | R506 | R506-E510 WeakPolarHBondContact O-CG 3.41Å; R506-E510 PolarHBondContact O-N 2.64Å |
| 511 | A | 88.6 | Confident | 88.2 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -86.1 | -33.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L484 K487 I507 F508 F509 R535 | L484-A511 HydrophobicContact CD1-CB 3.97Å; K487-A511 HydrophobicContact CD-CB 3.43Å; K487-A511 VanDerWaalsContact CD-CB 3.43Å; I507-A511 WeakPolarHBondContact O-CB 3.25Å; F508-A511 PolarHBondContact O-N 3.43Å; F509-A511 PolarHBondContact O-N 3.1Å; A511-R535 PolarHBondContact O-NH1 3.11Å; A511-R535 PolarHBondContact O-NH2 2.93Å |
| 512 | S | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -96.4 | -15.9 | -170.6 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | F508 F509 Y528 F531 | F508-S512 WeakPolarHBondContact CE1-OG 3.27Å; F508-S512 WeakPolarHBondContact O-CB 3.38Å; F508-S512 PolarHBondContact O-N 3.01Å; F508-S512 PolarHBondContact O-OG 3.11Å; F509-S512 PolarHBondContact O-N 2.98Å; S512-Y528 VanDerWaalsContact CB-OH 3.32Å; S512-Y528 WeakPolarHBondContact CB-OH 3.3Å; S512-Y528 PolarHBondContact OG-OH 2.96Å; S512-F531 VanDerWaalsContact O-CE1 3.31Å; S512-F531 WeakPolarHBondContact O-CE1 3.23Å |
| 513 | R | 90.1 | Very high | 88.7 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -59 | 129.3 | -178.9 | -175.3 | -174.3 | 61.5 | 77.4 | 10.8 | 111.6 | F509 P515 F517 | F509-R513 WeakPolarHBondContact O-CB 3.48Å; F509-R513 PolarHBondContact O-N 3.01Å; F509-R513 VanDerWaalsContact O-N 3.13Å; R513-P515 PolarHBondContact NH1-O 3.33Å; R513-F517 WeakPolarHBondContact CD-O 3.43Å; R513-F517 HydrophobicContact CG-CB 3.88Å; R513-F517 PolarHBondContact NH1-O 3.17Å |
| 514 | P | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -54.8 | 140 | 169.5 | -24.8 | 32.1 | 0 | 0 | 0 | 111.8 | W516 F517 Y528 F531 | P514-W516 HydrophobicContact CB-CD2 4.09Å; P514-W516 HydrophobicContact CB-CE3 4.49Å; P514-W516 HydrophobicContact CB-CH2 4.38Å; P514-W516 HydrophobicContact CB-CZ2 3.96Å; P514-W516 PolarHBondContact O-N 3.19Å; P514-W516 VanDerWaalsContact O-N 3.14Å; P514-F517 HydrophobicContact CB-CB 4.29Å; P514-F517 HydrophobicContact CB-CD1 3.87Å; P514-F517 HydrophobicContact CB-CD2 4.24Å; P514-F517 HydrophobicContact CB-CE1 4.3Å; P514-F517 HydrophobicContact CB-CG 3.86Å; P514-F517 HydrophobicContact CG-CD1 4.01Å; P514-F517 HydrophobicContact CG-CD2 3.63Å; P514-F517 HydrophobicContact CG-CE1 4.13Å; P514-F517 HydrophobicContact CG-CE2 3.76Å; P514-F517 HydrophobicContact CG-CG 3.78Å; P514-F517 HydrophobicContact CG-CZ 4.02Å; P514-F517 PolarHBondContact O-N 3.28Å; P514-Y528 HydrophobicContact CG-CD2 4.45Å; P514-F531 HydrophobicContact CB-CD1 4.13Å; P514-F531 HydrophobicContact CB-CD2 4.3Å; P514-F531 HydrophobicContact CB-CE1 4.32Å; P514-F531 HydrophobicContact CB-CE2 4.49Å; P514-F531 HydrophobicContact CB-CG 4.12Å; P514-F531 HydrophobicContact CG-CB 4.09Å; P514-F531 HydrophobicContact CG-CD1 3.64Å; P514-F531 HydrophobicContact CG-CD2 4.46Å; P514-F531 HydrophobicContact CG-CE1 4.2Å; P514-F531 HydrophobicContact CG-CG 3.79Å | ||
| 515 | P | 89.7 | Confident | 89 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -40.6 | -177.7 | -29.8 | 34.7 | 0 | 0 | 0 | 114 | R513 | R513-P515 PolarHBondContact NH1-O 3.33Š|
| 516 | W | 91.9 | Very high | 89.2 | Confident | 151 Ų | 151 | 62.6 Ų | 62.6 | 57% | 0.572 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.3 | -177.7 | 55.4 | 95.2 | 0 | 0 | 0 | 115.1 | P514 T518 E527 F531 | P514-W516 HydrophobicContact CB-CD2 4.09Å; P514-W516 HydrophobicContact CB-CE3 4.49Å; P514-W516 HydrophobicContact CB-CH2 4.38Å; P514-W516 HydrophobicContact CB-CZ2 3.96Å; P514-W516 PolarHBondContact O-N 3.19Å; P514-W516 VanDerWaalsContact O-N 3.14Å; W516-T518 PolarHBondContact O-N 3.07Å; W516-E527 PolarHBondContact NE1-OE1 2.87Å; W516-F531 AromaticContact CH2-CD2 3.69Å; W516-F531 HydrophobicContact CH2-CD2 3.69Å; W516-F531 AromaticContact CH2-CE2 3.98Å; W516-F531 HydrophobicContact CH2-CE2 3.98Å; W516-F531 HydrophobicContact CZ2-CD2 4.23Å; W516-F531 HydrophobicContact CZ3-CD2 4.44Å; W516-F531 HydrophobicContact CZ3-CE2 4.29Å |
| 517 | F | 90.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -76.4 | 110.1 | 178.3 | -83.5 | 16.7 | 0 | 0 | 0 | 111.5 | Y455 R513 P514 P519 Q523 E527 | Y455-F517 HydrophobicContact CE2-CD2 4.13Å; Y455-F517 AromaticContact CE2-CE2 3.9Å; Y455-F517 HydrophobicContact CE2-CE2 3.9Å; R513-F517 WeakPolarHBondContact CD-O 3.43Å; R513-F517 HydrophobicContact CG-CB 3.88Å; R513-F517 PolarHBondContact NH1-O 3.17Å; P514-F517 HydrophobicContact CB-CB 4.29Å; P514-F517 HydrophobicContact CB-CD1 3.87Å; P514-F517 HydrophobicContact CB-CD2 4.24Å; P514-F517 HydrophobicContact CB-CE1 4.3Å; P514-F517 HydrophobicContact CB-CG 3.86Å; P514-F517 HydrophobicContact CG-CD1 4.01Å; P514-F517 HydrophobicContact CG-CD2 3.63Å; P514-F517 HydrophobicContact CG-CE1 4.13Å; P514-F517 HydrophobicContact CG-CE2 3.76Å; P514-F517 HydrophobicContact CG-CG 3.78Å; P514-F517 HydrophobicContact CG-CZ 4.02Å; P514-F517 PolarHBondContact O-N 3.28Å; F517-P519 WeakPolarHBondContact O-CD 3.33Å; F517-Q523 HydrophobicContact CB-CG 4.34Å; F517-Q523 HydrophobicContact CD1-CG 4.38Å; F517-Q523 HydrophobicContact CD2-CB 3.86Å; F517-Q523 HydrophobicContact CD2-CG 3.49Å; F517-Q523 VanDerWaalsContact CD2-CG 3.49Å; F517-Q523 HydrophobicContact CE2-CB 3.52Å; F517-Q523 HydrophobicContact CE2-CG 3.73Å; F517-Q523 HydrophobicContact CG-CG 3.84Å; F517-Q523 HydrophobicContact CZ-CB 3.94Å; F517-Q523 HydrophobicContact CZ-CG 4.26Å; F517-E527 VanDerWaalsContact CE1-CD 3.5Å; F517-E527 HydrophobicContact CE1-CG 4.19Å; F517-E527 HydrophobicContact CZ-CB 4.2Å; F517-E527 HydrophobicContact CZ-CG 4.06Å |
| 518 | T | 86.3 | Confident | 89.8 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | trans | -58.9 | 124.8 | 175.2 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | W516 R520 S521 | W516-T518 PolarHBondContact O-N 3.07Å; T518-R520 PolarHBondContact O-N 2.97Å; T518-S521 PolarHBondContact O-N 2.99Å; T518-S521 PolarHBondContact O-OG 3.11Å | ||
| 519 | P | 81.8 | Confident | 90 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 137.2 | 177.4 | -25.5 | 35.1 | 0 | 0 | 0 | 112.4 | F517 S521 | F517-P519 WeakPolarHBondContact O-CD 3.33Å; P519-S521 PolarHBondContact O-N 3.3Å |
| 520 | R | 79.3 | Confident | 90.2 | Very high | 193 Ų | 193 | 55.3 Ų | 55.3 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 5.9 | -177.1 | -62.7 | 178.2 | -79.9 | -112.5 | 0.8 | 116.5 | N452 T518 | N452-R520 PolarHBondContact ND2-O 2.92Å; T518-R520 PolarHBondContact O-N 2.97Å |
| 521 | S | 86.7 | Confident | 90.5 | Very high | 40 Ų | 40 | 50 Ų | 50 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -82.2 | 160.5 | 162.2 | 75.6 | 0 | 0 | 0 | 0 | 111 | N452 T518 P519 Q523 | N452-S521 WeakPolarHBondContact CB-O 3.42Å; T518-S521 PolarHBondContact O-N 2.99Å; T518-S521 PolarHBondContact O-OG 3.11Å; P519-S521 PolarHBondContact O-N 3.3Å; S521-Q523 PolarHBondContact OG-NE2 2.83Å |
| 522 | Q | 88.2 | Confident | 90.8 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | trans | -73.9 | 155 | 166.3 | -63.4 | -174.7 | -13.9 | 0 | 0 | 109.7 | N452 G856 | N452-Q522 HydrophobicContact CB-CG 3.87Å; N452-Q522 VanDerWaalsContact CG-CG 3.49Å; N452-Q522 WeakPolarHBondContact OD1-CG 3.27Å; N452-Q522 PolarHBondContact OD1-NE2 3.25Å; Q522-G856 PolarHBondContact NE2-O 3.07Å; Q522-G856 VanDerWaalsContact NE2-O 3.09Å; Q522-G856 PolarHBondContact OE1-O 3.09Å | ||
| 523 | Q | 92.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | trans | -151.1 | 161.6 | -169.9 | -63.8 | -65.5 | -8.5 | 0 | 0 | 111.1 | Y455 F517 S521 Y858 | Y455-Q523 HydrophobicContact CD1-CB 3.86Å; Y455-Q523 HydrophobicContact CD2-CB 4.21Å; Y455-Q523 HydrophobicContact CE1-CB 3.7Å; Y455-Q523 HydrophobicContact CE1-CG 3.89Å; Y455-Q523 HydrophobicContact CE2-CB 4.1Å; Y455-Q523 HydrophobicContact CG-CB 4.11Å; F517-Q523 HydrophobicContact CB-CG 4.34Å; F517-Q523 HydrophobicContact CD1-CG 4.38Å; F517-Q523 HydrophobicContact CD2-CB 3.86Å; F517-Q523 HydrophobicContact CD2-CG 3.49Å; F517-Q523 VanDerWaalsContact CD2-CG 3.49Å; F517-Q523 HydrophobicContact CE2-CB 3.52Å; F517-Q523 HydrophobicContact CE2-CG 3.73Å; F517-Q523 HydrophobicContact CG-CG 3.84Å; F517-Q523 HydrophobicContact CZ-CB 3.94Å; F517-Q523 HydrophobicContact CZ-CG 4.26Å; S521-Q523 PolarHBondContact OG-NE2 2.83Å; Q523-Y858 WeakPolarHBondContact O-CE2 3.38Å | ||
| 524 | D | 92.7 | Very high | 91 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | trans | -78.1 | 128.5 | 177.1 | -166.3 | -66 | 0 | 0 | 0 | 111.4 | S526 E527 Y528 Y942 | D524-S526 WeakPolarHBondContact OD1-CA 3.41Å; D524-S526 WeakPolarHBondContact OD1-CB 3.17Å; D524-S526 PolarHBondContact OD1-N 3.17Å; D524-S526 PolarHBondContact OD1-OG 3.08Å; D524-E527 HydrophobicContact CB-CB 3.98Å; D524-E527 PolarHBondContact OD1-N 3.28Å; D524-Y528 PolarHBondContact O-N 3.47Å; D524-Y942 PolarHBondContact OD1-OH 3.09Å; D524-Y942 VanDerWaalsContact OD1-OH 3.09Å; D524-Y942 PolarHBondContact OD2-OH 3.24Å; D524-Y942 VanDerWaalsContact OD2-OH 3.07Å | ||
| 525 | C | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.7 | -24.9 | -177.8 | 80.4 | 0 | 0 | 0 | 0 | 113.3 | V459 L529 Y858 Y942 | V459-C525 HydrophobicContact CG2-CB 3.95Å; V459-C525 WeakPolarHBondContact CG2-O 3.48Å; C525-L529 WeakPolarHBondContact O-CB 3.27Å; C525-L529 PolarHBondContact O-N 2.91Å; C525-Y858 HydrophobicContact CB-CD1 4.02Å; C525-Y858 HydrophobicContact CB-CE1 3.81Å; C525-Y858 HydrophobicContact CB-CG 4.44Å; C525-Y858 WeakPolarHBondContact SG-CE1 3.34Å; C525-Y942 VanDerWaalsContact SG-CD1 3.58Å |
| 526 | S | 93.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -76.7 | -37.1 | 177.1 | 79.9 | 0 | 0 | 0 | 0 | 111.2 | D524 L529 R530 Y942 | D524-S526 WeakPolarHBondContact OD1-CA 3.41Å; D524-S526 WeakPolarHBondContact OD1-CB 3.17Å; D524-S526 PolarHBondContact OD1-N 3.17Å; D524-S526 PolarHBondContact OD1-OG 3.08Å; S526-L529 PolarHBondContact O-N 3.47Å; S526-R530 VanDerWaalsContact C-NH1 3.31Å; S526-R530 WeakPolarHBondContact O-CG 3.25Å; S526-R530 PolarHBondContact O-N 2.81Å; S526-R530 PolarHBondContact O-NH1 3.21Å; S526-R530 PolarHBondContact OG-NH1 3.41Å; S526-Y942 PolarHBondContact OG-OH 3.42Å |
| 527 | E | 94.4 | Very high | 91.1 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 33% | 0.327 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.1 | -170.8 | -176.7 | 173.2 | 0 | 0 | 111.2 | W516 F517 D524 L529 R530 F531 | W516-E527 PolarHBondContact NE1-OE1 2.87Å; F517-E527 VanDerWaalsContact CE1-CD 3.5Å; F517-E527 HydrophobicContact CE1-CG 4.19Å; F517-E527 HydrophobicContact CZ-CB 4.2Å; F517-E527 HydrophobicContact CZ-CG 4.06Å; D524-E527 HydrophobicContact CB-CB 3.98Å; D524-E527 PolarHBondContact OD1-N 3.28Å; E527-L529 VanDerWaalsContact C-N 3.34Å; E527-L529 PolarHBondContact O-N 3.15Å; E527-R530 PolarHBondContact O-N 3.04Å; E527-F531 PolarHBondContact O-N 3.16Å |
| 528 | Y | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 172.4 | 178.7 | -103.8 | 0 | 0 | 0 | 112.6 | Y455 M456 V459 F508 S512 P514 D524 L532 | Y455-Y528 HydrophobicContact CD2-CD1 4.35Å; Y455-Y528 HydrophobicContact CD2-CD2 4.38Å; Y455-Y528 AromaticContact CD2-CG 3.9Å; Y455-Y528 HydrophobicContact CD2-CG 3.9Å; Y455-Y528 AromaticContact CE2-CD2 3.83Å; Y455-Y528 HydrophobicContact CE2-CD2 3.83Å; Y455-Y528 AromaticContact CE2-CG 3.83Å; Y455-Y528 HydrophobicContact CE2-CG 3.83Å; M456-Y528 HydrophobicContact CB-CD1 4.3Å; M456-Y528 HydrophobicContact CB-CE1 3.89Å; M456-Y528 HydrophobicContact CG-CE1 3.72Å; M456-Y528 HydrophobicContact CG-CE2 4.49Å; M456-Y528 WeakPolarHBondContact CG-OH 3.45Å; V459-Y528 HydrophobicContact CB-CD1 4.21Å; V459-Y528 HydrophobicContact CB-CE1 4.45Å; V459-Y528 HydrophobicContact CG1-CD1 4.09Å; V459-Y528 HydrophobicContact CG1-CE1 4.19Å; V459-Y528 HydrophobicContact CG2-CD1 4.44Å; F508-Y528 VanDerWaalsContact CE1-OH 3.29Å; F508-Y528 WeakPolarHBondContact CE1-OH 3.32Å; S512-Y528 VanDerWaalsContact CB-OH 3.32Å; S512-Y528 WeakPolarHBondContact CB-OH 3.3Å; S512-Y528 PolarHBondContact OG-OH 2.96Å; P514-Y528 HydrophobicContact CG-CD2 4.45Å; D524-Y528 PolarHBondContact O-N 3.47Å; Y528-L532 HydrophobicContact CE1-CD2 4.02Å; Y528-L532 VanDerWaalsContact O-CB 3.27Å; Y528-L532 WeakPolarHBondContact O-CB 3.29Å; Y528-L532 PolarHBondContact O-N 3.34Å |
| 529 | L | 95.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 178.6 | 173.9 | 57.8 | 0 | 0 | 0 | 112 | V459 L463 C525 S526 E527 L532 L533 I762 V943 | V459-L529 HydrophobicContact CG1-CB 4.11Å; V459-L529 HydrophobicContact CG1-CD1 3.85Å; V459-L529 HydrophobicContact CG1-CG 4.47Å; V459-L529 HydrophobicContact CG2-CB 4.31Å; L463-L529 HydrophobicContact CD1-CD1 4.12Å; L463-L529 HydrophobicContact CD2-CD1 4.43Å; C525-L529 WeakPolarHBondContact O-CB 3.27Å; C525-L529 PolarHBondContact O-N 2.91Å; S526-L529 PolarHBondContact O-N 3.47Å; E527-L529 VanDerWaalsContact C-N 3.34Å; E527-L529 PolarHBondContact O-N 3.15Å; L529-L532 PolarHBondContact O-N 2.97Å; L529-L533 HydrophobicContact CD1-CD1 3.83Å; L529-L533 HydrophobicContact CD1-CG 3.95Å; L529-L533 HydrophobicContact CG-CD1 4.21Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.03Å; L529-I762 HydrophobicContact CD2-CD1 4.28Å; L529-I762 HydrophobicContact CD2-CG2 3.91Å; L529-V943 HydrophobicContact CD2-CG1 3.96Å |
| 530 | R | 93.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -52.6 | 176.8 | -68.8 | 179.3 | -163.5 | 91.3 | 8 | 111.4 | S526 E527 L532 L533 D534 D615 S617 T764 | S526-R530 VanDerWaalsContact C-NH1 3.31Å; S526-R530 WeakPolarHBondContact O-CG 3.25Å; S526-R530 PolarHBondContact O-N 2.81Å; S526-R530 PolarHBondContact O-NH1 3.21Å; S526-R530 PolarHBondContact OG-NH1 3.41Å; E527-R530 PolarHBondContact O-N 3.04Å; R530-L532 VanDerWaalsContact C-N 3.25Å; R530-L532 PolarHBondContact O-N 3.03Å; R530-L533 PolarHBondContact O-N 3.12Å; R530-L533 VanDerWaalsContact O-N 3.11Å; R530-D534 WeakPolarHBondContact O-CB 3.43Å; R530-D534 VanDerWaalsContact O-CG 3.24Å; R530-D534 PolarHBondContact O-N 2.77Å; R530-D615 IonicContact CZ-OD1 3.49Å; R530-D615 IonicContact CZ-OD2 3.65Å; R530-D615 IonicContact NE-OD1 3.74Å; R530-D615 PolarHBondContact NE-OD1 3.02Å; R530-D615 IonicContact NE-OD2 3.68Å; R530-D615 IonicContact NH2-OD1 3.14Å; R530-D615 PolarHBondContact NH2-OD1 2.95Å; R530-D615 IonicContact NH2-OD2 3.76Å; R530-D615 PolarHBondContact NH2-OD2 3.37Å; R530-S617 PolarHBondContact NH2-OG 3.15Å; R530-S617 VanDerWaalsContact NH2-OG 3.13Å; R530-T764 PolarHBondContact NH2-OG1 2.86Å; R530-T764 VanDerWaalsContact NH2-OG1 3.12Å |
| 531 | F | 95.1 | Very high | 91.6 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 16% | 0.158 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.3 | -39.5 | 177.9 | 178.6 | -95.2 | 0 | 0 | 0 | 112.6 | S512 P514 W516 E527 R535 | S512-F531 VanDerWaalsContact O-CE1 3.31Å; S512-F531 WeakPolarHBondContact O-CE1 3.23Å; P514-F531 HydrophobicContact CB-CD1 4.13Å; P514-F531 HydrophobicContact CB-CD2 4.3Å; P514-F531 HydrophobicContact CB-CE1 4.32Å; P514-F531 HydrophobicContact CB-CE2 4.49Å; P514-F531 HydrophobicContact CB-CG 4.12Å; P514-F531 HydrophobicContact CG-CB 4.09Å; P514-F531 HydrophobicContact CG-CD1 3.64Å; P514-F531 HydrophobicContact CG-CD2 4.46Å; P514-F531 HydrophobicContact CG-CE1 4.2Å; P514-F531 HydrophobicContact CG-CG 3.79Å; W516-F531 AromaticContact CH2-CD2 3.69Å; W516-F531 HydrophobicContact CH2-CD2 3.69Å; W516-F531 AromaticContact CH2-CE2 3.98Å; W516-F531 HydrophobicContact CH2-CE2 3.98Å; W516-F531 HydrophobicContact CZ2-CD2 4.23Å; W516-F531 HydrophobicContact CZ3-CD2 4.44Å; W516-F531 HydrophobicContact CZ3-CE2 4.29Å; E527-F531 PolarHBondContact O-N 3.16Å; F531-R535 WeakPolarHBondContact O-CB 3.41Å; F531-R535 PolarHBondContact O-N 3.44Å; F531-R535 VanDerWaalsContact O-N 3.09Å |
| 532 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -46.9 | 176.7 | 177.2 | 59.2 | 0 | 0 | 0 | 111.9 | I460 L463 L484 F508 Y528 L529 R530 L536 | I460-L532 HydrophobicContact CD1-CD2 3.8Å; L463-L532 HydrophobicContact CD1-CD2 4.04Å; L484-L532 HydrophobicContact CD2-CD1 3.92Å; F508-L532 HydrophobicContact CZ-CD1 3.84Å; F508-L532 HydrophobicContact CZ-CD2 4.3Å; Y528-L532 HydrophobicContact CE1-CD2 4.02Å; Y528-L532 VanDerWaalsContact O-CB 3.27Å; Y528-L532 WeakPolarHBondContact O-CB 3.29Å; Y528-L532 PolarHBondContact O-N 3.34Å; L529-L532 PolarHBondContact O-N 2.97Å; R530-L532 VanDerWaalsContact C-N 3.25Å; R530-L532 PolarHBondContact O-N 3.03Å; L532-L536 HydrophobicContact CD1-CD1 3.8Å; L532-L536 HydrophobicContact CD1-CG 4.14Å; L532-L536 HydrophobicContact CG-CD1 4.02Å; L532-L536 WeakPolarHBondContact O-CB 3.28Å; L532-L536 WeakPolarHBondContact O-CD1 3.37Å; L532-L536 WeakPolarHBondContact O-CG 3.37Å; L532-L536 PolarHBondContact O-N 2.82Å |
| 533 | L | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -47.8 | 179.7 | -67.7 | 177.9 | 0 | 0 | 0 | 111.9 | L529 R530 R535 L536 H537 I586 F590 I762 | L529-L533 HydrophobicContact CD1-CD1 3.83Å; L529-L533 HydrophobicContact CD1-CG 3.95Å; L529-L533 HydrophobicContact CG-CD1 4.21Å; L529-L533 WeakPolarHBondContact O-CG 3.45Å; L529-L533 PolarHBondContact O-N 3.03Å; R530-L533 PolarHBondContact O-N 3.12Å; R530-L533 VanDerWaalsContact O-N 3.11Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 3.23Å; L533-L536 PolarHBondContact O-N 2.7Å; L533-H537 PolarHBondContact O-N 3.01Å; L533-I586 HydrophobicContact CB-CG2 4.03Å; L533-I586 HydrophobicContact CD2-CD1 4.06Å; L533-I586 HydrophobicContact CD2-CG2 4.25Å; L533-F590 HydrophobicContact CD2-CD2 3.82Å; L533-F590 HydrophobicContact CD2-CE2 3.89Å; L533-I762 HydrophobicContact CD1-CD1 3.56Å |
| 534 | D | 92.9 | Very high | 90.2 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 179.7 | -65.8 | -16.7 | 0 | 0 | 0 | 111.1 | R530 H537 E538 | R530-D534 WeakPolarHBondContact O-CB 3.43Å; R530-D534 VanDerWaalsContact O-CG 3.24Å; R530-D534 PolarHBondContact O-N 2.77Å; D534-H537 WeakPolarHBondContact O-CB 3.48Å; D534-H537 PolarHBondContact O-N 3.17Å; D534-E538 PolarHBondContact O-N 3.21Å |
| 535 | R | 92.6 | Very high | 89.5 | Confident | 80 Ų | 80 | 44.7 Ų | 44.7 | 30% | 0.302 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.9 | -36.2 | 178.5 | -176.6 | 168.4 | 167.1 | -163.2 | -11.5 | 113 | L484 A511 F531 L533 H537 E539 | L484-R535 HydrophobicContact CD2-CB 4.4Å; L484-R535 HydrophobicContact CD2-CG 3.95Å; A511-R535 PolarHBondContact O-NH1 3.11Å; A511-R535 PolarHBondContact O-NH2 2.93Å; F531-R535 WeakPolarHBondContact O-CB 3.41Å; F531-R535 PolarHBondContact O-N 3.44Å; F531-R535 VanDerWaalsContact O-N 3.09Å; L533-R535 VanDerWaalsContact C-N 3.31Å; L533-R535 PolarHBondContact O-N 3.23Å; R535-H537 VanDerWaalsContact C-N 3.34Å; R535-E539 HydrophobicContact CG-CG 4.35Å; R535-E539 IonicContact CZ-OE1 3.97Å; R535-E539 IonicContact NE-OE1 3.76Å; R535-E539 PolarHBondContact NE-OE1 3.27Å; R535-E539 IonicContact NH2-OE1 3.28Å; R535-E539 PolarHBondContact NH2-OE1 3.4Å; R535-E539 WeakPolarHBondContact O-CB 3.34Å; R535-E539 WeakPolarHBondContact O-CG 3.48Å; R535-E539 PolarHBondContact O-N 2.97Å |
| 536 | L | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -36 | 172.7 | -71.2 | 169.8 | 0 | 0 | 0 | 111.5 | L484 M485 L488 L532 L533 E540 I586 | L484-L536 HydrophobicContact CB-CD2 4.19Å; L484-L536 HydrophobicContact CD2-CD2 4.11Å; L484-L536 HydrophobicContact CD2-CG 4.33Å; L484-L536 HydrophobicContact CG-CD2 3.93Å; M485-L536 HydrophobicContact CB-CD2 4.02Å; M485-L536 HydrophobicContact CE-CB 4.14Å; M485-L536 HydrophobicContact CE-CD2 3.91Å; M485-L536 HydrophobicContact CE-CG 4.45Å; M485-L536 HydrophobicContact SD-CD2 3.97Å; L488-L536 HydrophobicContact CD2-CD1 3.87Å; L532-L536 HydrophobicContact CD1-CD1 3.8Å; L532-L536 HydrophobicContact CD1-CG 4.14Å; L532-L536 HydrophobicContact CG-CD1 4.02Å; L532-L536 WeakPolarHBondContact O-CB 3.28Å; L532-L536 WeakPolarHBondContact O-CD1 3.37Å; L532-L536 WeakPolarHBondContact O-CG 3.37Å; L532-L536 PolarHBondContact O-N 2.82Å; L533-L536 PolarHBondContact O-N 2.7Å; L536-E540 WeakPolarHBondContact O-CB 3.42Å; L536-E540 PolarHBondContact O-N 2.66Å; L536-I586 HydrophobicContact CB-CD1 3.85Å; L536-I586 HydrophobicContact CB-CG1 3.83Å; L536-I586 HydrophobicContact CD1-CD1 4.25Å |
| 537 | H | 90.6 | Very high | 86.8 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -54.2 | 172.6 | 168 | 89.5 | 0 | 0 | 0 | 111.2 | L533 D534 R535 E540 K541 T584 I586 E587 | L533-H537 PolarHBondContact O-N 3.01Å; D534-H537 WeakPolarHBondContact O-CB 3.48Å; D534-H537 PolarHBondContact O-N 3.17Å; R535-H537 VanDerWaalsContact C-N 3.34Å; H537-E540 PolarHBondContact O-N 2.84Å; H537-K541 VanDerWaalsContact NE2-CD 3.26Å; H537-K541 WeakPolarHBondContact NE2-CD 3.49Å; H537-K541 PolarHBondContact NE2-NZ 3.08Å; H537-K541 WeakPolarHBondContact O-CB 3.47Å; H537-K541 PolarHBondContact O-N 2.93Å; H537-T584 PolarHBondContact ND1-OG1 2.73Å; H537-I586 HydrophobicContact CB-CB 4.07Å; H537-I586 HydrophobicContact CB-CG1 4.25Å; H537-I586 HydrophobicContact CB-CG2 4.29Å; H537-E587 VanDerWaalsContact CE1-CD 3.41Å; H537-E587 IonicContact CE1-OE1 3.64Å; H537-E587 PolarHBondContact CE1-OE1 3.44Å; H537-E587 IonicContact CE1-OE2 2.66Å; H537-E587 IonicContact ND1-OE2 3.4Å |
| 538 | E | 89.3 | Confident | 85.1 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | -178.3 | -71.2 | -59.1 | 149.9 | 0 | 0 | 112.8 | D534 E540 K541 I542 | D534-E538 PolarHBondContact O-N 3.21Å; E538-E540 VanDerWaalsContact C-N 3.34Å; E538-E540 PolarHBondContact O-N 3.47Å; E538-K541 PolarHBondContact O-N 3.04Å; E538-K541 IonicContact OE1-NZ 2.65Å; E538-K541 PolarHBondContact OE1-NZ 3.24Å; E538-K541 IonicContact OE2-NZ 2.81Å; E538-I542 WeakPolarHBondContact O-CB 3.31Å; E538-I542 WeakPolarHBondContact O-CD1 3.39Å; E538-I542 VanDerWaalsContact O-CG1 3.24Å; E538-I542 WeakPolarHBondContact O-CG1 3.39Å; E538-I542 PolarHBondContact O-N 2.92Å |
| 539 | E | 87.6 | Confident | 82.9 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.9 | -75.7 | -173.1 | -153.6 | 0 | 0 | 111.8 | L484 R535 L543 | L484-E539 WeakPolarHBondContact CB-OE1 3.2Å; L484-E539 VanDerWaalsContact CB-OE2 3.3Å; L484-E539 WeakPolarHBondContact CB-OE2 3.43Å; L484-E539 PolarHBondContact N-OE2 3.18Å; R535-E539 HydrophobicContact CG-CG 4.35Å; R535-E539 IonicContact CZ-OE1 3.97Å; R535-E539 IonicContact NE-OE1 3.76Å; R535-E539 PolarHBondContact NE-OE1 3.27Å; R535-E539 IonicContact NH2-OE1 3.28Å; R535-E539 PolarHBondContact NH2-OE1 3.4Å; R535-E539 WeakPolarHBondContact O-CB 3.34Å; R535-E539 WeakPolarHBondContact O-CG 3.48Å; R535-E539 PolarHBondContact O-N 2.97Å; E539-L543 WeakPolarHBondContact O-CD1 3.38Å; E539-L543 VanDerWaalsContact O-CG 3.25Å; E539-L543 WeakPolarHBondContact O-CG 3.49Å; E539-L543 PolarHBondContact O-N 3.5Å |
| 540 | E | 85.9 | Confident | 79.9 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 175.7 | -167.9 | -169.4 | 141.8 | 0 | 0 | 112.5 | L536 H537 E538 L543 K544 T584 L585 | L536-E540 WeakPolarHBondContact O-CB 3.42Å; L536-E540 PolarHBondContact O-N 2.66Å; H537-E540 PolarHBondContact O-N 2.84Å; E538-E540 VanDerWaalsContact C-N 3.34Å; E538-E540 PolarHBondContact O-N 3.47Å; E540-L543 WeakPolarHBondContact O-CB 3.45Å; E540-L543 PolarHBondContact O-N 3.1Å; E540-K544 PolarHBondContact O-N 3.42Å; E540-K544 WeakPolarHBondContact OE1-CE 3.49Å; E540-K544 IonicContact OE1-NZ 2.69Å; E540-K544 PolarHBondContact OE1-NZ 3.31Å; E540-T584 HydrophobicContact CB-CG2 4.33Å; E540-T584 VanDerWaalsContact OE1-CA 3.23Å; E540-T584 WeakPolarHBondContact OE1-CA 3.45Å; E540-T584 WeakPolarHBondContact OE2-CB 3.46Å; E540-L585 PolarHBondContact OE1-N 2.63Å; E540-L585 VanDerWaalsContact OE2-CB 3.24Å; E540-L585 WeakPolarHBondContact OE2-CB 3.37Å; E540-L585 PolarHBondContact OE2-N 2.99Å |
| 541 | K | 86.3 | Confident | 77.3 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | -180 | 177.5 | 171 | 168.6 | -171.2 | 0 | 112.2 | H537 E538 L543 K544 V545 T584 | H537-K541 VanDerWaalsContact NE2-CD 3.26Å; H537-K541 WeakPolarHBondContact NE2-CD 3.49Å; H537-K541 PolarHBondContact NE2-NZ 3.08Å; H537-K541 WeakPolarHBondContact O-CB 3.47Å; H537-K541 PolarHBondContact O-N 2.93Å; E538-K541 PolarHBondContact O-N 3.04Å; E538-K541 IonicContact OE1-NZ 2.65Å; E538-K541 PolarHBondContact OE1-NZ 3.24Å; E538-K541 IonicContact OE2-NZ 2.81Å; K541-L543 PolarHBondContact O-N 3.2Å; K541-K544 PolarHBondContact O-N 2.81Å; K541-V545 WeakPolarHBondContact O-CG2 3.31Å; K541-V545 PolarHBondContact O-N 2.94Å; K541-T584 HydrophobicContact CB-CG2 4.13Å |
| 542 | I | 83.9 | Confident | 74.4 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.8 | -68.6 | 165.8 | 0 | 0 | 0 | 110.7 | E538 K544 V545 Q546 | E538-I542 WeakPolarHBondContact O-CB 3.31Å; E538-I542 WeakPolarHBondContact O-CD1 3.39Å; E538-I542 VanDerWaalsContact O-CG1 3.24Å; E538-I542 WeakPolarHBondContact O-CG1 3.39Å; E538-I542 PolarHBondContact O-N 2.92Å; I542-K544 PolarHBondContact O-N 3.37Å; I542-V545 PolarHBondContact O-N 2.9Å; I542-Q546 WeakPolarHBondContact O-CB 3.44Å; I542-Q546 VanDerWaalsContact O-CG 3.31Å; I542-Q546 WeakPolarHBondContact O-CG 3.27Å; I542-Q546 PolarHBondContact O-N 3.27Å |
| 543 | L | 76.8 | Confident | 71.5 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.8 | -72.2 | 169.2 | 0 | 0 | 0 | 112.4 | E539 E540 K541 Q546 S547 | E539-L543 WeakPolarHBondContact O-CD1 3.38Å; E539-L543 VanDerWaalsContact O-CG 3.25Å; E539-L543 WeakPolarHBondContact O-CG 3.49Å; E539-L543 PolarHBondContact O-N 3.5Å; E540-L543 WeakPolarHBondContact O-CB 3.45Å; E540-L543 PolarHBondContact O-N 3.1Å; K541-L543 PolarHBondContact O-N 3.2Å; L543-Q546 PolarHBondContact O-N 3.12Å; L543-S547 WeakPolarHBondContact O-CB 3.39Å; L543-S547 PolarHBondContact O-N 2.96Å |
| 544 | K | 76.9 | Confident | 68.6 | Low | 66 Ų | 66 | 92.9 Ų | 92.9 | 29% | 0.287 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -51.8 | 174.2 | -75.7 | -178.2 | -179 | 173.5 | 0 | 111.9 | E540 K541 I542 Q546 S547 S548 E582 K583 | E540-K544 PolarHBondContact O-N 3.42Å; E540-K544 WeakPolarHBondContact OE1-CE 3.49Å; E540-K544 IonicContact OE1-NZ 2.69Å; E540-K544 PolarHBondContact OE1-NZ 3.31Å; K541-K544 PolarHBondContact O-N 2.81Å; I542-K544 PolarHBondContact O-N 3.37Å; K544-Q546 VanDerWaalsContact C-N 3.27Å; K544-Q546 PolarHBondContact O-N 3.07Å; K544-S547 PolarHBondContact O-N 3.23Å; K544-S547 PolarHBondContact O-OG 2.8Å; K544-S548 PolarHBondContact O-N 3.47Å; K544-S548 PolarHBondContact O-OG 2.69Å; K544-E582 PolarHBondContact NZ-O 2.85Å; K544-K583 PolarHBondContact NZ-O 3.03Å |
| 545 | V | 77.3 | Confident | 65.8 | Low | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | K541 I542 S548 H549 | K541-V545 WeakPolarHBondContact O-CG2 3.31Å; K541-V545 PolarHBondContact O-N 2.94Å; I542-V545 PolarHBondContact O-N 2.9Å; V545-S548 WeakPolarHBondContact CA-OG 3.38Å; V545-S548 PolarHBondContact O-OG 3Å; V545-H549 PolarHBondContact O-CD2 2.95Å; V545-H549 VanDerWaalsContact O-CD2 3.28Å |
| 546 | Q | 67.3 | Low | 62.8 | Low | 124 Ų | 124 | 100.6 Ų | 100.6 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -35.2 | 174.1 | -71.9 | 176.7 | 6.6 | 0 | 0 | 112.9 | I542 L543 K544 H549 | I542-Q546 WeakPolarHBondContact O-CB 3.44Å; I542-Q546 VanDerWaalsContact O-CG 3.31Å; I542-Q546 WeakPolarHBondContact O-CG 3.27Å; I542-Q546 PolarHBondContact O-N 3.27Å; L543-Q546 PolarHBondContact O-N 3.12Å; K544-Q546 VanDerWaalsContact C-N 3.27Å; K544-Q546 PolarHBondContact O-N 3.07Å; Q546-H549 PolarHBondContact O-N 3.36Å |
| 547 | S | 64.3 | Low | 59.6 | Low | 86 Ų | 86 | 106 Ų | 106 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.2 | -33.9 | 177.8 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | L543 K544 H549 | L543-S547 WeakPolarHBondContact O-CB 3.39Å; L543-S547 PolarHBondContact O-N 2.96Å; K544-S547 PolarHBondContact O-N 3.23Å; K544-S547 PolarHBondContact O-OG 2.8Å; S547-H549 VanDerWaalsContact C-N 3.25Å; S547-H549 PolarHBondContact O-N 3.33Å |
| 548 | S | 57.8 | Low | 56.3 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -10.9 | 175.7 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | K544 V545 | K544-S548 PolarHBondContact O-N 3.47Å; K544-S548 PolarHBondContact O-OG 2.69Å; V545-S548 WeakPolarHBondContact CA-OG 3.38Å; V545-S548 PolarHBondContact O-OG 3Å |
| 549 | H | 48.2 | Very low | 53.2 | Low | 148 Ų | 148 | 113.7 Ų | 113.7 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 22.7 | -175.5 | -84.3 | -55.7 | 0 | 0 | 0 | 115 | V545 Q546 S547 P551 | V545-H549 PolarHBondContact O-CD2 2.95Å; V545-H549 VanDerWaalsContact O-CD2 3.28Å; Q546-H549 PolarHBondContact O-N 3.36Å; S547-H549 VanDerWaalsContact C-N 3.25Å; S547-H549 PolarHBondContact O-N 3.33Å; H549-P551 WeakPolarHBondContact O-CD 3.22Å |
| 550 | K | 33.2 | Very low | 50.1 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 79% | 0.787 | 63% | 0.632 | S | S | * | * | trans | -98.8 | 98.1 | 169.2 | -80.6 | -168.7 | 172 | -174.2 | 0 | 112.4 | ||||
| 551 | P | 39 | Very low | 47.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 71% | 0.714 | 66% | 0.656 | S | S | * | * | trans | -64.3 | 153.4 | 157.2 | 30.9 | -34.1 | 0 | 0 | 0 | 109.8 | H549 | H549-P551 WeakPolarHBondContact O-CD 3.22Š| ||
| 552 | S | 34.4 | Very low | 44.5 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | trans | -96.6 | 113.1 | 177.9 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 553 | E | 32.8 | Very low | 41.7 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -134.1 | 115.2 | 172.6 | -71.5 | -171.1 | 166.2 | 0 | 0 | 111 | ||||
| 554 | I | 33.6 | Very low | 39.4 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -146.6 | 94.7 | 156.4 | -56.5 | -176.8 | 0 | 0 | 0 | 107.6 | ||||
| 555 | L | 33.4 | Very low | 37 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | 160.4 | 113.8 | 140.1 | -90.1 | 150 | 0 | 0 | 0 | 112.8 | ||||
| 556 | E | 28.7 | Very low | 34.5 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | 30.6 | 128.7 | 140.3 | -55.5 | 176.6 | 168.1 | 0 | 0 | 119.2 | ||||
| 557 | C | 23.7 | Very low | 32.5 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | 177.1 | 171.8 | 51 | -157.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 558 | S | 21.4 | Very low | 30.8 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 59.1 | 111.3 | 152 | 57.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 559 | E | 25 | Very low | 29.3 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 73.1 | 124.6 | 128.8 | -60.6 | -149.6 | 144.8 | 0 | 0 | 124.7 | |||||
| 560 | T | 23.3 | Very low | 28.2 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 84.7 | 126.5 | 136.9 | 52.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 561 | S | 24.8 | Very low | 28 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | 67.4 | 110 | 138.1 | 62 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 562 | L | 29 | Very low | 27.4 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | 74.6 | 145.6 | 122.9 | -64.4 | 172.8 | 0 | 0 | 0 | 122.9 | |||||
| 563 | Q | 25.6 | Very low | 27.1 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | 92.2 | 91.8 | 145.4 | -131.6 | 92.8 | 30.6 | 0 | 0 | 120.7 | ||||
| 564 | E | 26.8 | Very low | 26.7 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 52.6 | 133.4 | 124.6 | -62 | -176.4 | 119.1 | 0 | 0 | 124.7 | |||||
| 565 | V | 27.5 | Very low | 26.3 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 64.1 | 115.3 | 137.1 | 177.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 566 | A | 24.8 | Very low | 26.2 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | -169.7 | 133.4 | 121.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 567 | S | 25.6 | Very low | 26.2 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 55.1 | 128.5 | 140.3 | -57.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 568 | K | 28.8 | Very low | 26.6 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -79.5 | 171.6 | 161.2 | -67.6 | 175.1 | 173.2 | 176.6 | 0 | 112.2 | ||||
| 569 | A | 25 | Very low | 27.5 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 88.8 | 96.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 570 | A | 25.2 | Very low | 28.6 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | -144.7 | 126.8 | 132 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 571 | V | 28.6 | Very low | 30 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -123.3 | 123.4 | 166.2 | 173.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 572 | L | 27.6 | Very low | 32 | Very low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | trans | 176.1 | 150.2 | 136.3 | -96.4 | 164.7 | 0 | 0 | 0 | 111.5 | ||||
| 573 | T | 28.6 | Very low | 34.6 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | 52 | 78.8 | 157.3 | 52.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 574 | E | 23.9 | Very low | 37.6 | Very low | 190 Ų | 190 | 119.5 Ų | 119.5 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | -127.6 | 134.8 | 129.2 | -73.7 | -159.1 | 149.7 | 0 | 0 | 109.4 | |||||
| 575 | T | 24.8 | Very low | 40.6 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | trans | -90.7 | 117.3 | 173.5 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | R577 | T575-R577 PolarHBondContact O-N 2.61Š| ||
| 576 | P | 30.7 | Very low | 43.7 | Very low | 112 Ų | 112 | 106.4 Ų | 106.4 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | trans | -67.8 | 107.5 | 176.2 | 27.2 | -32.9 | 0 | 0 | 0 | 109.7 | T578 | P576-T578 PolarHBondContact O-N 3.45Š| ||
| 577 | R | 29.6 | Very low | 46.8 | Very low | 225 Ų | 225 | 105.9 Ų | 105.9 | 85% | 0.849 | 60% | 0.596 | S | S | * | * | trans | -72.7 | 81.8 | 163.7 | -73.5 | -178.2 | 172.8 | -177.5 | -3.5 | 107.6 | T575 T579 | T575-R577 PolarHBondContact O-N 2.61Å; R577-T579 PolarHBondContact O-N 2.88Å; R577-T579 VanDerWaalsContact O-N 3.15Å | ||
| 578 | T | 32.6 | Very low | 49.9 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | trans | -51 | 119 | -174.9 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | P576 E582 | P576-T578 PolarHBondContact O-N 3.45Å; T578-E582 WeakPolarHBondContact CA-OE2 3.48Å; T578-E582 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 579 | T | 40.7 | Very low | 53 | Low | 82 Ų | 82 | 94.4 Ų | 94.4 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | trans | -81.4 | 146 | 178 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | R577 S581 E582 | R577-T579 PolarHBondContact O-N 2.88Å; R577-T579 VanDerWaalsContact O-N 3.15Å; T579-S581 PolarHBondContact O-N 2.65Å; T579-S581 PolarHBondContact OG1-OG 3.49Å; T579-E582 PolarHBondContact N-OE2 2.9Å; T579-E582 PolarHBondContact O-N 3.29Å | ||
| 580 | D | 48.1 | Very low | 56.3 | Low | 97 Ų | 97 | 89.6 Ų | 89.6 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -2.3 | -172.1 | -161.3 | 58.4 | 0 | 0 | 0 | 113.6 | E582 K588 | D580-E582 VanDerWaalsContact C-N 3.34Å; D580-K588 WeakPolarHBondContact O-CE 3.45Å; D580-K588 PolarHBondContact O-NZ 2.59Å; D580-K588 IonicContact OD1-NZ 2.7Å; D580-K588 IonicContact OD2-NZ 2.69Å; D580-K588 PolarHBondContact OD2-NZ 3.24Å |
| 581 | S | 52.2 | Low | 59.5 | Low | 92 Ų | 92 | 85.4 Ų | 85.4 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25.6 | 167.2 | 33.8 | 0 | 0 | 0 | 0 | 114.8 | T579 | T579-S581 PolarHBondContact O-N 2.65Å; T579-S581 PolarHBondContact OG1-OG 3.49Å |
| 582 | E | 67.3 | Low | 62.6 | Low | 110 Ų | 110 | 79 Ų | 79 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -79.4 | -44.1 | -168.2 | -63.3 | 177.8 | 127.9 | 0 | 0 | 112.9 | K544 T578 T579 D580 | K544-E582 PolarHBondContact NZ-O 2.85Å; T578-E582 WeakPolarHBondContact CA-OE2 3.48Å; T578-E582 WeakPolarHBondContact CB-OE2 3.29Å; T579-E582 PolarHBondContact N-OE2 2.9Å; T579-E582 PolarHBondContact O-N 3.29Å; D580-E582 VanDerWaalsContact C-N 3.34Å |
| 583 | K | 82.8 | Confident | 65.7 | Low | 54 Ų | 54 | 75.4 Ų | 75.4 | 24% | 0.235 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -52.3 | 140.3 | -175.8 | -67.8 | -178.8 | 175.2 | -179.6 | 0 | 113.8 | K544 E587 K588 E756 | K544-K583 PolarHBondContact NZ-O 3.03Å; K583-E587 VanDerWaalsContact CA-OE2 3.29Å; K583-E587 WeakPolarHBondContact CA-OE2 3.46Å; K583-E587 HydrophobicContact CB-CB 4.14Å; K583-K588 HydrophobicContact CB-CD 4.47Å; K583-K588 HydrophobicContact CB-CG 3.82Å; K583-K588 HydrophobicContact CD-CG 4.25Å; K583-E756 IonicContact NZ-OE1 3.08Å; K583-E756 PolarHBondContact NZ-OE1 3.25Å |
| 584 | T | 89.6 | Confident | 68.8 | Low | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | trans | -71.8 | 163 | 174.3 | 78.3 | 0 | 0 | 0 | 0 | 112.9 | H537 E540 K541 I586 E587 K588 | H537-T584 PolarHBondContact ND1-OG1 2.73Å; E540-T584 HydrophobicContact CB-CG2 4.33Å; E540-T584 VanDerWaalsContact OE1-CA 3.23Å; E540-T584 WeakPolarHBondContact OE1-CA 3.45Å; E540-T584 WeakPolarHBondContact OE2-CB 3.46Å; K541-T584 HydrophobicContact CB-CG2 4.13Å; T584-I586 PolarHBondContact O-N 2.78Å; T584-I586 PolarHBondContact OG1-N 3.11Å; T584-E587 PolarHBondContact N-OE2 3.48Å; T584-E587 PolarHBondContact O-N 3.3Å; T584-E587 VanDerWaalsContact O-N 3.16Å; T584-E587 PolarHBondContact OG1-N 3.24Å; T584-K588 WeakPolarHBondContact O-CG 3.41Å; T584-K588 PolarHBondContact O-N 3.31Å | ||
| 585 | L | 89.1 | Confident | 72.1 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55 | -38.8 | 173.6 | 175.8 | 58.6 | 0 | 0 | 0 | 111.5 | F469 Q472 V473 L476 M485 E540 K588 M589 | F469-L585 HydrophobicContact CD2-CD2 4.28Å; F469-L585 HydrophobicContact CD2-CG 4.26Å; F469-L585 HydrophobicContact CE2-CD2 4.01Å; F469-L585 HydrophobicContact CE2-CG 4.17Å; Q472-L585 HydrophobicContact CB-CD1 3.66Å; Q472-L585 HydrophobicContact CB-CD2 4.42Å; Q472-L585 HydrophobicContact CG-CD1 4.29Å; V473-L585 HydrophobicContact CG2-CD2 3.81Å; L476-L585 HydrophobicContact CD1-CD2 4.22Å; M485-L585 HydrophobicContact CE-CD2 4.06Å; M485-L585 HydrophobicContact SD-CD2 4.5Å; E540-L585 PolarHBondContact OE1-N 2.63Å; E540-L585 VanDerWaalsContact OE2-CB 3.24Å; E540-L585 WeakPolarHBondContact OE2-CB 3.37Å; E540-L585 PolarHBondContact OE2-N 2.99Å; L585-K588 PolarHBondContact O-N 2.9Å; L585-M589 HydrophobicContact CD1-CG 3.77Å; L585-M589 WeakPolarHBondContact O-CB 3.08Å; L585-M589 VanDerWaalsContact O-CG 3.29Å; L585-M589 WeakPolarHBondContact O-CG 3.44Å; L585-M589 PolarHBondContact O-N 2.93Å |
| 586 | I | 92 | Very high | 75.4 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 178.3 | -54.3 | -53.3 | 0 | 0 | 0 | 111 | F469 L533 L536 H537 T584 K588 M589 F590 G591 T614 | F469-I586 HydrophobicContact CE2-CD1 3.96Å; F469-I586 HydrophobicContact CZ-CD1 4.4Å; L533-I586 HydrophobicContact CB-CG2 4.03Å; L533-I586 HydrophobicContact CD2-CD1 4.06Å; L533-I586 HydrophobicContact CD2-CG2 4.25Å; L536-I586 HydrophobicContact CB-CD1 3.85Å; L536-I586 HydrophobicContact CB-CG1 3.83Å; L536-I586 HydrophobicContact CD1-CD1 4.25Å; H537-I586 HydrophobicContact CB-CB 4.07Å; H537-I586 HydrophobicContact CB-CG1 4.25Å; H537-I586 HydrophobicContact CB-CG2 4.29Å; T584-I586 PolarHBondContact O-N 2.78Å; T584-I586 PolarHBondContact OG1-N 3.11Å; I586-K588 VanDerWaalsContact C-N 3.34Å; I586-K588 PolarHBondContact O-N 3.36Å; I586-M589 PolarHBondContact O-N 2.99Å; I586-F590 HydrophobicContact CG2-CD2 4.36Å; I586-F590 PolarHBondContact O-N 2.94Å; I586-G591 PolarHBondContact O-N 2.9Å; I586-T614 HydrophobicContact CG2-CG2 4.48Å |
| 587 | E | 91.1 | Very high | 78.3 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 175.2 | -70.5 | 175.2 | 127.3 | 0 | 0 | 112.4 | H537 K583 T584 G591 | H537-E587 VanDerWaalsContact CE1-CD 3.41Å; H537-E587 IonicContact CE1-OE1 3.64Å; H537-E587 PolarHBondContact CE1-OE1 3.44Å; H537-E587 IonicContact CE1-OE2 2.66Å; H537-E587 IonicContact ND1-OE2 3.4Å; K583-E587 VanDerWaalsContact CA-OE2 3.29Å; K583-E587 WeakPolarHBondContact CA-OE2 3.46Å; K583-E587 HydrophobicContact CB-CB 4.14Å; T584-E587 PolarHBondContact N-OE2 3.48Å; T584-E587 PolarHBondContact O-N 3.3Å; T584-E587 VanDerWaalsContact O-N 3.16Å; T584-E587 PolarHBondContact OG1-N 3.24Å; E587-G591 VanDerWaalsContact O-CA 3.3Å; E587-G591 WeakPolarHBondContact O-CA 3.49Å; E587-G591 PolarHBondContact O-N 3.16Å; E587-G591 VanDerWaalsContact O-N 3.14Å |
| 588 | K | 90.6 | Very high | 81.3 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.3 | -35.1 | 178.8 | -71.4 | -171.7 | 177 | -139.6 | 0 | 113.2 | D580 K583 T584 L585 I586 | D580-K588 WeakPolarHBondContact O-CE 3.45Å; D580-K588 PolarHBondContact O-NZ 2.59Å; D580-K588 IonicContact OD1-NZ 2.7Å; D580-K588 IonicContact OD2-NZ 2.69Å; D580-K588 PolarHBondContact OD2-NZ 3.24Å; K583-K588 HydrophobicContact CB-CD 4.47Å; K583-K588 HydrophobicContact CB-CG 3.82Å; K583-K588 HydrophobicContact CD-CG 4.25Å; T584-K588 WeakPolarHBondContact O-CG 3.41Å; T584-K588 PolarHBondContact O-N 3.31Å; L585-K588 PolarHBondContact O-N 2.9Å; I586-K588 VanDerWaalsContact C-N 3.34Å; I586-K588 PolarHBondContact O-N 3.36Å |
| 589 | M | 92.1 | Very high | 84.2 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -90.9 | -42.6 | -176.7 | -64.4 | -67.9 | 95.4 | 0 | 0 | 113 | F469 Q472 L585 I586 E759 Y760 | F469-M589 HydrophobicContact CB-CG 4.49Å; F469-M589 HydrophobicContact CD2-CG 4.21Å; Q472-M589 PolarHBondContact NE2-SD 3.24Å; L585-M589 HydrophobicContact CD1-CG 3.77Å; L585-M589 WeakPolarHBondContact O-CB 3.08Å; L585-M589 VanDerWaalsContact O-CG 3.29Å; L585-M589 WeakPolarHBondContact O-CG 3.44Å; L585-M589 PolarHBondContact O-N 2.93Å; I586-M589 PolarHBondContact O-N 2.99Å; M589-E759 HydrophobicContact CE-CB 4.31Å; M589-E759 HydrophobicContact CE-CG 4.34Å; M589-E759 PolarHBondContact O-N 2.92Å; M589-Y760 PolarHBondContact O-N 2.79Å |
| 590 | F | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -121.1 | -9.8 | -171.1 | -51.9 | -74 | 0 | 0 | 0 | 113.9 | L463 F469 L533 I586 Y760 I762 L945 | L463-F590 HydrophobicContact CD2-CE1 4.16Å; L463-F590 HydrophobicContact CD2-CE2 4.4Å; L463-F590 HydrophobicContact CD2-CZ 3.67Å; F469-F590 HydrophobicContact CB-CZ 4.27Å; F469-F590 HydrophobicContact CD1-CE2 4.47Å; F469-F590 HydrophobicContact CD1-CZ 4.22Å; F469-F590 AromaticContact CD2-CE2 3.77Å; F469-F590 HydrophobicContact CD2-CE2 3.77Å; F469-F590 HydrophobicContact CD2-CZ 4.15Å; F469-F590 AromaticContact CE2-CE2 3.92Å; F469-F590 HydrophobicContact CE2-CE2 3.92Å; F469-F590 HydrophobicContact CG-CE2 4.06Å; F469-F590 AromaticContact CG-CZ 3.96Å; F469-F590 HydrophobicContact CG-CZ 3.96Å; F469-F590 HydrophobicContact CZ-CE2 4.34Å; L533-F590 HydrophobicContact CD2-CD2 3.82Å; L533-F590 HydrophobicContact CD2-CE2 3.89Å; I586-F590 HydrophobicContact CG2-CD2 4.36Å; I586-F590 PolarHBondContact O-N 2.94Å; F590-Y760 HydrophobicContact CE1-CD2 4.44Å; F590-Y760 HydrophobicContact CE1-CG 4.14Å; F590-I762 HydrophobicContact CB-CD1 4.38Å; F590-I762 HydrophobicContact CD1-CD1 3.82Å; F590-I762 HydrophobicContact CD1-CG1 4.03Å; F590-I762 HydrophobicContact CE1-CD1 4.45Å; F590-I762 HydrophobicContact CG-CD1 4.26Å; F590-L945 HydrophobicContact CE1-CD1 4.25Å |
| 591 | G | 92.8 | Very high | 88.7 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 19% | 0.186 | 19% | 0.188 | C | C | . | . | trans | -77.2 | 121.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | I586 E587 F613 | I586-G591 PolarHBondContact O-N 2.9Å; E587-G591 VanDerWaalsContact O-CA 3.3Å; E587-G591 WeakPolarHBondContact O-CA 3.49Å; E587-G591 PolarHBondContact O-N 3.16Å; E587-G591 VanDerWaalsContact O-N 3.14Å; G591-F613 WeakPolarHBondContact CA-O 3.46Å | ||
| 592 | G | 93.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 172.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A612 F613 E756 | G592-A612 WeakPolarHBondContact O-CA 3.48Å; G592-F613 VanDerWaalsContact C-CE1 3.46Å; G592-F613 PolarHBondContact N-O 3.14Å; G592-F613 PolarHBondContact O-N 2.99Å; G592-E756 CarbonylContact C-O 3.54Å; G592-E756 VanDerWaalsContact CA-O 3.26Å; G592-E756 WeakPolarHBondContact CA-O 3.06Å |
| 593 | K | 93.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 34% | 0.335 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.4 | 173.1 | -65.1 | -176.8 | -175.2 | 135.1 | 0 | 112.9 | V610 E611 T755 E756 | K593-V610 HydrophobicContact CB-CG1 4.25Å; K593-V610 HydrophobicContact CD-CG1 4.25Å; K593-E611 WeakPolarHBondContact CA-O 3.24Å; K593-T755 PolarHBondContact O-N 3.1Å; K593-T755 PolarHBondContact O-OG1 3.31Å; K593-E756 HydrophobicContact CB-CB 3.88Å; K593-E756 HydrophobicContact CD-CB 4.4Å; K593-E756 VanDerWaalsContact CD-OE2 3.24Å; K593-E756 WeakPolarHBondContact CD-OE2 3.36Å; K593-E756 VanDerWaalsContact CE-OE2 3.23Å; K593-E756 WeakPolarHBondContact CE-OE2 3.27Å; K593-E756 HydrophobicContact CG-CB 4.13Å; K593-E756 PolarHBondContact N-O 2.9Å; K593-E756 IonicContact NZ-OE2 3.19Å; K593-E756 PolarHBondContact NZ-OE2 3.05Å; K593-E756 PolarHBondContact O-N 2.69Å |
| 594 | L | 93.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134 | 176.6 | -168.4 | 66.6 | 0 | 0 | 0 | 108.9 | V610 E611 F613 F725 L726 M752 I754 | L594-V610 WeakPolarHBondContact O-CA 3.09Å; L594-E611 PolarHBondContact N-O 2.86Å; L594-E611 PolarHBondContact O-N 2.89Å; L594-F613 HydrophobicContact CB-CD1 4.03Å; L594-F613 HydrophobicContact CB-CE1 4.31Å; L594-F725 HydrophobicContact CD2-CE1 4.19Å; L594-F725 HydrophobicContact CD2-CZ 4.22Å; L594-L726 HydrophobicContact CD1-CD2 4.21Å; L594-M752 HydrophobicContact CD1-CB 4.49Å; L594-M752 HydrophobicContact CD2-CE 3.78Å; L594-I754 HydrophobicContact CD1-CG1 3.93Å |
| 595 | R | 92.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.7 | 173.3 | -170.3 | -173.7 | -58.6 | 174.8 | 7 | 109.3 | H597 K609 V610 Q753 T755 T797 | R595-H597 VanDerWaalsContact CD-CE1 3.41Å; R595-H597 WeakPolarHBondContact CD-CE1 3.21Å; R595-H597 WeakPolarHBondContact CD-NE2 3.44Å; R595-K609 CarbonylContact C-O 3.6Å; R595-K609 WeakPolarHBondContact CA-O 3.36Å; R595-V610 HydrophobicContact CB-CG2 4.27Å; R595-V610 HydrophobicContact CG-CG2 3.91Å; R595-Q753 PolarHBondContact N-O 3.47Å; R595-Q753 PolarHBondContact O-N 2.89Å; R595-T755 HydrophobicContact CB-CG2 3.68Å; R595-T797 PolarHBondContact NH2-OG1 3.23Å; R595-T797 VanDerWaalsContact NH2-OG1 3.16Å |
| 596 | T | 93.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.3 | 174.3 | -56.6 | 0 | 0 | 0 | 0 | 108.6 | I598 Q608 K609 K750 T751 M752 | T596-I598 HydrophobicContact CG2-CG1 4.49Å; T596-Q608 CarbonylContact O-C 3.59Å; T596-Q608 WeakPolarHBondContact O-CA 3.45Å; T596-K609 PolarHBondContact N-O 3.05Å; T596-K609 PolarHBondContact O-N 3.42Å; T596-K750 HydrophobicContact CG2-CG 4.08Å; T596-T751 CarbonylContact C-O 3.58Å; T596-T751 WeakPolarHBondContact CA-O 3.45Å; T596-M752 HydrophobicContact CG2-CG 4.07Å |
| 597 | H | 91.8 | Very high | 91.6 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.4 | 170.7 | -52.1 | 94.6 | 0 | 0 | 0 | 109.4 | R595 T606 S607 K750 T751 Q753 | R595-H597 VanDerWaalsContact CD-CE1 3.41Å; R595-H597 WeakPolarHBondContact CD-CE1 3.21Å; R595-H597 WeakPolarHBondContact CD-NE2 3.44Å; H597-T606 HydrophobicContact CB-CG2 4.08Å; H597-S607 CarbonylContact C-O 3.52Å; H597-S607 WeakPolarHBondContact CA-O 3.49Å; H597-K750 CarbonylContact O-C 3.58Å; H597-K750 WeakPolarHBondContact O-CA 3.36Å; H597-T751 PolarHBondContact N-O 3.37Å; H597-T751 PolarHBondContact O-N 2.87Å; H597-Q753 PolarHBondContact CE1-OE1 3.01Å |
| 598 | I | 93.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 18% | 0.179 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 112.2 | 171.1 | -56.3 | 175.7 | 0 | 0 | 0 | 108.3 | T596 T606 S607 L731 Y737 A748 E749 K750 | T596-I598 HydrophobicContact CG2-CG1 4.49Å; I598-T606 WeakPolarHBondContact O-CA 3.36Å; I598-S607 PolarHBondContact N-O 3.32Å; I598-S607 PolarHBondContact O-N 3.22Å; I598-L731 HydrophobicContact CG2-CD1 4.13Å; I598-Y737 HydrophobicContact CG2-CD1 3.86Å; I598-Y737 HydrophobicContact CG2-CD2 3.98Å; I598-Y737 HydrophobicContact CG2-CE1 4.12Å; I598-Y737 HydrophobicContact CG2-CE2 4.26Å; I598-Y737 HydrophobicContact CG2-CG 3.79Å; I598-A748 HydrophobicContact CG2-CB 3.73Å; I598-E749 CarbonylContact C-O 3.54Å; I598-E749 WeakPolarHBondContact CA-O 3.41Å; I598-K750 HydrophobicContact CG1-CB 4.23Å; I598-K750 HydrophobicContact CG1-CG 4.29Å |
| 599 | C | 92.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.1 | 179.2 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | L601 A748 E749 | C599-L601 PolarHBondContact O-N 3.42Å; C599-A748 CarbonylContact O-C 3.47Å; C599-A748 WeakPolarHBondContact O-CA 3.22Å; C599-A748 WeakPolarHBondContact O-CB 3.41Å; C599-E749 PolarHBondContact N-O 3.16Å; C599-E749 PolarHBondContact O-N 3.33Å |
| 600 | C | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.3 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | N602 C603 R604 S605 C739 | C600-N602 PolarHBondContact O-N 2.65Å; C600-C603 VanDerWaalsContact SG-SG 3.62Å; C600-R604 WeakPolarHBondContact O-CA 3.35Å; C600-R604 PolarHBondContact O-N 3.31Å; C600-S605 PolarHBondContact N-O 2.83Å; C600-C739 HydrophobicContact CB-CB 4.22Å; C600-C739 VanDerWaalsContact SG-SG 3.67Å |
| 601 | L | 92.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.1 | -175.6 | -63.2 | -179.7 | 0 | 0 | 0 | 113.1 | C599 I730 N747 E749 | C599-L601 PolarHBondContact O-N 3.42Å; L601-I730 HydrophobicContact CD1-CG2 4.17Å; L601-N747 WeakPolarHBondContact CB-O 3.18Å; L601-N747 HydrophobicContact CD1-CB 4.16Å; L601-N747 PolarHBondContact N-O 3.12Å; L601-E749 HydrophobicContact CD2-CB 4.25Å |
| 602 | N | 88.6 | Confident | 91.7 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -60.7 | 177.9 | -176.5 | 36.8 | 0 | 0 | 0 | 112.4 | C600 Q746 | C600-N602 PolarHBondContact O-N 2.65Å; N602-Q746 VanDerWaalsContact CB-OE1 3.26Å; N602-Q746 PolarHBondContact ND2-OE1 3.24Å |
| 603 | C | 89.7 | Confident | 91.7 | Very high | 56 Ų | 56 | 63 Ų | 63 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2.3 | -174.4 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | C600 S605 C742 | C600-C603 VanDerWaalsContact SG-SG 3.62Å; C603-S605 PolarHBondContact O-N 2.77Å; C603-S605 VanDerWaalsContact O-N 3.14Å; C603-S605 PolarHBondContact SG-OG 3.48Å; C603-C742 PolarHBondContact SG-SG 2.92Å |
| 604 | R | 90.8 | Very high | 91.7 | Very high | 168 Ų | 168 | 60.7 Ų | 60.7 | 63% | 0.634 | 32% | 0.323 | S | S | * | . | trans | 57.7 | 18.9 | -176.3 | -54.8 | -59.7 | -176.5 | 151.4 | 1.8 | 115.3 | C600 T606 | C600-R604 WeakPolarHBondContact O-CA 3.35Å; C600-R604 PolarHBondContact O-N 3.31Å; R604-T606 PolarHBondContact O-N 3.42Å | ||
| 605 | S | 88.4 | Confident | 91.7 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | trans | -69.4 | 127.4 | 168 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | C600 C603 C739 | C600-S605 PolarHBondContact N-O 2.83Å; C603-S605 PolarHBondContact O-N 2.77Å; C603-S605 VanDerWaalsContact O-N 3.14Å; C603-S605 PolarHBondContact SG-OG 3.48Å; S605-C739 PolarHBondContact OG-SG 2.89Å; S605-C739 VanDerWaalsContact OG-SG 3.36Å | ||
| 606 | T | 87.3 | Confident | 91.9 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | H597 I598 R604 | H597-T606 HydrophobicContact CB-CG2 4.08Å; I598-T606 WeakPolarHBondContact O-CA 3.36Å; R604-T606 PolarHBondContact O-N 3.42Å |
| 607 | S | 89.5 | Confident | 92 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 150.6 | 163 | 61.4 | 0 | 0 | 0 | 0 | 110 | H597 I598 Y737 | H597-S607 CarbonylContact C-O 3.52Å; H597-S607 WeakPolarHBondContact CA-O 3.49Å; I598-S607 PolarHBondContact N-O 3.32Å; I598-S607 PolarHBondContact O-N 3.22Å; S607-Y737 PolarHBondContact OG-OH 3.42Å |
| 608 | Q | 90.7 | Very high | 92.1 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.1 | 179 | 59.9 | 173.7 | -22.1 | 0 | 0 | 111.1 | T596 | T596-Q608 CarbonylContact O-C 3.59Å; T596-Q608 WeakPolarHBondContact O-CA 3.45Å |
| 609 | K | 92.8 | Very high | 92.1 | Very high | 128 Ų | 128 | 58.5 Ų | 58.5 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.3 | 174.6 | -164.5 | -176.6 | -176.7 | -163.7 | 0 | 109 | R595 T596 E611 | R595-K609 CarbonylContact C-O 3.6Å; R595-K609 WeakPolarHBondContact CA-O 3.36Å; T596-K609 PolarHBondContact N-O 3.05Å; T596-K609 PolarHBondContact O-N 3.42Å; K609-E611 HydrophobicContact CD-CG 4.17Å; K609-E611 WeakPolarHBondContact CD-OE1 3.5Å; K609-E611 WeakPolarHBondContact CE-OE1 3.34Å; K609-E611 HydrophobicContact CG-CG 4.2Å; K609-E611 IonicContact NZ-OE1 2.79Å; K609-E611 PolarHBondContact NZ-OE1 3.45Å |
| 610 | V | 93.5 | Very high | 92 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.2 | 173 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | K593 L594 R595 | K593-V610 HydrophobicContact CB-CG1 4.25Å; K593-V610 HydrophobicContact CD-CG1 4.25Å; L594-V610 WeakPolarHBondContact O-CA 3.09Å; R595-V610 HydrophobicContact CB-CG2 4.27Å; R595-V610 HydrophobicContact CG-CG2 3.91Å |
| 611 | E | 92.5 | Very high | 91.5 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143 | -177.7 | -61.1 | -178 | 146.3 | 0 | 0 | 109.2 | K593 L594 K609 | K593-E611 WeakPolarHBondContact CA-O 3.24Å; L594-E611 PolarHBondContact N-O 2.86Å; L594-E611 PolarHBondContact O-N 2.89Å; K609-E611 HydrophobicContact CD-CG 4.17Å; K609-E611 WeakPolarHBondContact CD-OE1 3.5Å; K609-E611 WeakPolarHBondContact CE-OE1 3.34Å; K609-E611 HydrophobicContact CG-CG 4.2Å; K609-E611 IonicContact NZ-OE1 2.79Å; K609-E611 PolarHBondContact NZ-OE1 3.45Å |
| 612 | A | 92.7 | Very high | 90.7 | Very high | 87 Ų | 87 | 62.7 Ų | 62.7 | 72% | 0.719 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 147.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G592 | G592-A612 WeakPolarHBondContact O-CA 3.48Å |
| 613 | F | 94.3 | Very high | 89 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.7 | 176.2 | 69.5 | -94.2 | 0 | 0 | 0 | 111.9 | G591 G592 L594 L616 I754 P758 L761 | G591-F613 WeakPolarHBondContact CA-O 3.46Å; G592-F613 VanDerWaalsContact C-CE1 3.46Å; G592-F613 PolarHBondContact N-O 3.14Å; G592-F613 PolarHBondContact O-N 2.99Å; L594-F613 HydrophobicContact CB-CD1 4.03Å; L594-F613 HydrophobicContact CB-CE1 4.31Å; F613-L616 HydrophobicContact CD1-CD2 4.14Å; F613-L616 HydrophobicContact CD2-CD2 3.58Å; F613-L616 HydrophobicContact CD2-CG 4.05Å; F613-L616 HydrophobicContact CE1-CD2 4.19Å; F613-L616 HydrophobicContact CE2-CD1 4.36Å; F613-L616 HydrophobicContact CE2-CD2 3.65Å; F613-L616 HydrophobicContact CE2-CG 3.84Å; F613-L616 HydrophobicContact CG-CD2 3.83Å; F613-L616 HydrophobicContact CZ-CD2 3.96Å; F613-L616 HydrophobicContact CZ-CG 4.37Å; F613-I754 HydrophobicContact CE1-CG2 4.47Å; F613-I754 HydrophobicContact CZ-CG2 4.4Å; F613-P758 HydrophobicContact CE2-CG 4.41Å; F613-L761 HydrophobicContact CE2-CD1 4.29Å |
| 614 | T | 93.1 | Very high | 86.6 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -114.3 | -28.4 | 171.3 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | I586 I762 | I586-T614 HydrophobicContact CG2-CG2 4.48Å; T614-I762 WeakPolarHBondContact O-CB 3.45Å; T614-I762 WeakPolarHBondContact O-CD1 3.3Å; T614-I762 WeakPolarHBondContact O-CG1 3.49Å |
| 615 | D | 94.7 | Very high | 83.7 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157.4 | 165 | 86.6 | -71.2 | 0 | 0 | 0 | 112.2 | R530 S617 I762 T764 | R530-D615 IonicContact CZ-OD1 3.49Å; R530-D615 IonicContact CZ-OD2 3.65Å; R530-D615 IonicContact NE-OD1 3.74Å; R530-D615 PolarHBondContact NE-OD1 3.02Å; R530-D615 IonicContact NE-OD2 3.68Å; R530-D615 IonicContact NH2-OD1 3.14Å; R530-D615 PolarHBondContact NH2-OD1 2.95Å; R530-D615 IonicContact NH2-OD2 3.76Å; R530-D615 PolarHBondContact NH2-OD2 3.37Å; D615-S617 PolarHBondContact OD2-OG 3.26Å; D615-I762 WeakPolarHBondContact CA-O 3.3Å; D615-I762 HydrophobicContact CB-CB 3.74Å; D615-I762 HydrophobicContact CB-CG2 3.81Å; D615-T764 WeakPolarHBondContact OD2-CB 3.2Å; D615-T764 PolarHBondContact OD2-OG1 3.41Å |
| 616 | L | 95.5 | Very high | 80.9 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.2 | 165.4 | -58.3 | 179.9 | 0 | 0 | 0 | 109.2 | F613 L618 L722 F725 I754 L761 I762 L763 T764 | F613-L616 HydrophobicContact CD1-CD2 4.14Å; F613-L616 HydrophobicContact CD2-CD2 3.58Å; F613-L616 HydrophobicContact CD2-CG 4.05Å; F613-L616 HydrophobicContact CE1-CD2 4.19Å; F613-L616 HydrophobicContact CE2-CD1 4.36Å; F613-L616 HydrophobicContact CE2-CD2 3.65Å; F613-L616 HydrophobicContact CE2-CG 3.84Å; F613-L616 HydrophobicContact CG-CD2 3.83Å; F613-L616 HydrophobicContact CZ-CD2 3.96Å; F613-L616 HydrophobicContact CZ-CG 4.37Å; L616-L618 HydrophobicContact CB-CD2 4.19Å; L616-L618 PolarHBondContact O-N 3.45Å; L616-L722 HydrophobicContact CD1-CD1 4.02Å; L616-F725 HydrophobicContact CD2-CE1 3.97Å; L616-F725 HydrophobicContact CD2-CZ 4.17Å; L616-I754 HydrophobicContact CD1-CD1 3.96Å; L616-L761 HydrophobicContact CD1-CD1 4.11Å; L616-L761 HydrophobicContact CG-CD1 4.41Å; L616-I762 PolarHBondContact N-O 3.03Å; L616-L763 HydrophobicContact CB-CD2 3.82Å; L616-L763 HydrophobicContact CD1-CD2 4.1Å; L616-L763 HydrophobicContact CG-CD2 4.31Å; L616-L763 WeakPolarHBondContact O-CA 3.39Å; L616-T764 PolarHBondContact O-N 3.49Å |
| 617 | S | 95.5 | Very high | 78.3 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 99.1 | 178.1 | -74.3 | 0 | 0 | 0 | 0 | 110.4 | R530 D615 T764 | R530-S617 PolarHBondContact NH2-OG 3.15Å; R530-S617 VanDerWaalsContact NH2-OG 3.13Å; D615-S617 PolarHBondContact OD2-OG 3.26Å; S617-T764 CarbonylContact C-O 2.91Å; S617-T764 WeakPolarHBondContact CA-O 3.45Å |
| 618 | L | 95.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.9 | -173 | -56.3 | -174.5 | 0 | 0 | 0 | 111 | L616 V718 L721 L722 F725 L763 T764 L765 L766 | L616-L618 HydrophobicContact CB-CD2 4.19Å; L616-L618 PolarHBondContact O-N 3.45Å; L618-V718 HydrophobicContact CD1-CG1 4.39Å; L618-L721 HydrophobicContact CB-CB 4.14Å; L618-L721 HydrophobicContact CD1-CB 4.12Å; L618-L722 HydrophobicContact CD1-CB 4.43Å; L618-L722 HydrophobicContact CD2-CD1 4.3Å; L618-F725 HydrophobicContact CD2-CB 3.76Å; L618-F725 HydrophobicContact CD2-CD1 4.48Å; L618-F725 HydrophobicContact CD2-CD2 4.24Å; L618-F725 HydrophobicContact CD2-CG 3.92Å; L618-L763 HydrophobicContact CD1-CB 4.28Å; L618-L763 HydrophobicContact CD1-CD1 4.22Å; L618-L763 HydrophobicContact CD1-CD2 4.33Å; L618-T764 PolarHBondContact N-O 3.36Å; L618-L765 HydrophobicContact CB-CD2 4.16Å; L618-L765 HydrophobicContact CD1-CD2 3.99Å; L618-L766 WeakPolarHBondContact O-CB 3.31Å; L618-L766 PolarHBondContact O-N 2.94Å |
| 619 | A | 92.3 | Very high | 72.5 | Confident | 38 Ų | 38 | 81 Ų | 81 | 31% | 0.314 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 148.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y724 L766 | A619-Y724 HydrophobicContact CB-CE1 4.27Å; A619-Y724 WeakPolarHBondContact O-CD1 3.46Å; A619-L766 HydrophobicContact CB-CD1 4.34Å |
| 620 | F | 90.6 | Very high | 69.3 | Low | 32 Ų | 32 | 79.2 Ų | 79.2 | 14% | 0.14 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 142.3 | 168.9 | -73.2 | -107.8 | 0 | 0 | 0 | 109.7 | L721 L765 L766 R767 I780 D782 V784 | F620-L721 HydrophobicContact CZ-CD1 4.37Å; F620-L765 HydrophobicContact CE2-CB 4.37Å; F620-L766 WeakPolarHBondContact CD2-O 3.26Å; F620-R767 HydrophobicContact CE2-CB 4.41Å; F620-R767 HydrophobicContact CE2-CG 3.61Å; F620-R767 HydrophobicContact CZ-CG 3.72Å; F620-I780 HydrophobicContact CB-CD1 4.18Å; F620-I780 HydrophobicContact CD1-CG2 3.95Å; F620-I780 HydrophobicContact CD2-CD1 4.06Å; F620-I780 HydrophobicContact CE1-CG2 3.95Å; F620-I780 HydrophobicContact CG-CD1 4.07Å; F620-I780 HydrophobicContact CG-CG2 4.32Å; F620-I780 HydrophobicContact CZ-CG2 4.31Å; F620-D782 HydrophobicContact CE1-CB 4.33Å; F620-V784 HydrophobicContact CE1-CG2 3.63Å; F620-V784 HydrophobicContact CZ-CG2 3.81Å |
| 621 | C | 82.6 | Confident | 66.1 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 48% | 0.48 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 134.4 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | Y724 | C621-Y724 HydrophobicContact CB-CD2 4.39Å; C621-Y724 HydrophobicContact CB-CE1 4.4Å; C621-Y724 HydrophobicContact CB-CE2 4.19Å |
| 622 | P | 75.3 | Confident | 62.9 | Low | 70 Ų | 70 | 90.2 Ų | 90.2 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.9 | 178.2 | 27.2 | -35 | 0 | 0 | 0 | 111.7 | S624 Y724 | P622-S624 PolarHBondContact O-N 3.15Å; P622-Y724 VanDerWaalsContact CD-OH 3.28Å; P622-Y724 WeakPolarHBondContact CD-OH 3.49Å |
| 623 | S | 51.6 | Low | 59.7 | Low | 132 Ų | 132 | 93.8 Ų | 93.8 | 92% | 0.923 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -71.1 | 24 | -168.7 | -39 | 0 | 0 | 0 | 0 | 116 | ||
| 624 | S | 38.8 | Very low | 56.5 | Low | 111 Ų | 111 | 98.5 Ų | 98.5 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -156.4 | 43 | -166.4 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | P622 | P622-S624 PolarHBondContact O-N 3.15Š|
| 625 | S | 29.9 | Very low | 53.2 | Low | 83 Ų | 83 | 101.3 Ų | 101.3 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | trans | -157.1 | 61.2 | 169.1 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 626 | L | 30.6 | Very low | 50 | Low | 176 Ų | 176 | 106 Ų | 106 | 92% | 0.921 | 62% | 0.618 | S | S | * | * | trans | -117.4 | 22.4 | 177.3 | -125.9 | 170.1 | 0 | 0 | 0 | 113.2 | ||||
| 627 | E | 32.1 | Very low | 46.5 | Very low | 177 Ų | 177 | 111.2 Ų | 111.2 | 83% | 0.827 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -106.9 | 142.9 | 160.4 | -65.9 | -176.2 | 158.1 | 0 | 0 | 107.7 | ||
| 628 | N | 29.7 | Very low | 43.7 | Very low | 151 Ų | 151 | 114.5 Ų | 114.5 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 69.8 | 54.9 | -178.2 | -55.4 | -29 | 0 | 0 | 0 | 117.7 | ||
| 629 | M | 28.3 | Very low | 40.3 | Very low | 172 Ų | 172 | 119.6 Ų | 119.6 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | trans | -130.8 | 61.1 | 149.4 | -97.8 | -65.6 | -177.7 | 0 | 0 | 110.8 | ||||
| 630 | S | 26.4 | Very low | 37.1 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -127.9 | 117 | 172.3 | 49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 631 | F | 25.8 | Very low | 34 | Very low | 209 Ų | 209 | 129.8 Ų | 129.8 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 131.8 | 171.8 | -74.8 | -98.2 | 0 | 0 | 0 | 109.8 | ||||
| 632 | Q | 26.8 | Very low | 31.3 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -131.9 | 128.5 | 166.5 | -73.5 | -168.9 | -17.4 | 0 | 0 | 109.6 | ||||
| 633 | D | 24.1 | Very low | 29 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -74.8 | 151.2 | 172.7 | -91.3 | -54.2 | 0 | 0 | 0 | 111.8 | ||||
| 634 | P | 27.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -88.8 | 125.3 | -166.8 | 32.9 | -34.8 | 0 | 0 | 0 | 114.3 | ||||
| 635 | A | 23.7 | Very low | 27.1 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -149 | 141.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 636 | S | 26.3 | Very low | 26.9 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | 56.5 | 106.4 | 168.2 | 50.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 637 | S | 23.1 | Very low | 26.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -80.2 | -176.6 | 146.3 | 62.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 638 | P | 37.4 | Very low | 26.4 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -144.7 | -177.3 | 12.1 | 44.4 | -25.4 | 0 | 0 | 0 | 118.3 | ||||
| 639 | S | 22.8 | Very low | 26 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 73.3 | 150.8 | 156.3 | 72.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 640 | T | 24.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | cis | -145.2 | -177.1 | 13 | -31.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 641 | Q | 27.1 | Very low | 26 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -59.1 | 175 | 177.2 | -52.6 | 150.4 | -52.9 | 0 | 0 | 113.4 | ||||
| 642 | D | 25.1 | Very low | 26 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | cis | -161.2 | 170 | 16.6 | -153.4 | -5.5 | 0 | 0 | 0 | 113.3 | ||||
| 643 | G | 26.8 | Very low | 26.9 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 97.4 | 136 | 144 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 644 | G | 23.4 | Very low | 26.9 | Very low | 70 Ų | 70 | 121.6 Ų | 121.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -166.9 | 171.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 645 | L | 26.7 | Very low | 26.8 | Very low | 180 Ų | 180 | 124 Ų | 124 | 94% | 0.942 | 77% | 0.768 | S | S | * | * | trans | -160.8 | 162.6 | 168.3 | -138.2 | 74.5 | 0 | 0 | 0 | 112.8 | ||||
| 646 | M | 27.2 | Very low | 26.7 | Very low | 157 Ų | 157 | 128 Ų | 128 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -93.4 | -170.6 | 172.2 | -49.4 | -177.5 | 122.4 | 0 | 0 | 110.2 | ||||
| 647 | Q | 25.8 | Very low | 27.8 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -172.2 | 173.8 | 21.4 | -123.6 | 145 | -4.2 | 0 | 0 | 106.2 | ||||
| 648 | A | 24.5 | Very low | 27.8 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | cis | -178.7 | -171.7 | -29.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 649 | T | 21.5 | Very low | 27.2 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | 83.4 | 103.3 | 158.6 | -29.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 650 | I | 25.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | 58.7 | 122.6 | 81.2 | -62.4 | 177 | 0 | 0 | 0 | 112.8 | |||||
| 651 | P | 30.5 | Very low | 27 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -150.6 | -178.1 | 67.1 | 40.5 | -19 | 0 | 0 | 0 | 119.3 | |||||
| 652 | S | 24.6 | Very low | 28.2 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -134.2 | -169.7 | 172.5 | 65.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 653 | P | 45.5 | Very low | 28.1 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | -111.6 | -146 | 3.5 | 44.7 | -30.9 | 0 | 0 | 0 | 112.2 | ||||
| 654 | S | 25.3 | Very low | 28.1 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | cis | -152.6 | -159.7 | 1 | 45.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 655 | E | 24.4 | Very low | 28 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | cis | -161.9 | -172.7 | 7 | -145 | 146.5 | -68.5 | 0 | 0 | 111.6 | ||||
| 656 | E | 22.3 | Very low | 27.8 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -140.9 | -164.9 | 179.5 | -44.7 | -169.4 | 133.6 | 0 | 0 | 112.3 | ||||
| 657 | P | 49.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -136 | -156.5 | -14.7 | 32.3 | -7.7 | 0 | 0 | 0 | 114.7 | ||||
| 658 | V | 22.7 | Very low | 27.4 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 108.2 | 145.5 | 157.7 | 170.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 659 | V | 24.9 | Very low | 27.2 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | cis | -171.6 | 158.8 | -41.6 | 99.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 660 | Y | 21.4 | Very low | 27.2 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 59.4 | 114.2 | 162.5 | -85.6 | -121.1 | 0 | 0 | 0 | 124.9 | ||||
| 661 | N | 21.8 | Very low | 27 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 21.6 | 161.2 | 118.2 | -69.9 | -4.2 | 0 | 0 | 0 | 123.7 | |||||
| 662 | P | 52 | Low | 26.7 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -147 | -149.2 | -41.1 | 44.1 | -23.3 | 0 | 0 | 0 | 114 | ||||
| 663 | T | 24.5 | Very low | 26.7 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 88.1 | 123.5 | 154.3 | 34.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 664 | T | 25 | Very low | 25.7 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | 62.9 | 121.1 | 131.5 | -49.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 665 | A | 23.1 | Very low | 25.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | -176.4 | 158.6 | 125.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 666 | A | 22.4 | Very low | 25.4 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -131.8 | -178.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 667 | F | 21 | Very low | 25.5 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 94.5 | 141 | 147.1 | -96.1 | -61.9 | 0 | 0 | 0 | 122.9 | ||||
| 668 | I | 22 | Very low | 24.1 | Very low | 158 Ų | 158 | 137 Ų | 137 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 100.3 | 134.7 | 148.9 | -73.7 | 161.1 | 0 | 0 | 0 | 119.4 | ||||
| 669 | C | 22 | Very low | 24.1 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -70.3 | 169.2 | 175.5 | -132.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 670 | D | 19.8 | Very low | 24 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | -165.6 | 175.7 | 62.9 | -131.4 | -42.1 | 0 | 0 | 0 | 115.6 | |||||
| 671 | S | 23.5 | Very low | 25 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -88 | 164.5 | -179 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 672 | V | 22.9 | Very low | 25.5 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -166.4 | 157.4 | 137.6 | 132.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 673 | V | 25 | Very low | 24.1 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -98.6 | 152.3 | -169.2 | 176 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 674 | N | 23.9 | Very low | 23.9 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -157.1 | 172.8 | 138.7 | -122.1 | -11.8 | 0 | 0 | 0 | 115 | ||||
| 675 | E | 21.7 | Very low | 23.7 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | -106.9 | 174.2 | -150.5 | -58.7 | -171.5 | 90 | 0 | 0 | 118.4 | ||||
| 676 | R | 23.1 | Very low | 23.4 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -11.6 | 158.9 | 153.6 | -58.9 | 169.2 | 178.3 | 161 | -0.9 | 117.3 | ||||
| 677 | T | 22.9 | Very low | 23.3 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | -179.1 | 133.6 | 76.2 | -61 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 678 | T | 21.7 | Very low | 23.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 39.9 | 139.4 | 158.9 | 64.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 679 | G | 22.7 | Very low | 23.2 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 176.3 | 135.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 680 | S | 21.3 | Very low | 23.1 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -163.1 | 174.5 | -179.6 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 681 | P | 43.5 | Very low | 23.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -103.6 | -170.7 | -92.6 | 42.4 | -30.7 | 0 | 0 | 0 | 112.7 | |||||
| 682 | P | 32.6 | Very low | 23 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -154.6 | 166.4 | 87.8 | 39.9 | -19.8 | 0 | 0 | 0 | 118.8 | |||||
| 683 | N | 21.5 | Very low | 23.2 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | 43.3 | 120.7 | 152.6 | -69.3 | 51.8 | 0 | 0 | 0 | 125.5 | ||||
| 684 | E | 20.9 | Very low | 23.1 | Very low | 155 Ų | 155 | 139 Ų | 139 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | 43.7 | 127.3 | 121 | -56.7 | 177 | 129.3 | 0 | 0 | 122.7 | |||||
| 685 | F | 19.4 | Very low | 23 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | -164.5 | 178.8 | 108.4 | -114.8 | -80.2 | 0 | 0 | 0 | 111.7 | |||||
| 686 | Y | 18.6 | Very low | 23.1 | Very low | 214 Ų | 214 | 140.1 Ų | 140.1 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -107.9 | 157.7 | -161.6 | -104.9 | -96.3 | 0 | 0 | 0 | 116.3 | ||||
| 687 | C | 18.8 | Very low | 23.1 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 85.9 | 132.5 | 143.5 | -88.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 688 | S | 19.6 | Very low | 23.2 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | 90 | 109.5 | 134.1 | -64.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 689 | E | 21.3 | Very low | 23.2 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 42 | 115.3 | 127.9 | -53 | -179.4 | 154.9 | 0 | 0 | 121.4 | |||||
| 690 | N | 20.3 | Very low | 23.2 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 175 | 134.8 | 97.9 | -97.3 | -74 | 0 | 0 | 0 | 115.6 | |||||
| 691 | T | 20.8 | Very low | 23.3 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 26.6 | 114.8 | 141.3 | -45.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 692 | S | 19.8 | Very low | 22.4 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | -179 | 156.2 | 120.6 | 38.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 693 | V | 28 | Very low | 21.9 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -87.6 | 150.1 | -170.3 | -148.9 | 0 | 0 | 0 | 0 | 111.5 | N695 | V693-N695 HydrophobicContact CG1-CB 4.17Š| ||
| 694 | P | 23.3 | Very low | 22.2 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | -134.2 | 158.3 | 94.6 | 38.1 | -28.7 | 0 | 0 | 0 | 113.7 | |||||
| 695 | N | 22.2 | Very low | 22.4 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | -131.7 | 112.7 | -175.3 | 177.6 | 13.3 | 0 | 0 | 0 | 110.2 | V693 S697 | V693-N695 HydrophobicContact CG1-CB 4.17Å; N695-S697 PolarHBondContact OD1-OG 3.04Å; N695-S697 VanDerWaalsContact OD1-OG 3.11Å | ||
| 696 | E | 22.8 | Very low | 22.7 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | trans | -121.2 | 134.1 | 162.2 | -74.6 | -158.2 | 134.5 | 0 | 0 | 109.5 | ||||
| 697 | S | 23.3 | Very low | 23.1 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -138 | 119 | -172.1 | -74.9 | 0 | 0 | 0 | 0 | 111.1 | N695 | N695-S697 PolarHBondContact OD1-OG 3.04Å; N695-S697 VanDerWaalsContact OD1-OG 3.11Å | ||
| 698 | N | 24.2 | Very low | 23.4 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -136 | 101.2 | 160.4 | -87.9 | -55.2 | 0 | 0 | 0 | 108.1 | ||||
| 699 | R | 22.4 | Very low | 23.6 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 78.9 | 91.1 | 80.4 | -81.4 | -175.5 | 164 | -168.8 | -2.4 | 113.4 | L701 | R699-L701 HydrophobicContact CB-CD1 3.9Å; R699-L701 HydrophobicContact CG-CD1 3.89Å | |||
| 700 | I | 23.2 | Very low | 24 | Very low | 170 Ų | 170 | 146 Ų | 146 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -119.2 | 119.3 | 139.4 | -63.3 | 179.2 | 0 | 0 | 0 | 105.4 | ||||
| 701 | L | 22.5 | Very low | 24.2 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 56% | 0.555 | 78% | 0.783 | S | S | * | * | trans | -89.9 | 122.7 | -171.8 | -74.4 | 75.1 | 0 | 0 | 0 | 110.5 | R699 | R699-L701 HydrophobicContact CB-CD1 3.9Å; R699-L701 HydrophobicContact CG-CD1 3.89Å | ||
| 702 | V | 24.2 | Very low | 24.7 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -108.1 | 97.4 | 153.8 | 178.8 | 0 | 0 | 0 | 0 | 106.2 | K704 | V702-K704 PolarHBondContact O-N 3.27Š| ||
| 703 | N | 22.7 | Very low | 25.5 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -71.6 | 100.8 | 179.4 | -82.2 | 10 | 0 | 0 | 0 | 110.4 | ||||
| 704 | K | 27.3 | Very low | 26.9 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 177.6 | 145.3 | -72.8 | -173.4 | 171 | -175.4 | 0 | 109.8 | V702 | V702-K704 PolarHBondContact O-N 3.27Š| ||
| 705 | D | 25 | Very low | 29.4 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 71.1 | 87.2 | 161.8 | -48.4 | -30.6 | 0 | 0 | 0 | 116.8 | ||||
| 706 | V | 26.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 132 | 143.1 | 176.2 | 0 | 0 | 0 | 0 | 106.3 | ||
| 707 | P | 26.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 145.3 | -169.6 | 27.4 | -35.6 | 0 | 0 | 0 | 113.4 | K709 | P707-K709 PolarHBondContact O-N 3.31Š|
| 708 | Q | 25.3 | Very low | 39 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 93% | 0.93 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.4 | 171.7 | -69.9 | 177.2 | -30.9 | 0 | 0 | 111.1 | ||
| 709 | K | 24.8 | Very low | 42.3 | Very low | 193 Ų | 193 | 120 Ų | 120 | 84% | 0.839 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -87 | 144 | 157.4 | -77.3 | -176.6 | 176.2 | 179 | 0 | 109.1 | P707 G711 | P707-K709 PolarHBondContact O-N 3.31Å; K709-G711 PolarHBondContact O-N 3.01Å |
| 710 | P | 29.8 | Very low | 45.6 | Very low | 141 Ų | 141 | 114.4 Ų | 114.4 | 92% | 0.916 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -76.2 | 92 | 169.6 | 31.2 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 711 | G | 24.3 | Very low | 49 | Very low | 60 Ų | 60 | 106.7 Ų | 106.7 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | trans | -161.3 | 127.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | K709 E713 | K709-G711 PolarHBondContact O-N 3.01Å; G711-E713 PolarHBondContact O-N 2.64Å | ||
| 712 | G | 30.5 | Very low | 52.3 | Low | 76 Ų | 76 | 101.7 Ų | 101.7 | 78% | 0.784 | 58% | 0.583 | S | S | * | * | trans | -79.8 | 113.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T714 | G712-T714 PolarHBondContact O-N 3.25Š| ||
| 713 | E | 38.3 | Very low | 55.5 | Low | 196 Ų | 196 | 99.5 Ų | 99.5 | 92% | 0.916 | 57% | 0.566 | S | S | * | * | trans | -72.1 | 105.7 | 168.3 | -68.3 | -176.2 | 156 | 0 | 0 | 109.7 | G711 T715 | G711-E713 PolarHBondContact O-N 2.64Å; E713-T715 PolarHBondContact O-N 3.1Å | ||
| 714 | T | 56 | Low | 58.8 | Low | 130 Ų | 130 | 97.5 Ų | 97.5 | 80% | 0.798 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 122.5 | 173.4 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | G712 | G712-T714 PolarHBondContact O-N 3.25Š|
| 715 | T | 75.4 | Confident | 61.9 | Low | 84 Ų | 84 | 91.6 Ų | 91.6 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 126.2 | 174.7 | 53 | 0 | 0 | 0 | 0 | 110.4 | E713 | E713-T715 PolarHBondContact O-N 3.1Š|
| 716 | P | 86.8 | Confident | 65.1 | Low | 49 Ų | 49 | 85.8 Ų | 85.8 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 145.2 | -176 | 26.1 | -34.7 | 0 | 0 | 0 | 111.6 | V784 S785 | P716-V784 HydrophobicContact CG-CG2 4.38Å; P716-V784 CarbonylContact O-C 3.25Å; P716-V784 VanDerWaalsContact O-CA 3.24Å; P716-V784 WeakPolarHBondContact O-CA 3.29Å; P716-S785 PolarHBondContact O-N 2.69Å |
| 717 | S | 92.3 | Very high | 68.2 | Low | 17 Ų | 17 | 81.2 Ų | 81.2 | 12% | 0.119 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 164.3 | 175.6 | 74.3 | 0 | 0 | 0 | 0 | 112.6 | T719 D720 L721 S785 | S717-T719 PolarHBondContact O-N 3.21Å; S717-T719 WeakPolarHBondContact OG-CB 3.41Å; S717-T719 PolarHBondContact OG-N 2.85Å; S717-D720 WeakPolarHBondContact CA-OD2 3.3Å; S717-D720 VanDerWaalsContact CB-OD2 3.26Å; S717-D720 WeakPolarHBondContact CB-OD2 3.45Å; S717-D720 PolarHBondContact N-OD2 3.43Å; S717-D720 PolarHBondContact O-N 2.98Å; S717-D720 VanDerWaalsContact O-N 3.14Å; S717-D720 PolarHBondContact OG-N 3.15Å; S717-D720 VanDerWaalsContact OG-N 3.08Å; S717-D720 PolarHBondContact OG-OD2 3.47Å; S717-L721 PolarHBondContact O-N 3.35Å; S717-S785 VanDerWaalsContact CA-OG 3.26Å; S717-S785 WeakPolarHBondContact CA-OG 3.45Å; S717-S785 WeakPolarHBondContact CB-OG 3.46Å |
| 718 | V | 92.6 | Very high | 71.3 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.2 | -33.1 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | L618 L721 L722 L763 V784 S785 L786 P787 L790 L944 | L618-V718 HydrophobicContact CD1-CG1 4.39Å; V718-L721 PolarHBondContact O-N 2.99Å; V718-L722 WeakPolarHBondContact O-CB 3.4Å; V718-L722 PolarHBondContact O-N 3Å; V718-L763 HydrophobicContact CG1-CD1 3.57Å; V718-V784 HydrophobicContact CG2-CG1 3.94Å; V718-S785 PolarHBondContact N-O 2.96Å; V718-S785 VanDerWaalsContact N-O 3.13Å; V718-L786 HydrophobicContact CG2-CD2 3.6Å; V718-P787 HydrophobicContact CB-CG 4.45Å; V718-L790 HydrophobicContact CG1-CD2 4.41Å; V718-L944 HydrophobicContact CB-CD1 4.42Å; V718-L944 HydrophobicContact CG1-CD1 3.93Å; V718-L944 HydrophobicContact CG2-CD1 3.53Å |
| 719 | T | 92.6 | Very high | 74.5 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.5 | -44.4 | 0 | 0 | 0 | 0 | 111.5 | S717 L722 N723 L790 | S717-T719 PolarHBondContact O-N 3.21Å; S717-T719 WeakPolarHBondContact OG-CB 3.41Å; S717-T719 PolarHBondContact OG-N 2.85Å; T719-L722 PolarHBondContact O-N 3.49Å; T719-N723 WeakPolarHBondContact O-CB 3.47Å; T719-N723 PolarHBondContact O-N 3.14Å; T719-N723 PolarHBondContact O-ND2 3.16Å; T719-L790 HydrophobicContact CG2-CD1 4.46Å |
| 720 | D | 92.3 | Very high | 77.7 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68 | -41 | 178 | -55.7 | -52 | 0 | 0 | 0 | 111.6 | S717 L722 N723 Y724 | S717-D720 WeakPolarHBondContact CA-OD2 3.3Å; S717-D720 VanDerWaalsContact CB-OD2 3.26Å; S717-D720 WeakPolarHBondContact CB-OD2 3.45Å; S717-D720 PolarHBondContact N-OD2 3.43Å; S717-D720 PolarHBondContact O-N 2.98Å; S717-D720 VanDerWaalsContact O-N 3.14Å; S717-D720 PolarHBondContact OG-N 3.15Å; S717-D720 VanDerWaalsContact OG-N 3.08Å; S717-D720 PolarHBondContact OG-OD2 3.47Å; D720-L722 VanDerWaalsContact C-N 3.32Å; D720-L722 PolarHBondContact O-N 3.29Å; D720-N723 PolarHBondContact O-N 3.05Å; D720-Y724 VanDerWaalsContact O-CB 3.31Å; D720-Y724 WeakPolarHBondContact O-CB 3.34Å; D720-Y724 PolarHBondContact O-N 3.44Å |
| 721 | L | 93.7 | Very high | 80.7 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66 | -34 | 175.2 | -60.7 | 178.6 | 0 | 0 | 0 | 112.2 | L618 F620 S717 V718 F725 L765 V784 | L618-L721 HydrophobicContact CB-CB 4.14Å; L618-L721 HydrophobicContact CD1-CB 4.12Å; F620-L721 HydrophobicContact CZ-CD1 4.37Å; S717-L721 PolarHBondContact O-N 3.35Å; V718-L721 PolarHBondContact O-N 2.99Å; L721-F725 WeakPolarHBondContact O-CB 3.45Å; L721-F725 PolarHBondContact O-N 3.09Å; L721-L765 HydrophobicContact CD1-CD2 4.01Å; L721-V784 HydrophobicContact CD1-CG1 3.89Å; L721-V784 HydrophobicContact CD1-CG2 4.11Å |
| 722 | L | 93 | Very high | 83.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 173.5 | 178.3 | 64 | 0 | 0 | 0 | 112 | L616 L618 V718 T719 D720 Y724 F725 L726 L790 L792 | L616-L722 HydrophobicContact CD1-CD1 4.02Å; L618-L722 HydrophobicContact CD1-CB 4.43Å; L618-L722 HydrophobicContact CD2-CD1 4.3Å; V718-L722 WeakPolarHBondContact O-CB 3.4Å; V718-L722 PolarHBondContact O-N 3Å; T719-L722 PolarHBondContact O-N 3.49Å; D720-L722 VanDerWaalsContact C-N 3.32Å; D720-L722 PolarHBondContact O-N 3.29Å; L722-Y724 VanDerWaalsContact C-N 3.35Å; L722-F725 PolarHBondContact O-N 3.05Å; L722-L726 HydrophobicContact CD1-CD1 4.28Å; L722-L726 HydrophobicContact CG-CD1 4.46Å; L722-L726 WeakPolarHBondContact O-CG 3.41Å; L722-L726 PolarHBondContact O-N 3.1Å; L722-L790 HydrophobicContact CD2-CD1 4.21Å; L722-L790 HydrophobicContact CD2-CD2 4.28Å; L722-L790 HydrophobicContact CD2-CG 4.45Å; L722-L792 HydrophobicContact CD1-CD1 4.32Å; L722-L792 HydrophobicContact CD2-CD1 3.94Å |
| 723 | N | 91.4 | Very high | 86.9 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175 | -73.2 | -24.3 | 0 | 0 | 0 | 111.3 | T719 D720 L726 A727 | T719-N723 WeakPolarHBondContact O-CB 3.47Å; T719-N723 PolarHBondContact O-N 3.14Å; T719-N723 PolarHBondContact O-ND2 3.16Å; D720-N723 PolarHBondContact O-N 3.05Å; N723-L726 CarbonylContact O-C 3.53Å; N723-L726 PolarHBondContact O-N 2.95Å; N723-A727 PolarHBondContact O-N 3.4Å |
| 724 | Y | 91.9 | Very high | 89.4 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 173.5 | 178.7 | -112.6 | 0 | 0 | 0 | 112.2 | A619 C621 P622 D720 L722 L726 A727 | A619-Y724 HydrophobicContact CB-CE1 4.27Å; A619-Y724 WeakPolarHBondContact O-CD1 3.46Å; C621-Y724 HydrophobicContact CB-CD2 4.39Å; C621-Y724 HydrophobicContact CB-CE1 4.4Å; C621-Y724 HydrophobicContact CB-CE2 4.19Å; P622-Y724 VanDerWaalsContact CD-OH 3.28Å; P622-Y724 WeakPolarHBondContact CD-OH 3.49Å; D720-Y724 VanDerWaalsContact O-CB 3.31Å; D720-Y724 WeakPolarHBondContact O-CB 3.34Å; D720-Y724 PolarHBondContact O-N 3.44Å; L722-Y724 VanDerWaalsContact C-N 3.35Å; Y724-L726 PolarHBondContact O-N 3.34Å; Y724-A727 WeakPolarHBondContact O-CB 3.42Å; Y724-A727 PolarHBondContact O-N 2.91Å |
| 725 | F | 92.3 | Very high | 91.2 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 21% | 0.211 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -25 | 175.1 | 179.5 | -90 | 0 | 0 | 0 | 113.8 | L594 L616 L618 L721 L722 M752 | L594-F725 HydrophobicContact CD2-CE1 4.19Å; L594-F725 HydrophobicContact CD2-CZ 4.22Å; L616-F725 HydrophobicContact CD2-CE1 3.97Å; L616-F725 HydrophobicContact CD2-CZ 4.17Å; L618-F725 HydrophobicContact CD2-CB 3.76Å; L618-F725 HydrophobicContact CD2-CD1 4.48Å; L618-F725 HydrophobicContact CD2-CD2 4.24Å; L618-F725 HydrophobicContact CD2-CG 3.92Å; L721-F725 WeakPolarHBondContact O-CB 3.45Å; L721-F725 PolarHBondContact O-N 3.09Å; L722-F725 PolarHBondContact O-N 3.05Å; F725-M752 HydrophobicContact CE1-CE 4.04Å; F725-M752 HydrophobicContact CE2-CE 4.27Å; F725-M752 HydrophobicContact CZ-CE 3.81Å |
| 726 | L | 92 | Very high | 91.9 | Very high | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 3.7 | 179.3 | -61.7 | 175.8 | 0 | 0 | 0 | 113.6 | L594 L722 N723 Y724 I754 P793 | L594-L726 HydrophobicContact CD1-CD2 4.21Å; L722-L726 HydrophobicContact CD1-CD1 4.28Å; L722-L726 HydrophobicContact CG-CD1 4.46Å; L722-L726 WeakPolarHBondContact O-CG 3.41Å; L722-L726 PolarHBondContact O-N 3.1Å; N723-L726 CarbonylContact O-C 3.53Å; N723-L726 PolarHBondContact O-N 2.95Å; Y724-L726 PolarHBondContact O-N 3.34Å; L726-I754 HydrophobicContact CD1-CD1 4.26Å; L726-I754 HydrophobicContact CD2-CD1 4.5Å; L726-I754 HydrophobicContact CD2-CG1 4.17Å; L726-P793 HydrophobicContact CD1-CG 3.68Å |
| 727 | A | 90.8 | Very high | 92.1 | Very high | 42 Ų | 42 | 61.1 Ų | 61.1 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -67.3 | 151.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N723 Y724 | N723-A727 PolarHBondContact O-N 3.4Å; Y724-A727 WeakPolarHBondContact O-CB 3.42Å; Y724-A727 PolarHBondContact O-N 2.91Å |
| 728 | P | 91.4 | Very high | 92.1 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -69.2 | 131.8 | 171.1 | 29.5 | -34.1 | 0 | 0 | 0 | 110.9 | E749 K750 T751 | P728-E749 HydrophobicContact CB-CG 4.37Å; P728-K750 WeakPolarHBondContact CA-O 3.49Å; P728-T751 HydrophobicContact CB-CG2 4.04Å | ||
| 729 | E | 91.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.4 | 178.8 | -179.1 | -176.4 | -176.1 | 0 | 0 | 109.8 | L731 K750 | E729-L731 HydrophobicContact CG-CD2 4.32Å; E729-L731 PolarHBondContact O-N 3.39Å; E729-K750 HydrophobicContact CB-CB 4.36Å; E729-K750 PolarHBondContact N-O 2.94Å; E729-K750 PolarHBondContact O-N 2.7Å; E729-K750 WeakPolarHBondContact OE2-CD 3.37Å; E729-K750 WeakPolarHBondContact OE2-CE 3.22Å; E729-K750 IonicContact OE2-NZ 2.7Å; E729-K750 PolarHBondContact OE2-NZ 2.95Å |
| 730 | I | 93 | Very high | 92 | Very high | 109 Ų | 109 | 71.9 Ų | 71.9 | 56% | 0.559 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 102.7 | 179.3 | -38.3 | -178.2 | 0 | 0 | 0 | 109.9 | L601 T732 A748 | L601-I730 HydrophobicContact CD1-CG2 4.17Å; I730-T732 HydrophobicContact CB-CG2 4.38Å; I730-T732 HydrophobicContact CG2-CG2 3.7Å; I730-T732 PolarHBondContact O-N 2.74Å; I730-T732 VanDerWaalsContact O-N 3.14Å; I730-A748 CarbonylContact C-O 3.57Å |
| 731 | L | 92.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.12 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 103.4 | 176.9 | -62.1 | -178.1 | 0 | 0 | 0 | 109.8 | I598 E729 N735 N747 A748 K750 | I598-L731 HydrophobicContact CG2-CD1 4.13Å; E729-L731 HydrophobicContact CG-CD2 4.32Å; E729-L731 PolarHBondContact O-N 3.39Å; L731-N735 WeakPolarHBondContact CB-O 3.28Å; L731-N747 VanDerWaalsContact O-CA 3.3Å; L731-N747 WeakPolarHBondContact O-CA 3.32Å; L731-A748 HydrophobicContact CB-CB 4.3Å; L731-A748 WeakPolarHBondContact CB-O 3.41Å; L731-A748 HydrophobicContact CD1-CB 4.44Å; L731-A748 PolarHBondContact N-O 3.45Å; L731-A748 PolarHBondContact O-N 3.4Å; L731-K750 HydrophobicContact CD1-CB 4.06Å; L731-K750 HydrophobicContact CG-CB 4.16Å |
| 732 | T | 91.9 | Very high | 91.7 | Very high | 63 Ų | 63 | 75.3 Ų | 75.3 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | trans | -144.1 | 168.8 | -175.1 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | I730 D734 N735 N747 | I730-T732 HydrophobicContact CB-CG2 4.38Å; I730-T732 HydrophobicContact CG2-CG2 3.7Å; I730-T732 PolarHBondContact O-N 2.74Å; I730-T732 VanDerWaalsContact O-N 3.14Å; T732-D734 PolarHBondContact O-N 3.24Å; T732-N735 PolarHBondContact O-N 3Å; T732-N735 VanDerWaalsContact O-N 3.13Å; T732-N747 HydrophobicContact CG2-CB 4.14Å | ||
| 733 | G | 92.4 | Very high | 91.7 | Very high | 51 Ų | 51 | 78.7 Ų | 78.7 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | 60.2 | -133.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N735 Q736 | G733-N735 PolarHBondContact O-N 3.16Å; G733-N735 VanDerWaalsContact O-N 3.15Å; G733-Q736 VanDerWaalsContact O-CG 3.31Å; G733-Q736 WeakPolarHBondContact O-CG 3.32Å; G733-Q736 PolarHBondContact O-N 3.29Å |
| 734 | D | 91.5 | Very high | 91.7 | Very high | 175 Ų | 175 | 76.4 Ų | 76.4 | 94% | 0.936 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -63.8 | -17.9 | 178.4 | -56 | -39.5 | 0 | 0 | 0 | 113.3 | T732 | T732-D734 PolarHBondContact O-N 3.24Š|
| 735 | N | 92.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 76.6 Ų | 76.6 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -95.1 | 17.7 | 179.3 | -66.9 | -36.2 | 0 | 0 | 0 | 113.6 | L731 T732 G733 | L731-N735 WeakPolarHBondContact CB-O 3.28Å; T732-N735 PolarHBondContact O-N 3Å; T732-N735 VanDerWaalsContact O-N 3.13Å; G733-N735 PolarHBondContact O-N 3.16Å; G733-N735 VanDerWaalsContact O-N 3.15Å |
| 736 | Q | 90.9 | Very high | 91.8 | Very high | 70 Ų | 70 | 76.2 Ų | 76.2 | 33% | 0.327 | 42% | 0.422 | S | S | . | . | trans | -57.7 | 143.7 | 179 | -86.4 | 178.6 | -12.2 | 0 | 0 | 113.5 | G733 L745 N747 | G733-Q736 VanDerWaalsContact O-CG 3.31Å; G733-Q736 WeakPolarHBondContact O-CG 3.32Å; G733-Q736 PolarHBondContact O-N 3.29Å; Q736-L745 HydrophobicContact CB-CB 4.03Å; Q736-L745 HydrophobicContact CB-CD2 4.43Å; Q736-N747 WeakPolarHBondContact CG-OD1 3.46Å; Q736-N747 PolarHBondContact NE2-OD1 3.2Å | ||
| 737 | Y | 91.7 | Very high | 91.9 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 20% | 0.2 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.1 | 177.8 | 169.7 | -119 | 0 | 0 | 0 | 110.9 | I598 S607 C739 Q746 A748 | I598-Y737 HydrophobicContact CG2-CD1 3.86Å; I598-Y737 HydrophobicContact CG2-CD2 3.98Å; I598-Y737 HydrophobicContact CG2-CE1 4.12Å; I598-Y737 HydrophobicContact CG2-CE2 4.26Å; I598-Y737 HydrophobicContact CG2-CG 3.79Å; S607-Y737 PolarHBondContact OG-OH 3.42Å; Y737-C739 HydrophobicContact CD1-CB 4.01Å; Y737-C739 HydrophobicContact CE1-CB 3.87Å; Y737-C739 PolarHBondContact O-N 3.11Å; Y737-C739 VanDerWaalsContact O-N 3.17Å; Y737-Q746 PolarHBondContact N-O 3.28Å; Y737-Q746 PolarHBondContact O-N 3.41Å; Y737-A748 HydrophobicContact CD1-CB 3.9Å; Y737-A748 HydrophobicContact CG-CB 4.06Å |
| 738 | Y | 92.3 | Very high | 92 | Very high | 130 Ų | 130 | 75.9 Ų | 75.9 | 51% | 0.51 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 105.3 | 169 | -173.6 | -94.5 | 0 | 0 | 0 | 110 | L745 | Y738-L745 HydrophobicContact CD2-CD2 4.35Å |
| 739 | C | 91.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.8 | -179 | 175 | 0 | 0 | 0 | 0 | 110 | C600 S605 Y737 N741 C742 A743 S744 Q746 | C600-C739 HydrophobicContact CB-CB 4.22Å; C600-C739 VanDerWaalsContact SG-SG 3.67Å; S605-C739 PolarHBondContact OG-SG 2.89Å; S605-C739 VanDerWaalsContact OG-SG 3.36Å; Y737-C739 HydrophobicContact CD1-CB 4.01Å; Y737-C739 HydrophobicContact CE1-CB 3.87Å; Y737-C739 PolarHBondContact O-N 3.11Å; Y737-C739 VanDerWaalsContact O-N 3.17Å; C739-N741 VanDerWaalsContact C-N 3.31Å; C739-N741 PolarHBondContact O-N 3.36Å; C739-C742 HydrophobicContact CB-CB 4.01Å; C739-C742 CarbonylContact O-C 3.6Å; C739-C742 WeakPolarHBondContact O-CA 3.34Å; C739-C742 PolarHBondContact O-N 3.45Å; C739-A743 PolarHBondContact O-N 3Å; C739-S744 PolarHBondContact N-O 2.84Å; C739-S744 PolarHBondContact O-N 3.46Å; C739-Q746 HydrophobicContact CB-CB 4.25Å; C739-Q746 HydrophobicContact CB-CG 4.01Å |
| 740 | E | 91.8 | Very high | 92.2 | Very high | 157 Ų | 157 | 74.2 Ų | 74.2 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -56.8 | -42.6 | 179.3 | -63.4 | -176.9 | 171.9 | 0 | 0 | 112.1 | C742 A743 | E740-C742 PolarHBondContact O-N 3.32Å; E740-A743 PolarHBondContact O-N 2.95Å |
| 741 | N | 90.3 | Very high | 92.1 | Very high | 132 Ų | 132 | 70.3 Ų | 70.3 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -63.1 | -22 | 175.6 | -71.4 | 37.5 | 0 | 0 | 0 | 114 | C739 | C739-N741 VanDerWaalsContact C-N 3.31Å; C739-N741 PolarHBondContact O-N 3.36Å |
| 742 | C | 89.9 | Confident | 92.1 | Very high | 31 Ų | 31 | 70.8 Ų | 70.8 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -102 | -5.3 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | C603 C739 E740 S744 Q746 | C603-C742 PolarHBondContact SG-SG 2.92Å; C739-C742 HydrophobicContact CB-CB 4.01Å; C739-C742 CarbonylContact O-C 3.6Å; C739-C742 WeakPolarHBondContact O-CA 3.34Å; C739-C742 PolarHBondContact O-N 3.45Å; E740-C742 PolarHBondContact O-N 3.32Å; C742-S744 WeakPolarHBondContact CB-OG 3.35Å; C742-S744 WeakPolarHBondContact O-CB 3.25Å; C742-S744 PolarHBondContact O-N 3.2Å; C742-S744 PolarHBondContact O-OG 3.36Å; C742-Q746 HydrophobicContact CB-CG 3.83Å |
| 743 | A | 91.6 | Very high | 92.1 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 35.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C739 E740 | C739-A743 PolarHBondContact O-N 3Å; E740-A743 PolarHBondContact O-N 2.95Å |
| 744 | S | 92.3 | Very high | 92.2 | Very high | 39 Ų | 39 | 67.3 Ų | 67.3 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 162 | -170.2 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | C739 C742 Q746 | C739-S744 PolarHBondContact N-O 2.84Å; C739-S744 PolarHBondContact O-N 3.46Å; C742-S744 WeakPolarHBondContact CB-OG 3.35Å; C742-S744 WeakPolarHBondContact O-CB 3.25Å; C742-S744 PolarHBondContact O-N 3.2Å; C742-S744 PolarHBondContact O-OG 3.36Å; S744-Q746 PolarHBondContact OG-NE2 2.9Å |
| 745 | L | 94 | Very high | 92.2 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 133.7 | 166.5 | -66.7 | 175.6 | 0 | 0 | 0 | 109.9 | Q736 Y738 | Q736-L745 HydrophobicContact CB-CB 4.03Å; Q736-L745 HydrophobicContact CB-CD2 4.43Å; Y738-L745 HydrophobicContact CD2-CD2 4.35Å |
| 746 | Q | 92.6 | Very high | 92.1 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.7 | -175 | -66.3 | -63.6 | -30.4 | 0 | 0 | 110.3 | N602 Y737 C739 C742 S744 | N602-Q746 VanDerWaalsContact CB-OE1 3.26Å; N602-Q746 PolarHBondContact ND2-OE1 3.24Å; Y737-Q746 PolarHBondContact N-O 3.28Å; Y737-Q746 PolarHBondContact O-N 3.41Å; C739-Q746 HydrophobicContact CB-CB 4.25Å; C739-Q746 HydrophobicContact CB-CG 4.01Å; C742-Q746 HydrophobicContact CB-CG 3.83Å; S744-Q746 PolarHBondContact OG-NE2 2.9Å |
| 747 | N | 93.6 | Very high | 92.1 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | trans | -67.4 | 136.3 | 167.4 | -69.1 | -6.9 | 0 | 0 | 0 | 109.4 | L601 L731 T732 Q736 | L601-N747 WeakPolarHBondContact CB-O 3.18Å; L601-N747 HydrophobicContact CD1-CB 4.16Å; L601-N747 PolarHBondContact N-O 3.12Å; L731-N747 VanDerWaalsContact O-CA 3.3Å; L731-N747 WeakPolarHBondContact O-CA 3.32Å; T732-N747 HydrophobicContact CG2-CB 4.14Å; Q736-N747 WeakPolarHBondContact CG-OD1 3.46Å; Q736-N747 PolarHBondContact NE2-OD1 3.2Å | ||
| 748 | A | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I598 C599 I730 L731 Y737 | I598-A748 HydrophobicContact CG2-CB 3.73Å; C599-A748 CarbonylContact O-C 3.47Å; C599-A748 WeakPolarHBondContact O-CA 3.22Å; C599-A748 WeakPolarHBondContact O-CB 3.41Å; I730-A748 CarbonylContact C-O 3.57Å; L731-A748 HydrophobicContact CB-CB 4.3Å; L731-A748 WeakPolarHBondContact CB-O 3.41Å; L731-A748 HydrophobicContact CD1-CB 4.44Å; L731-A748 PolarHBondContact N-O 3.45Å; L731-A748 PolarHBondContact O-N 3.4Å; Y737-A748 HydrophobicContact CD1-CB 3.9Å; Y737-A748 HydrophobicContact CG-CB 4.06Å |
| 749 | E | 94.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.6 | 170.8 | -173.9 | -172.8 | 167.3 | 0 | 0 | 109.3 | I598 C599 L601 P728 T751 | I598-E749 CarbonylContact C-O 3.54Å; I598-E749 WeakPolarHBondContact CA-O 3.41Å; C599-E749 PolarHBondContact N-O 3.16Å; C599-E749 PolarHBondContact O-N 3.33Å; L601-E749 HydrophobicContact CD2-CB 4.25Å; P728-E749 HydrophobicContact CB-CG 4.37Å; E749-T751 HydrophobicContact CG-CG2 4.08Å |
| 750 | K | 92.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127 | 174.5 | 170.7 | -172.7 | 155 | -151.8 | 0 | 108.8 | T596 H597 I598 P728 E729 L731 M752 | T596-K750 HydrophobicContact CG2-CG 4.08Å; H597-K750 CarbonylContact O-C 3.58Å; H597-K750 WeakPolarHBondContact O-CA 3.36Å; I598-K750 HydrophobicContact CG1-CB 4.23Å; I598-K750 HydrophobicContact CG1-CG 4.29Å; P728-K750 WeakPolarHBondContact CA-O 3.49Å; E729-K750 HydrophobicContact CB-CB 4.36Å; E729-K750 PolarHBondContact N-O 2.94Å; E729-K750 PolarHBondContact O-N 2.7Å; E729-K750 WeakPolarHBondContact OE2-CD 3.37Å; E729-K750 WeakPolarHBondContact OE2-CE 3.22Å; E729-K750 IonicContact OE2-NZ 2.7Å; E729-K750 PolarHBondContact OE2-NZ 2.95Å; L731-K750 HydrophobicContact CD1-CB 4.06Å; L731-K750 HydrophobicContact CG-CB 4.16Å; K750-M752 WeakPolarHBondContact CE-SD 3.3Å |
| 751 | T | 91.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.6 | 175.5 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | T596 H597 P728 E749 Q753 | T596-T751 CarbonylContact C-O 3.58Å; T596-T751 WeakPolarHBondContact CA-O 3.45Å; H597-T751 PolarHBondContact N-O 3.37Å; H597-T751 PolarHBondContact O-N 2.87Å; P728-T751 HydrophobicContact CB-CG2 4.04Å; E749-T751 HydrophobicContact CG-CG2 4.08Å; T751-Q753 PolarHBondContact OG1-NE2 3.3Å |
| 752 | M | 92.2 | Very high | 93 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 17% | 0.167 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.1 | -176.7 | -72.2 | 164.9 | 60.2 | 0 | 0 | 109.7 | L594 T596 F725 K750 | L594-M752 HydrophobicContact CD1-CB 4.49Å; L594-M752 HydrophobicContact CD2-CE 3.78Å; T596-M752 HydrophobicContact CG2-CG 4.07Å; F725-M752 HydrophobicContact CE1-CE 4.04Å; F725-M752 HydrophobicContact CE2-CE 4.27Å; F725-M752 HydrophobicContact CZ-CE 3.81Å; K750-M752 WeakPolarHBondContact CE-SD 3.3Å |
| 753 | Q | 91.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 125.8 | -167.1 | -57.5 | -179.3 | 8.8 | 0 | 0 | 110.8 | R595 H597 T751 K795 | R595-Q753 PolarHBondContact N-O 3.47Å; R595-Q753 PolarHBondContact O-N 2.89Å; H597-Q753 PolarHBondContact CE1-OE1 3.01Å; T751-Q753 PolarHBondContact OG1-NE2 3.3Å; Q753-K795 HydrophobicContact CB-CD 4.3Å; Q753-K795 HydrophobicContact CG-CD 4.13Å |
| 754 | I | 93 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.9 | 176.2 | -57.7 | 174.4 | 0 | 0 | 0 | 108.8 | L594 F613 L616 L726 L792 V794 K795 | L594-I754 HydrophobicContact CD1-CG1 3.93Å; F613-I754 HydrophobicContact CE1-CG2 4.47Å; F613-I754 HydrophobicContact CZ-CG2 4.4Å; L616-I754 HydrophobicContact CD1-CD1 3.96Å; L726-I754 HydrophobicContact CD1-CD1 4.26Å; L726-I754 HydrophobicContact CD2-CD1 4.5Å; L726-I754 HydrophobicContact CD2-CG1 4.17Å; I754-L792 HydrophobicContact CD1-CD1 3.5Å; I754-L792 VanDerWaalsContact CD1-CD1 3.5Å; I754-L792 HydrophobicContact CD1-CD2 4.27Å; I754-L792 HydrophobicContact CD1-CG 3.96Å; I754-V794 HydrophobicContact CG2-CG2 4.29Å; I754-V794 WeakPolarHBondContact O-CA 3.45Å; I754-K795 PolarHBondContact O-N 2.95Å |
| 755 | T | 91.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 28 Ų | 28 | 17% | 0.172 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -23.6 | -173.1 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | K593 R595 | K593-T755 PolarHBondContact O-N 3.1Å; K593-T755 PolarHBondContact O-OG1 3.31Å; R595-T755 HydrophobicContact CB-CG2 3.68Å |
| 756 | E | 90.9 | Very high | 93.7 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 27% | 0.266 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 126.1 | 171.3 | -172.2 | 172 | 174.7 | 0 | 0 | 108.2 | K583 G592 K593 | K583-E756 IonicContact NZ-OE1 3.08Å; K583-E756 PolarHBondContact NZ-OE1 3.25Å; G592-E756 CarbonylContact C-O 3.54Å; G592-E756 VanDerWaalsContact CA-O 3.26Å; G592-E756 WeakPolarHBondContact CA-O 3.06Å; K593-E756 HydrophobicContact CB-CB 3.88Å; K593-E756 HydrophobicContact CD-CB 4.4Å; K593-E756 VanDerWaalsContact CD-OE2 3.24Å; K593-E756 WeakPolarHBondContact CD-OE2 3.36Å; K593-E756 VanDerWaalsContact CE-OE2 3.23Å; K593-E756 WeakPolarHBondContact CE-OE2 3.27Å; K593-E756 HydrophobicContact CG-CB 4.13Å; K593-E756 PolarHBondContact N-O 2.9Å; K593-E756 IonicContact NZ-OE2 3.19Å; K593-E756 PolarHBondContact NZ-OE2 3.05Å; K593-E756 PolarHBondContact O-N 2.69Å |
| 757 | E | 91.9 | Very high | 93.7 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 13% | 0.126 | 12% | 0.121 | C | C | . | . | trans | -107.6 | 125.7 | -168.6 | 79.9 | -72 | 161.4 | 0 | 0 | 113.8 | L792 V794 R796 V838 Y840 K948 | E757-L792 HydrophobicContact CB-CD2 4.07Å; E757-V794 HydrophobicContact CB-CG2 3.78Å; E757-V794 HydrophobicContact CG-CG2 4.19Å; E757-R796 IonicContact OE1-NH2 2.66Å; E757-R796 PolarHBondContact OE1-NH2 2.86Å; E757-R796 IonicContact OE2-CZ 3.77Å; E757-R796 IonicContact OE2-NE 3.85Å; E757-R796 IonicContact OE2-NH2 2.64Å; E757-R796 PolarHBondContact OE2-NH2 3.42Å; E757-V838 HydrophobicContact CG-CG1 4.28Å; E757-V838 HydrophobicContact CG-CG2 4.27Å; E757-Y840 WeakPolarHBondContact CB-OH 3.46Å; E757-Y840 WeakPolarHBondContact CG-OH 3.45Å; E757-K948 PolarHBondContact O-NZ 3.27Å; E757-K948 VanDerWaalsContact OE1-CE 3.25Å; E757-K948 WeakPolarHBondContact OE1-CE 3.46Å; E757-K948 IonicContact OE1-NZ 2.7Å; E757-K948 PolarHBondContact OE1-NZ 3.42Å | ||
| 758 | P | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | trans | -72.2 | 160.1 | -171.3 | 30.9 | -37 | 0 | 0 | 0 | 112.7 | F613 L761 Y840 | F613-P758 HydrophobicContact CE2-CG 4.41Å; P758-L761 HydrophobicContact CG-CB 4.32Å; P758-L761 HydrophobicContact CG-CD1 4.14Å; P758-Y840 WeakPolarHBondContact O-CE1 3.22Å; P758-Y840 PolarHBondContact O-OH 2.87Å | ||
| 759 | E | 93.1 | Very high | 93.3 | Very high | 32 Ų | 32 | 25.3 Ų | 25.3 | 15% | 0.15 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -69.6 | -37.6 | 174.9 | -174.2 | 60.9 | -163.6 | 0 | 0 | 111.9 | M589 K948 H950 | M589-E759 HydrophobicContact CE-CB 4.31Å; M589-E759 HydrophobicContact CE-CG 4.34Å; M589-E759 PolarHBondContact O-N 2.92Å; E759-K948 WeakPolarHBondContact O-CB 3.48Å; E759-K948 PolarHBondContact O-N 2.9Å; E759-K948 WeakPolarHBondContact OE2-CD 3.48Å; E759-H950 VanDerWaalsContact CD-NE2 3.27Å; E759-H950 IonicContact OE1-CD2 3.62Å; E759-H950 IonicContact OE1-CE1 2.67Å; E759-H950 IonicContact OE1-NE2 2.63Å; E759-H950 PolarHBondContact OE1-NE2 2.97Å; E759-H950 IonicContact OE2-CE1 2.83Å; E759-H950 PolarHBondContact OE2-CE1 2.8Å; E759-H950 IonicContact OE2-NE2 3.91Å; E759-H950 PolarHBondContact OE2-NE2 3.22Å |
| 760 | Y | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.2 | 170.8 | -74.2 | -86.9 | 0 | 0 | 0 | 109.9 | A466 T467 D468 M589 F590 L945 Y946 K947 | A466-Y760 HydrophobicContact CB-CD1 4.21Å; A466-Y760 HydrophobicContact CB-CE1 3.67Å; A466-Y760 HydrophobicContact CB-CE2 4.28Å; T467-Y760 PolarHBondContact N-OH 2.68Å; D468-Y760 PolarHBondContact N-OH 2.8Å; M589-Y760 PolarHBondContact O-N 2.79Å; F590-Y760 HydrophobicContact CE1-CD2 4.44Å; F590-Y760 HydrophobicContact CE1-CG 4.14Å; Y760-L945 HydrophobicContact CD1-CD1 4.45Å; Y760-L945 HydrophobicContact CD1-CD2 4.28Å; Y760-L945 HydrophobicContact CD1-CG 4.17Å; Y760-Y946 CarbonylContact C-O 3.59Å; Y760-Y946 VanDerWaalsContact CA-O 3.24Å; Y760-Y946 WeakPolarHBondContact CA-O 3.27Å; Y760-K947 HydrophobicContact CD1-CB 3.97Å; Y760-K947 HydrophobicContact CD1-CG 4.13Å; Y760-K947 HydrophobicContact CE1-CB 3.71Å; Y760-K947 HydrophobicContact CE1-CD 4.02Å; Y760-K947 HydrophobicContact CE1-CG 3.66Å; Y760-K947 HydrophobicContact CE2-CG 4.47Å |
| 761 | L | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.5 | 177.2 | 178.4 | 66.7 | 0 | 0 | 0 | 109.7 | F613 L616 P758 L763 L790 L792 Y840 Y946 | F613-L761 HydrophobicContact CE2-CD1 4.29Å; L616-L761 HydrophobicContact CD1-CD1 4.11Å; L616-L761 HydrophobicContact CG-CD1 4.41Å; P758-L761 HydrophobicContact CG-CB 4.32Å; P758-L761 HydrophobicContact CG-CD1 4.14Å; L761-L763 HydrophobicContact CD1-CD2 4.06Å; L761-L763 HydrophobicContact CD2-CD1 4.49Å; L761-L763 HydrophobicContact CD2-CD2 4Å; L761-L763 HydrophobicContact CD2-CG 4.34Å; L761-L763 HydrophobicContact CG-CD2 3.84Å; L761-L763 HydrophobicContact CG-CG 4.19Å; L761-L790 HydrophobicContact CD2-CD2 4.19Å; L761-L792 HydrophobicContact CD2-CD1 3.85Å; L761-L792 HydrophobicContact CD2-CD2 4.24Å; L761-Y840 HydrophobicContact CB-CD1 3.81Å; L761-Y840 HydrophobicContact CB-CE1 3.76Å; L761-Y840 HydrophobicContact CD2-CD1 4.49Å; L761-Y840 HydrophobicContact CD2-CG 4.47Å; L761-Y946 PolarHBondContact N-O 3.33Å; L761-Y946 PolarHBondContact O-N 3.14Å |
| 762 | I | 97.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.6 | 173.5 | -41.5 | -175 | 0 | 0 | 0 | 108.8 | L529 L533 F590 T614 D615 L616 V943 L944 L945 | L529-I762 HydrophobicContact CD2-CD1 4.28Å; L529-I762 HydrophobicContact CD2-CG2 3.91Å; L533-I762 HydrophobicContact CD1-CD1 3.56Å; F590-I762 HydrophobicContact CB-CD1 4.38Å; F590-I762 HydrophobicContact CD1-CD1 3.82Å; F590-I762 HydrophobicContact CD1-CG1 4.03Å; F590-I762 HydrophobicContact CE1-CD1 4.45Å; F590-I762 HydrophobicContact CG-CD1 4.26Å; T614-I762 WeakPolarHBondContact O-CB 3.45Å; T614-I762 WeakPolarHBondContact O-CD1 3.3Å; T614-I762 WeakPolarHBondContact O-CG1 3.49Å; D615-I762 WeakPolarHBondContact CA-O 3.3Å; D615-I762 HydrophobicContact CB-CB 3.74Å; D615-I762 HydrophobicContact CB-CG2 3.81Å; L616-I762 PolarHBondContact N-O 3.03Å; I762-V943 HydrophobicContact CG2-CG1 3.74Å; I762-L944 WeakPolarHBondContact CA-O 3.45Å; I762-L945 HydrophobicContact CB-CD1 4.48Å; I762-L945 HydrophobicContact CD1-CD1 4.5Å; I762-L945 HydrophobicContact CG1-CD1 3.73Å |
| 763 | L | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.7 | 173.8 | -54 | 177.8 | 0 | 0 | 0 | 109.6 | L616 L618 V718 L761 L790 V943 L944 Y946 | L616-L763 HydrophobicContact CB-CD2 3.82Å; L616-L763 HydrophobicContact CD1-CD2 4.1Å; L616-L763 HydrophobicContact CG-CD2 4.31Å; L616-L763 WeakPolarHBondContact O-CA 3.39Å; L618-L763 HydrophobicContact CD1-CB 4.28Å; L618-L763 HydrophobicContact CD1-CD1 4.22Å; L618-L763 HydrophobicContact CD1-CD2 4.33Å; V718-L763 HydrophobicContact CG1-CD1 3.57Å; L761-L763 HydrophobicContact CD1-CD2 4.06Å; L761-L763 HydrophobicContact CD2-CD1 4.49Å; L761-L763 HydrophobicContact CD2-CD2 4Å; L761-L763 HydrophobicContact CD2-CG 4.34Å; L761-L763 HydrophobicContact CG-CD2 3.84Å; L761-L763 HydrophobicContact CG-CG 4.19Å; L763-L790 HydrophobicContact CD1-CD2 3.7Å; L763-V943 WeakPolarHBondContact O-CA 3.28Å; L763-L944 HydrophobicContact CB-CB 4.27Å; L763-L944 PolarHBondContact N-O 2.93Å; L763-L944 PolarHBondContact O-N 3.3Å; L763-Y946 HydrophobicContact CD1-CD2 4.2Å; L763-Y946 HydrophobicContact CD1-CE2 3.86Å |
| 764 | T | 96.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.3 | 173.6 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | R530 D615 L616 S617 L618 L766 Y942 V943 | R530-T764 PolarHBondContact NH2-OG1 2.86Å; R530-T764 VanDerWaalsContact NH2-OG1 3.12Å; D615-T764 WeakPolarHBondContact OD2-CB 3.2Å; D615-T764 PolarHBondContact OD2-OG1 3.41Å; L616-T764 PolarHBondContact O-N 3.49Å; S617-T764 CarbonylContact C-O 2.91Å; S617-T764 WeakPolarHBondContact CA-O 3.45Å; L618-T764 PolarHBondContact N-O 3.36Å; T764-L766 HydrophobicContact CG2-CD2 4.5Å; T764-L766 PolarHBondContact O-N 3.3Å; T764-Y942 HydrophobicContact CG2-CE2 3.81Å; T764-V943 HydrophobicContact CG2-CG2 4.38Å |
| 765 | L | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.6 | 175.8 | -55.4 | -170.9 | 0 | 0 | 0 | 109.1 | L618 F620 L721 R767 V784 Y942 L944 | L618-L765 HydrophobicContact CB-CD2 4.16Å; L618-L765 HydrophobicContact CD1-CD2 3.99Å; F620-L765 HydrophobicContact CE2-CB 4.37Å; L721-L765 HydrophobicContact CD1-CD2 4.01Å; L765-R767 HydrophobicContact CB-CG 4.13Å; L765-R767 PolarHBondContact O-N 3.29Å; L765-V784 HydrophobicContact CD1-CB 4.44Å; L765-V784 HydrophobicContact CD1-CG1 4.23Å; L765-Y942 PolarHBondContact N-O 3Å; L765-Y942 WeakPolarHBondContact O-CD2 3.35Å; L765-Y942 WeakPolarHBondContact O-CE2 3.19Å; L765-L944 HydrophobicContact CD1-CD1 4.48Å; L765-L944 HydrophobicContact CD2-CD1 4.45Å |
| 766 | L | 93.8 | Very high | 90.7 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | trans | -75.1 | 70.1 | -177.4 | -62.9 | -178.7 | 0 | 0 | 0 | 111.6 | L618 A619 F620 T764 F768 | L618-L766 WeakPolarHBondContact O-CB 3.31Å; L618-L766 PolarHBondContact O-N 2.94Å; A619-L766 HydrophobicContact CB-CD1 4.34Å; F620-L766 WeakPolarHBondContact CD2-O 3.26Å; T764-L766 HydrophobicContact CG2-CD2 4.5Å; T764-L766 PolarHBondContact O-N 3.3Å; L766-F768 PolarHBondContact O-N 2.71Å | ||
| 767 | R | 91.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | trans | -74.7 | 44.4 | -176.2 | -71.6 | -175.3 | 164.3 | -79.3 | 0.3 | 113.6 | F620 L765 K779 I780 D782 A941 | F620-R767 HydrophobicContact CE2-CB 4.41Å; F620-R767 HydrophobicContact CE2-CG 3.61Å; F620-R767 HydrophobicContact CZ-CG 3.72Å; L765-R767 HydrophobicContact CB-CG 4.13Å; L765-R767 PolarHBondContact O-N 3.29Å; R767-K779 CarbonylContact O-C 3.6Å; R767-K779 WeakPolarHBondContact O-CA 3.17Å; R767-I780 HydrophobicContact CB-CB 4.35Å; R767-I780 PolarHBondContact NH1-O 2.86Å; R767-I780 PolarHBondContact O-N 3.09Å; R767-D782 VanDerWaalsContact CZ-O 3.28Å; R767-D782 PolarHBondContact NH1-O 3.47Å; R767-D782 PolarHBondContact NH2-O 2.83Å; R767-A941 WeakPolarHBondContact CD-O 3.49Å; R767-A941 PolarHBondContact NE-O 3.08Å | ||
| 768 | F | 89.8 | Confident | 90.2 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 129.3 | -175.6 | -53.4 | -71.4 | 0 | 0 | 0 | 111.1 | L766 R777 R778 S853 Y942 | L766-F768 PolarHBondContact O-N 2.71Å; F768-R777 HydrophobicContact CB-CG 4.35Å; F768-R777 HydrophobicContact CD1-CG 4.45Å; F768-R777 VanDerWaalsContact CD1-CZ 3.41Å; F768-R777 VanDerWaalsContact CE2-NH2 3.26Å; F768-R778 CarbonylContact C-O 3.6Å; F768-R778 WeakPolarHBondContact CA-O 3.44Å; F768-S853 VanDerWaalsContact CD1-CB 3.42Å; F768-S853 VanDerWaalsContact CE1-CB 3.48Å; F768-Y942 AromaticContact CE2-CE2 3.65Å; F768-Y942 HydrophobicContact CE2-CE2 3.65Å; F768-Y942 AromaticContact CE2-CZ 3.84Å; F768-Y942 HydrophobicContact CZ-CE2 4.21Å |
| 769 | S | 89.4 | Confident | 90.2 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 159.4 | 167.6 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | R777 R778 | S769-R777 CarbonylContact O-C 3.59Å; S769-R777 WeakPolarHBondContact O-CA 3.36Å; S769-R778 PolarHBondContact N-O 3.16Å; S769-R778 PolarHBondContact O-N 3.15Å; S769-R778 PolarHBondContact OG-O 3.02Å |
| 770 | Y | 88.6 | Confident | 90 | Very high | 144 Ų | 144 | 60 Ų | 60 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 119.1 | 169 | -176.9 | -105.2 | 0 | 0 | 0 | 108.9 | Q772 H775 | Y770-Q772 PolarHBondContact O-N 2.85Å; Y770-H775 WeakPolarHBondContact CE2-O 3.45Å; Y770-H775 AromaticContact CZ-ND1 3.96Å; Y770-H775 VanDerWaalsContact OH-CA 3.29Å; Y770-H775 WeakPolarHBondContact OH-CA 3.49Å; Y770-H775 WeakPolarHBondContact OH-CB 3.47Å; Y770-H775 PolarHBondContact OH-ND1 3.45Å |
| 771 | D | 83.2 | Confident | 89.8 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 101.3 | 174.7 | -167.2 | -37.9 | 0 | 0 | 0 | 109.6 | K773 Y774 H775 V776 R778 | D771-K773 PolarHBondContact O-N 2.89Å; D771-K773 WeakPolarHBondContact OD1-CA 3.38Å; D771-K773 VanDerWaalsContact OD1-CB 3.26Å; D771-K773 WeakPolarHBondContact OD1-CB 3.5Å; D771-K773 PolarHBondContact OD1-N 2.73Å; D771-Y774 PolarHBondContact O-N 3.39Å; D771-Y774 PolarHBondContact OD1-N 3Å; D771-Y774 WeakPolarHBondContact OD2-CD2 3.31Å; D771-H775 WeakPolarHBondContact O-CA 3.41Å; D771-H775 PolarHBondContact O-N 3.43Å; D771-V776 WeakPolarHBondContact CB-O 3.45Å; D771-V776 PolarHBondContact N-O 3.35Å; D771-V776 PolarHBondContact O-N 3.44Å; D771-R778 HydrophobicContact CB-CG 4.21Å; D771-R778 IonicContact OD2-CZ 3.14Å; D771-R778 IonicContact OD2-NE 2.64Å; D771-R778 IonicContact OD2-NH1 3.72Å; D771-R778 PolarHBondContact OD2-NH1 2.59Å; D771-R778 IonicContact OD2-NH2 3.77Å; D771-R778 PolarHBondContact OD2-NH2 3.25Å |
| 772 | Q | 85.6 | Confident | 89.4 | Confident | 159 Ų | 159 | 67.2 Ų | 67.2 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.4 | 179.2 | -169.6 | 178.7 | 10 | 0 | 0 | 113.4 | Y770 | Y770-Q772 PolarHBondContact O-N 2.85Š|
| 773 | K | 85.1 | Confident | 89 | Confident | 158 Ų | 158 | 69.9 Ų | 69.9 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -32.8 | -179.9 | -176 | -173.4 | 173 | -160.3 | 0 | 112.4 | D771 | D771-K773 PolarHBondContact O-N 2.89Å; D771-K773 WeakPolarHBondContact OD1-CA 3.38Å; D771-K773 VanDerWaalsContact OD1-CB 3.26Å; D771-K773 WeakPolarHBondContact OD1-CB 3.5Å; D771-K773 PolarHBondContact OD1-N 2.73Å |
| 774 | Y | 82.2 | Confident | 88.7 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -2.3 | -178.7 | -62.5 | -77.7 | 0 | 0 | 0 | 113.5 | D771 V776 | D771-Y774 PolarHBondContact O-N 3.39Å; D771-Y774 PolarHBondContact OD1-N 3Å; D771-Y774 WeakPolarHBondContact OD2-CD2 3.31Å; Y774-V776 WeakPolarHBondContact O-CG2 3.33Å; Y774-V776 PolarHBondContact O-N 2.96Å |
| 775 | H | 84.3 | Confident | 88.4 | Confident | 133 Ų | 133 | 72.6 Ų | 72.6 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.2 | -175 | -67.3 | -66.8 | 0 | 0 | 0 | 115 | Y770 D771 | Y770-H775 WeakPolarHBondContact CE2-O 3.45Å; Y770-H775 AromaticContact CZ-ND1 3.96Å; Y770-H775 VanDerWaalsContact OH-CA 3.29Å; Y770-H775 WeakPolarHBondContact OH-CA 3.49Å; Y770-H775 WeakPolarHBondContact OH-CB 3.47Å; Y770-H775 PolarHBondContact OH-ND1 3.45Å; D771-H775 WeakPolarHBondContact O-CA 3.41Å; D771-H775 PolarHBondContact O-N 3.43Å |
| 776 | V | 82.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.3 | -170.4 | 161.6 | 0 | 0 | 0 | 0 | 111 | D771 Y774 | D771-V776 WeakPolarHBondContact CB-O 3.45Å; D771-V776 PolarHBondContact N-O 3.35Å; D771-V776 PolarHBondContact O-N 3.44Å; Y774-V776 WeakPolarHBondContact O-CG2 3.33Å; Y774-V776 PolarHBondContact O-N 2.96Å |
| 777 | R | 86.8 | Confident | 88.2 | Confident | 101 Ų | 101 | 71.5 Ų | 71.5 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.7 | 171.2 | -167.4 | -170.7 | -171.2 | -156.2 | 11.2 | 108.9 | F768 S769 S853 | F768-R777 HydrophobicContact CB-CG 4.35Å; F768-R777 HydrophobicContact CD1-CG 4.45Å; F768-R777 VanDerWaalsContact CD1-CZ 3.41Å; F768-R777 VanDerWaalsContact CE2-NH2 3.26Å; S769-R777 CarbonylContact O-C 3.59Å; S769-R777 WeakPolarHBondContact O-CA 3.36Å; R777-S853 VanDerWaalsContact C-OG 3.28Å; R777-S853 WeakPolarHBondContact CG-OG 3.49Å; R777-S853 PolarHBondContact NH1-O 3.46Å; R777-S853 PolarHBondContact O-OG 2.85Å |
| 778 | R | 87.1 | Confident | 88.1 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.5 | 174.2 | -62.9 | -168.6 | -56.5 | -159.7 | -9.6 | 110.8 | F768 S769 D771 | F768-R778 CarbonylContact C-O 3.6Å; F768-R778 WeakPolarHBondContact CA-O 3.44Å; S769-R778 PolarHBondContact N-O 3.16Å; S769-R778 PolarHBondContact O-N 3.15Å; S769-R778 PolarHBondContact OG-O 3.02Å; D771-R778 HydrophobicContact CB-CG 4.21Å; D771-R778 IonicContact OD2-CZ 3.14Å; D771-R778 IonicContact OD2-NE 2.64Å; D771-R778 IonicContact OD2-NH1 3.72Å; D771-R778 PolarHBondContact OD2-NH1 2.59Å; D771-R778 IonicContact OD2-NH2 3.77Å; D771-R778 PolarHBondContact OD2-NH2 3.25Å |
| 779 | K | 92.2 | Very high | 88.2 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.2 | 171.1 | -172.8 | 178.1 | 173.1 | -177.4 | 0 | 110.6 | R767 L781 H848 G850 S852 K938 T940 | R767-K779 CarbonylContact O-C 3.6Å; R767-K779 WeakPolarHBondContact O-CA 3.17Å; K779-L781 HydrophobicContact CD-CD2 3.71Å; K779-L781 HydrophobicContact CG-CD2 3.94Å; K779-H848 PolarHBondContact NZ-ND1 3.08Å; K779-H848 PolarHBondContact NZ-O 3.43Å; K779-G850 WeakPolarHBondContact CD-O 3.47Å; K779-G850 WeakPolarHBondContact CE-O 3.3Å; K779-G850 PolarHBondContact NZ-O 2.93Å; K779-S852 WeakPolarHBondContact CD-O 3.29Å; K779-K938 PolarHBondContact NZ-O 3.01Å; K779-T940 WeakPolarHBondContact CE-OG1 3.32Å; K779-T940 PolarHBondContact NZ-OG1 2.59Å |
| 780 | I | 90.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | trans | -90.3 | 111.9 | 172.4 | -58.6 | 174.5 | 0 | 0 | 0 | 107.5 | F620 R767 D782 | F620-I780 HydrophobicContact CB-CD1 4.18Å; F620-I780 HydrophobicContact CD1-CG2 3.95Å; F620-I780 HydrophobicContact CD2-CD1 4.06Å; F620-I780 HydrophobicContact CE1-CG2 3.95Å; F620-I780 HydrophobicContact CG-CD1 4.07Å; F620-I780 HydrophobicContact CG-CG2 4.32Å; F620-I780 HydrophobicContact CZ-CG2 4.31Å; R767-I780 HydrophobicContact CB-CB 4.35Å; R767-I780 PolarHBondContact NH1-O 2.86Å; R767-I780 PolarHBondContact O-N 3.09Å; I780-D782 HydrophobicContact CG2-CB 3.93Å; I780-D782 WeakPolarHBondContact CG2-OD2 3.36Å | ||
| 781 | L | 89.8 | Confident | 88.5 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | trans | -89.9 | -5.6 | -175.6 | -62.4 | 179.4 | 0 | 0 | 0 | 113.3 | K779 N783 T933 T940 | K779-L781 HydrophobicContact CD-CD2 3.71Å; K779-L781 HydrophobicContact CG-CD2 3.94Å; L781-N783 PolarHBondContact O-N 3.18Å; L781-T933 WeakPolarHBondContact O-CG2 3.16Å; L781-T940 HydrophobicContact CD2-CG2 4.05Å | ||
| 782 | D | 88.3 | Confident | 88.9 | Confident | 92 Ų | 92 | 70 Ų | 70 | 49% | 0.492 | 34% | 0.336 | S | S | . | . | trans | -51.3 | 131 | -174.3 | -49.3 | 0.6 | 0 | 0 | 0 | 111.9 | F620 R767 I780 V784 | F620-D782 HydrophobicContact CE1-CB 4.33Å; R767-D782 VanDerWaalsContact CZ-O 3.28Å; R767-D782 PolarHBondContact NH1-O 3.47Å; R767-D782 PolarHBondContact NH2-O 2.83Å; I780-D782 HydrophobicContact CG2-CB 3.93Å; I780-D782 WeakPolarHBondContact CG2-OD2 3.36Å; D782-V784 PolarHBondContact O-N 3.44Å | ||
| 783 | N | 88.6 | Confident | 89.1 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | trans | -67.6 | 132.5 | 179.9 | -172.1 | 24.4 | 0 | 0 | 0 | 110.2 | L781 T933 | L781-N783 PolarHBondContact O-N 3.18Å; N783-T933 HydrophobicContact CB-CG2 4.3Å | ||
| 784 | V | 90.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -125 | 121.1 | 178 | 174.7 | 0 | 0 | 0 | 0 | 108.6 | F620 P716 V718 L721 L765 D782 L786 | F620-V784 HydrophobicContact CE1-CG2 3.63Å; F620-V784 HydrophobicContact CZ-CG2 3.81Å; P716-V784 HydrophobicContact CG-CG2 4.38Å; P716-V784 CarbonylContact O-C 3.25Å; P716-V784 VanDerWaalsContact O-CA 3.24Å; P716-V784 WeakPolarHBondContact O-CA 3.29Å; V718-V784 HydrophobicContact CG2-CG1 3.94Å; L721-V784 HydrophobicContact CD1-CG1 3.89Å; L721-V784 HydrophobicContact CD1-CG2 4.11Å; L765-V784 HydrophobicContact CD1-CB 4.44Å; L765-V784 HydrophobicContact CD1-CG1 4.23Å; D782-V784 PolarHBondContact O-N 3.44Å; V784-L786 PolarHBondContact O-N 3.17Å | ||
| 785 | S | 91.2 | Very high | 89.4 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 126.7 | -176.8 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | P716 S717 V718 P787 | P716-S785 PolarHBondContact O-N 2.69Å; S717-S785 VanDerWaalsContact CA-OG 3.26Å; S717-S785 WeakPolarHBondContact CA-OG 3.45Å; S717-S785 WeakPolarHBondContact CB-OG 3.46Å; V718-S785 PolarHBondContact N-O 2.96Å; V718-S785 VanDerWaalsContact N-O 3.13Å; S785-P787 WeakPolarHBondContact O-CD 3.11Å |
| 786 | L | 92.6 | Very high | 89 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | trans | -96.4 | 107.7 | -177.6 | -53.5 | -177.1 | 0 | 0 | 0 | 109.8 | V718 V784 V845 V929 A941 L944 | V718-L786 HydrophobicContact CG2-CD2 3.6Å; V784-L786 PolarHBondContact O-N 3.17Å; L786-V845 HydrophobicContact CD1-CG1 4.16Å; L786-V845 HydrophobicContact CD1-CG2 4.17Å; L786-V929 HydrophobicContact CD1-CG1 4.31Å; L786-A941 HydrophobicContact CD1-CB 3.82Å; L786-A941 HydrophobicContact CD2-CB 4.22Å; L786-L944 HydrophobicContact CD1-CD2 4.3Å; L786-L944 HydrophobicContact CD2-CD1 3.93Å; L786-L944 HydrophobicContact CD2-CD2 3.9Å | ||
| 787 | P | 91.4 | Very high | 87.7 | Confident | 31 Ų | 31 | 51 Ų | 51 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | trans | -73.4 | 145.9 | 176.9 | 31.6 | -35.8 | 0 | 0 | 0 | 111.2 | V718 S785 V789 L790 Y946 | V718-P787 HydrophobicContact CB-CG 4.45Å; S785-P787 WeakPolarHBondContact O-CD 3.11Å; P787-V789 WeakPolarHBondContact CB-O 3.34Å; P787-L790 HydrophobicContact CG-CB 4.39Å; P787-L790 HydrophobicContact CG-CD1 4.3Å; P787-Y946 PolarHBondContact O-OH 2.92Å | ||
| 788 | L | 89.9 | Confident | 85.6 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -71.5 | -35.1 | 176.3 | -169.4 | 65.8 | 0 | 0 | 0 | 111.8 | L841 L842 W913 F926 | L788-L841 HydrophobicContact CG-CD1 4.45Å; L788-L842 PolarHBondContact O-N 2.91Å; L788-W913 HydrophobicContact CD1-CZ2 4.37Å; L788-F926 HydrophobicContact CB-CE1 3.74Å; L788-F926 HydrophobicContact CB-CZ 3.72Å; L788-F926 HydrophobicContact CD1-CD1 3.88Å; L788-F926 HydrophobicContact CD1-CD2 3.77Å; L788-F926 HydrophobicContact CD1-CE1 3.76Å; L788-F926 HydrophobicContact CD1-CE2 3.68Å; L788-F926 HydrophobicContact CD1-CG 3.89Å; L788-F926 HydrophobicContact CD1-CZ 3.67Å; L788-F926 HydrophobicContact CD2-CD1 4.46Å; L788-F926 HydrophobicContact CD2-CE1 4.38Å; L788-F926 HydrophobicContact CG-CE1 4.17Å; L788-F926 HydrophobicContact CG-CZ 4.27Å |
| 789 | V | 91.5 | Very high | 83.1 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.8 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | P787 P839 Y840 L841 | P787-V789 WeakPolarHBondContact CB-O 3.34Å; V789-P839 HydrophobicContact CG1-CB 4.19Å; V789-Y840 CarbonylContact C-O 3.56Å; V789-Y840 VanDerWaalsContact CA-O 3.28Å; V789-Y840 WeakPolarHBondContact CA-O 3.33Å; V789-L841 HydrophobicContact CG2-CD1 3.87Å |
| 790 | L | 93.1 | Very high | 80.2 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.6 | 176.3 | 176.4 | 67.4 | 0 | 0 | 0 | 108.7 | V718 T719 L722 L761 L763 P787 Y840 Y946 | V718-L790 HydrophobicContact CG1-CD2 4.41Å; T719-L790 HydrophobicContact CG2-CD1 4.46Å; L722-L790 HydrophobicContact CD2-CD1 4.21Å; L722-L790 HydrophobicContact CD2-CD2 4.28Å; L722-L790 HydrophobicContact CD2-CG 4.45Å; L761-L790 HydrophobicContact CD2-CD2 4.19Å; L763-L790 HydrophobicContact CD1-CD2 3.7Å; P787-L790 HydrophobicContact CG-CB 4.39Å; P787-L790 HydrophobicContact CG-CD1 4.3Å; L790-Y840 PolarHBondContact N-O 3.37Å; L790-Y840 WeakPolarHBondContact O-CB 3.27Å; L790-Y840 PolarHBondContact O-N 2.92Å; L790-Y946 HydrophobicContact CB-CD1 3.88Å; L790-Y946 HydrophobicContact CB-CE1 3.55Å; L790-Y946 HydrophobicContact CD2-CD2 4.36Å; L790-Y946 HydrophobicContact CD2-CE1 4.28Å; L790-Y946 HydrophobicContact CD2-CE2 4.11Å |
| 791 | E | 92.1 | Very high | 77.2 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.1 | 173.7 | -62.3 | -163.5 | 132.1 | 0 | 0 | 110.4 | L837 | E791-L837 HydrophobicContact CB-CB 4.41Å; E791-L837 HydrophobicContact CB-CD2 4.26Å |
| 792 | L | 91.8 | Very high | 74.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.7 | 179.8 | -169 | 69.3 | 0 | 0 | 0 | 109.8 | L722 I754 E757 L761 V794 V838 Y840 | L722-L792 HydrophobicContact CD1-CD1 4.32Å; L722-L792 HydrophobicContact CD2-CD1 3.94Å; I754-L792 HydrophobicContact CD1-CD1 3.5Å; I754-L792 VanDerWaalsContact CD1-CD1 3.5Å; I754-L792 HydrophobicContact CD1-CD2 4.27Å; I754-L792 HydrophobicContact CD1-CG 3.96Å; E757-L792 HydrophobicContact CB-CD2 4.07Å; L761-L792 HydrophobicContact CD2-CD1 3.85Å; L761-L792 HydrophobicContact CD2-CD2 4.24Å; L792-V794 HydrophobicContact CD2-CG2 4.22Å; L792-V794 HydrophobicContact CG-CG2 4.25Å; L792-V794 PolarHBondContact O-N 2.69Å; L792-V838 PolarHBondContact N-O 3.49Å; L792-V838 PolarHBondContact O-N 3.27Å; L792-Y840 HydrophobicContact CB-CD2 3.68Å; L792-Y840 HydrophobicContact CB-CE2 3.65Å; L792-Y840 HydrophobicContact CD2-CD2 4.25Å; L792-Y840 HydrophobicContact CD2-CE2 3.52Å; L792-Y840 HydrophobicContact CG-CE2 4.23Å |
| 793 | P | 90.1 | Very high | 71.5 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 20% | 0.195 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.6 | 175.9 | 29.9 | -33.5 | 0 | 0 | 0 | 111.3 | L726 T835 L837 | L726-P793 HydrophobicContact CD1-CG 3.68Å; P793-T835 HydrophobicContact CB-CG2 4.15Å; P793-L837 HydrophobicContact CB-CD2 4.14Å |
| 794 | V | 87.8 | Confident | 68.7 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.2 | -178.3 | -173 | 0 | 0 | 0 | 0 | 110.2 | I754 E757 L792 R796 K836 V838 | I754-V794 HydrophobicContact CG2-CG2 4.29Å; I754-V794 WeakPolarHBondContact O-CA 3.45Å; E757-V794 HydrophobicContact CB-CG2 3.78Å; E757-V794 HydrophobicContact CG-CG2 4.19Å; L792-V794 HydrophobicContact CD2-CG2 4.22Å; L792-V794 HydrophobicContact CG-CG2 4.25Å; L792-V794 PolarHBondContact O-N 2.69Å; V794-R796 HydrophobicContact CG1-CG 4.46Å; V794-K836 PolarHBondContact N-O 2.66Å; V794-K836 PolarHBondContact O-N 3.17Å; V794-V838 HydrophobicContact CB-CG2 4.4Å; V794-V838 HydrophobicContact CG2-CB 4.46Å; V794-V838 HydrophobicContact CG2-CG2 3.84Å |
| 795 | K | 84.3 | Confident | 65.6 | Low | 63 Ų | 63 | 78.7 Ų | 78.7 | 27% | 0.274 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.1 | 176.7 | -76.4 | -178.1 | 174.8 | -169.9 | 0 | 111 | Q753 I754 T835 | Q753-K795 HydrophobicContact CB-CD 4.3Å; Q753-K795 HydrophobicContact CG-CD 4.13Å; I754-K795 PolarHBondContact O-N 2.95Å; K795-T835 VanDerWaalsContact CE-OG1 3.3Å; K795-T835 WeakPolarHBondContact CE-OG1 3.46Å; K795-T835 HydrophobicContact CG-CG2 4.09Å; K795-T835 WeakPolarHBondContact CG-OG1 3.4Å |
| 796 | R | 76.7 | Confident | 62.4 | Low | 109 Ų | 109 | 81.2 Ų | 81.2 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.6 | -179.3 | -65.2 | -178.6 | 177.6 | -177.8 | -3.1 | 110.9 | E757 V794 T798 | E757-R796 IonicContact OE1-NH2 2.66Å; E757-R796 PolarHBondContact OE1-NH2 2.86Å; E757-R796 IonicContact OE2-CZ 3.77Å; E757-R796 IonicContact OE2-NE 3.85Å; E757-R796 IonicContact OE2-NH2 2.64Å; E757-R796 PolarHBondContact OE2-NH2 3.42Å; V794-R796 HydrophobicContact CG1-CG 4.46Å; R796-T798 PolarHBondContact O-N 2.94Å |
| 797 | T | 55.7 | Low | 59.1 | Low | 71 Ų | 71 | 92.4 Ų | 92.4 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | trans | -72.9 | 114.8 | 167.1 | 28.7 | 0 | 0 | 0 | 0 | 109.7 | R595 S799 | R595-T797 PolarHBondContact NH2-OG1 3.23Å; R595-T797 VanDerWaalsContact NH2-OG1 3.16Å; T797-S799 PolarHBondContact O-N 2.88Å | ||
| 798 | T | 42.1 | Very low | 56 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | trans | -86.6 | 87.1 | -175.8 | 36.4 | 0 | 0 | 0 | 0 | 112.2 | R796 F800 | R796-T798 PolarHBondContact O-N 2.94Å; T798-F800 PolarHBondContact O-N 3.24Å | ||
| 799 | S | 34.9 | Very low | 52.9 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 76% | 0.755 | 55% | 0.552 | S | S | * | * | trans | -68.1 | 97.3 | 167.1 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | T797 S801 | T797-S799 PolarHBondContact O-N 2.88Å; S799-S801 PolarHBondContact O-N 2.99Å; S799-S801 VanDerWaalsContact O-N 3.1Å | ||
| 800 | F | 31.6 | Very low | 49.7 | Very low | 201 Ų | 201 | 103.6 Ų | 103.6 | 88% | 0.882 | 57% | 0.567 | S | S | * | * | trans | -67.4 | 102.7 | 177.4 | -102.5 | -89.2 | 0 | 0 | 0 | 111.6 | T798 | T798-F800 PolarHBondContact O-N 3.24Š| ||
| 801 | S | 27.3 | Very low | 46.5 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | trans | -154.3 | 111.2 | 166.8 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | S799 | S799-S801 PolarHBondContact O-N 2.99Å; S799-S801 VanDerWaalsContact O-N 3.1Å | ||
| 802 | S | 28.9 | Very low | 43.3 | Very low | 116 Ų | 116 | 111.8 Ų | 111.8 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | trans | 60.2 | 145.7 | 179.7 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 803 | L | 28.3 | Very low | 40 | Very low | 173 Ų | 173 | 120.2 Ų | 120.2 | 91% | 0.906 | 66% | 0.655 | S | S | * | * | cis | -121.2 | 158.8 | 15 | -73.1 | 160.4 | 0 | 0 | 0 | 113.1 | ||||
| 804 | S | 29.8 | Very low | 37 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | trans | -128.1 | 106.4 | 172.1 | 56 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 805 | E | 27.4 | Very low | 34.1 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | trans | -166.3 | 119.8 | 162.3 | -106.2 | 156.7 | -166.4 | 0 | 0 | 106.2 | ||||
| 806 | S | 24.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 69.5 | 128 | 93.2 | -104.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 807 | W | 23 | Very low | 29.1 | Very low | 246 Ų | 246 | 133.8 Ų | 133.8 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | cis | -131.2 | 168.8 | 28.2 | -63.7 | -42.6 | 0 | 0 | 0 | 116.1 | ||||
| 808 | S | 25.8 | Very low | 27.9 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -92.6 | 151.7 | 167.9 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 809 | V | 25.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 140 Ų | 140 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -141.5 | 140.4 | 154.5 | -178.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 810 | D | 22.9 | Very low | 27 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -83.8 | 150.7 | -168.6 | -38.5 | -86.4 | 0 | 0 | 0 | 114.4 | ||||
| 811 | V | 27.6 | Very low | 27 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | -146.8 | 121.5 | 128.8 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 812 | D | 23.7 | Very low | 27.1 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -74.9 | 151.5 | 172.3 | -80.2 | -55.3 | 0 | 0 | 0 | 112.8 | ||||
| 813 | F | 23.7 | Very low | 27.2 | Very low | 176 Ų | 176 | 147 Ų | 147 | 77% | 0.772 | 79% | 0.786 | S | S | * | * | 170.6 | 119.6 | 105.9 | -108.2 | -94.7 | 0 | 0 | 0 | 112.8 | |||||
| 814 | T | 25.6 | Very low | 27.2 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | trans | 52.8 | 146.2 | 140.1 | 57.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 815 | D | 26.7 | Very low | 27.2 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -157.5 | 159.9 | 0.1 | -131.7 | -31.5 | 0 | 0 | 0 | 114.7 | ||||
| 816 | L | 28.3 | Very low | 27.3 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 46 | 142.2 | 144.9 | -129 | 70 | 0 | 0 | 0 | 124.6 | ||||
| 817 | S | 27.9 | Very low | 27.6 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 76 | 148.8 | 152.9 | 78 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 818 | E | 30.8 | Very low | 27.7 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | -164.9 | 148 | -47.3 | -121.6 | -160.9 | 145.6 | 0 | 0 | 108.5 | ||||
| 819 | N | 31.1 | Very low | 27.9 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 79% | 0.786 | S | S | * | * | trans | 31.6 | 113.7 | 151.4 | -56.7 | -45.1 | 0 | 0 | 0 | 120.7 | ||||
| 820 | L | 28.3 | Very low | 28.1 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | -151.9 | 123.3 | 110.1 | -143.3 | 72.3 | 0 | 0 | 0 | 113.2 | |||||
| 821 | A | 30 | Very low | 28.8 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -103.7 | 146.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 822 | K | 29.5 | Very low | 29.3 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -168.2 | 119.5 | 138.9 | -101.4 | 141.9 | -166.7 | 172.1 | 0 | 113.6 | ||||
| 823 | K | 31.7 | Very low | 30.6 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | 23.9 | 122 | 145.1 | -63.3 | 178.5 | 172.5 | -177.1 | 0 | 118.3 | ||||
| 824 | L | 28.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | -162.5 | 144.2 | 90.3 | -97.5 | 164.2 | 0 | 0 | 0 | 111.1 | |||||
| 825 | K | 28.8 | Very low | 34.4 | Very low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -101 | 149.8 | 156.7 | -85.7 | -167.1 | 175.4 | -172.1 | 0 | 107.6 | ||||
| 826 | P | 30.1 | Very low | 37.2 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | -113.4 | 179 | 115.4 | 33.4 | -34.5 | 0 | 0 | 0 | 111.8 | |||||
| 827 | S | 29.9 | Very low | 40 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -92.5 | 122.9 | -175.6 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 828 | G | 25.6 | Very low | 42.9 | Very low | 60 Ų | 60 | 122.9 Ų | 122.9 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | trans | -144.4 | 129.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108 | D830 | G828-D830 PolarHBondContact O-N 3.34Š| ||
| 829 | T | 29.8 | Very low | 45.9 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 91% | 0.908 | 66% | 0.659 | S | S | * | * | trans | -97.2 | 70.5 | 174.2 | 48.8 | 0 | 0 | 0 | 0 | 109.1 | E831 | T829-E831 PolarHBondContact O-N 3Š| ||
| 830 | D | 30 | Very low | 48.8 | Very low | 155 Ų | 155 | 110.5 Ų | 110.5 | 83% | 0.829 | 63% | 0.627 | S | S | * | * | trans | -70.6 | 113.6 | 170.6 | -68.2 | -36.5 | 0 | 0 | 0 | 108.8 | G828 A832 | G828-D830 PolarHBondContact O-N 3.34Å; D830-A832 PolarHBondContact O-N 3.44Å | ||
| 831 | E | 37.5 | Very low | 51.9 | Low | 156 Ų | 156 | 102.8 Ų | 102.8 | 73% | 0.729 | 59% | 0.587 | S | S | * | * | trans | -62.5 | 121.1 | 164.7 | -68.6 | -166.9 | 149.4 | 0 | 0 | 108.3 | T829 S833 | T829-E831 PolarHBondContact O-N 3Å; E831-S833 PolarHBondContact O-N 3.42Å | ||
| 832 | A | 38.6 | Very low | 55 | Low | 92 Ų | 92 | 98.8 Ų | 98.8 | 76% | 0.76 | 55% | 0.554 | S | S | * | * | trans | -71.6 | 72.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D830 C834 | D830-A832 PolarHBondContact O-N 3.44Å; A832-C834 PolarHBondContact O-N 3.3Å; A832-C834 VanDerWaalsContact O-N 3.12Å | ||
| 833 | S | 49.1 | Very low | 58 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | trans | -69.5 | 107.3 | -178 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | E831 | E831-S833 PolarHBondContact O-N 3.42Š| ||
| 834 | C | 55.5 | Low | 61 | Low | 88 Ų | 88 | 80 Ų | 80 | 60% | 0.595 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.1 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | A832 | A832-C834 PolarHBondContact O-N 3.3Å; A832-C834 VanDerWaalsContact O-N 3.12Å |
| 835 | T | 75.2 | Confident | 64.3 | Low | 70 Ų | 70 | 72 Ų | 72 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.3 | 169.9 | -51.7 | 0 | 0 | 0 | 0 | 107.9 | P793 K795 | P793-T835 HydrophobicContact CB-CG2 4.15Å; K795-T835 VanDerWaalsContact CE-OG1 3.3Å; K795-T835 WeakPolarHBondContact CE-OG1 3.46Å; K795-T835 HydrophobicContact CG-CG2 4.09Å; K795-T835 WeakPolarHBondContact CG-OG1 3.4Å |
| 836 | K | 84.1 | Confident | 67.5 | Low | 94 Ų | 94 | 63 Ų | 63 | 41% | 0.409 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.2 | 173.7 | 179.3 | 173.4 | -178.3 | -176.9 | 0 | 109.5 | V794 V838 | V794-K836 PolarHBondContact N-O 2.66Å; V794-K836 PolarHBondContact O-N 3.17Å; K836-V838 HydrophobicContact CG-CG2 4.32Å |
| 837 | L | 87.3 | Confident | 70.7 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.6 | 164.4 | -64.3 | 169.1 | 0 | 0 | 0 | 109.2 | E791 P793 | E791-L837 HydrophobicContact CB-CB 4.41Å; E791-L837 HydrophobicContact CB-CD2 4.26Å; P793-L837 HydrophobicContact CB-CD2 4.14Å |
| 838 | V | 89.9 | Confident | 73.8 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.3 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | E757 L792 V794 K836 Y840 K948 | E757-V838 HydrophobicContact CG-CG1 4.28Å; E757-V838 HydrophobicContact CG-CG2 4.27Å; L792-V838 PolarHBondContact N-O 3.49Å; L792-V838 PolarHBondContact O-N 3.27Å; V794-V838 HydrophobicContact CB-CG2 4.4Å; V794-V838 HydrophobicContact CG2-CB 4.46Å; V794-V838 HydrophobicContact CG2-CG2 3.84Å; K836-V838 HydrophobicContact CG-CG2 4.32Å; V838-Y840 HydrophobicContact CB-CD2 4.49Å; V838-Y840 HydrophobicContact CB-CE2 4.01Å; V838-Y840 HydrophobicContact CG1-CD2 4.18Å; V838-Y840 HydrophobicContact CG1-CE2 3.61Å; V838-Y840 WeakPolarHBondContact O-CD2 3.48Å; V838-K948 HydrophobicContact CG1-CG 4.2Å |
| 839 | P | 92.5 | Very high | 77 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.8 | 179.8 | 25.8 | -30.4 | 0 | 0 | 0 | 112.5 | V789 Q949 | V789-P839 HydrophobicContact CG1-CB 4.19Å; P839-Q949 HydrophobicContact CB-CB 4.44Å; P839-Q949 HydrophobicContact CG-CB 4.15Å; P839-Q949 PolarHBondContact O-N 3.29Å |
| 840 | Y | 93.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.9 | -179.5 | -85 | -91.5 | 0 | 0 | 0 | 110.2 | E757 P758 L761 V789 L790 L792 V838 K947 K948 | E757-Y840 WeakPolarHBondContact CB-OH 3.46Å; E757-Y840 WeakPolarHBondContact CG-OH 3.45Å; P758-Y840 WeakPolarHBondContact O-CE1 3.22Å; P758-Y840 PolarHBondContact O-OH 2.87Å; L761-Y840 HydrophobicContact CB-CD1 3.81Å; L761-Y840 HydrophobicContact CB-CE1 3.76Å; L761-Y840 HydrophobicContact CD2-CD1 4.49Å; L761-Y840 HydrophobicContact CD2-CG 4.47Å; V789-Y840 CarbonylContact C-O 3.56Å; V789-Y840 VanDerWaalsContact CA-O 3.28Å; V789-Y840 WeakPolarHBondContact CA-O 3.33Å; L790-Y840 PolarHBondContact N-O 3.37Å; L790-Y840 WeakPolarHBondContact O-CB 3.27Å; L790-Y840 PolarHBondContact O-N 2.92Å; L792-Y840 HydrophobicContact CB-CD2 3.68Å; L792-Y840 HydrophobicContact CB-CE2 3.65Å; L792-Y840 HydrophobicContact CD2-CD2 4.25Å; L792-Y840 HydrophobicContact CD2-CE2 3.52Å; L792-Y840 HydrophobicContact CG-CE2 4.23Å; V838-Y840 HydrophobicContact CB-CD2 4.49Å; V838-Y840 HydrophobicContact CB-CE2 4.01Å; V838-Y840 HydrophobicContact CG1-CD2 4.18Å; V838-Y840 HydrophobicContact CG1-CE2 3.61Å; V838-Y840 WeakPolarHBondContact O-CD2 3.48Å; Y840-K947 CarbonylContact C-O 3.55Å; Y840-K947 WeakPolarHBondContact CA-O 3.16Å; Y840-K948 HydrophobicContact CD1-CB 4.18Å; Y840-K948 HydrophobicContact CE1-CB 3.66Å; Y840-K948 HydrophobicContact CE1-CG 4.18Å |
| 841 | L | 93.5 | Very high | 82.4 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.5 | -175.7 | -175.5 | 66 | 0 | 0 | 0 | 110.6 | L788 V789 S843 I865 Y946 K947 Q949 | L788-L841 HydrophobicContact CG-CD1 4.45Å; V789-L841 HydrophobicContact CG2-CD1 3.87Å; L841-S843 PolarHBondContact O-N 3.4Å; L841-I865 HydrophobicContact CD2-CD1 4.05Å; L841-I865 HydrophobicContact CD2-CG2 4Å; L841-I865 HydrophobicContact CG-CD1 4.13Å; L841-Y946 CarbonylContact O-C 3.53Å; L841-Y946 WeakPolarHBondContact O-CA 3.3Å; L841-K947 PolarHBondContact N-O 3.43Å; L841-K947 PolarHBondContact O-N 3.25Å; L841-Q949 HydrophobicContact CB-CG 4.13Å |
| 842 | L | 93.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 122.9 | -175.8 | -176.9 | 68.2 | 0 | 0 | 0 | 111.5 | L788 V845 R863 W913 F926 L944 Y946 | L788-L842 PolarHBondContact O-N 2.91Å; L842-V845 HydrophobicContact CD1-CG2 4Å; L842-V845 HydrophobicContact CD2-CG2 3.88Å; L842-V845 HydrophobicContact CG-CG2 4.27Å; L842-R863 PolarHBondContact O-NE 2.98Å; L842-R863 PolarHBondContact O-NH2 3.12Å; L842-W913 HydrophobicContact CD2-CH2 3.89Å; L842-W913 HydrophobicContact CD2-CZ2 4.44Å; L842-W913 HydrophobicContact CG-CH2 4.04Å; L842-F926 HydrophobicContact CD2-CE2 3.93Å; L842-L944 HydrophobicContact CD1-CB 4.44Å; L842-Y946 VanDerWaalsContact CA-CD1 3.48Å; L842-Y946 HydrophobicContact CB-CD1 3.84Å; L842-Y946 HydrophobicContact CB-CE1 3.7Å; L842-Y946 HydrophobicContact CD1-CD1 4.14Å; L842-Y946 HydrophobicContact CD1-CD2 3.97Å; L842-Y946 HydrophobicContact CD1-CE1 3.84Å; L842-Y946 HydrophobicContact CD1-CE2 3.67Å; L842-Y946 HydrophobicContact CD1-CG 4.18Å; L842-Y946 HydrophobicContact CG-CE1 4.33Å |
| 843 | S | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -41.1 | -175.6 | -162.1 | 0 | 0 | 0 | 0 | 113 | L841 A862 R863 L945 | L841-S843 PolarHBondContact O-N 3.4Å; S843-A862 WeakPolarHBondContact O-CA 3.25Å; S843-R863 PolarHBondContact O-N 3.04Å; S843-L945 WeakPolarHBondContact CA-O 3.22Å; S843-L945 WeakPolarHBondContact CB-O 3.32Å; S843-L945 PolarHBondContact N-O 3.07Å |
| 844 | S | 95.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160.4 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | A462 Y861 L945 | A462-S844 WeakPolarHBondContact CB-OG 3.48Å; S844-Y861 CarbonylContact C-O 3.12Å; S844-Y861 WeakPolarHBondContact CA-O 3.3Å; S844-Y861 WeakPolarHBondContact CB-O 3.49Å; S844-L945 PolarHBondContact N-O 2.69Å; S844-L945 VanDerWaalsContact N-O 3.09Å; S844-L945 PolarHBondContact O-N 3.01Å; S844-L945 VanDerWaalsContact OG-CB 3.32Å; S844-L945 WeakPolarHBondContact OG-CB 3.35Å |
| 845 | V | 96.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 117.8 | -179.5 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | L786 L842 V847 S860 Y861 V929 A941 L944 | L786-V845 HydrophobicContact CD1-CG1 4.16Å; L786-V845 HydrophobicContact CD1-CG2 4.17Å; L842-V845 HydrophobicContact CD1-CG2 4Å; L842-V845 HydrophobicContact CD2-CG2 3.88Å; L842-V845 HydrophobicContact CG-CG2 4.27Å; V845-V847 HydrophobicContact CG1-CG2 4.09Å; V845-S860 CarbonylContact O-C 3.54Å; V845-S860 VanDerWaalsContact O-CA 3.32Å; V845-S860 WeakPolarHBondContact O-CA 3.26Å; V845-Y861 PolarHBondContact N-O 3.43Å; V845-Y861 PolarHBondContact O-N 2.68Å; V845-V929 HydrophobicContact CB-CG1 4.24Å; V845-V929 HydrophobicContact CG2-CG1 3.8Å; V845-A941 HydrophobicContact CG1-CB 3.64Å; V845-L944 HydrophobicContact CB-CD2 4.35Å; V845-L944 HydrophobicContact CG1-CD2 3.9Å; V845-L944 HydrophobicContact CG2-CD2 3.96Å |
| 846 | V | 97 | Very high | 90.3 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.3 | 168.9 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | A462 Y858 Y942 V943 | A462-V846 HydrophobicContact CB-CG2 4.21Å; V846-Y858 HydrophobicContact CG1-CD1 4.12Å; V846-Y942 PolarHBondContact O-N 3.27Å; V846-V943 HydrophobicContact CB-CB 4.16Å; V846-V943 HydrophobicContact CG2-CB 4.42Å; V846-V943 PolarHBondContact N-O 3.14Å; V846-V943 PolarHBondContact O-N 2.69Å |
| 847 | V | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.6 | -176.1 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | V845 Y858 Y859 Y861 I932 D939 | V845-V847 HydrophobicContact CG1-CG2 4.09Å; V847-Y858 WeakPolarHBondContact O-CA 3.46Å; V847-Y859 HydrophobicContact CB-CD1 4.49Å; V847-Y859 HydrophobicContact CB-CD2 4.09Å; V847-Y859 HydrophobicContact CB-CE1 4.16Å; V847-Y859 HydrophobicContact CB-CE2 3.74Å; V847-Y859 HydrophobicContact CB-CG 4.47Å; V847-Y859 HydrophobicContact CG1-CE1 4.06Å; V847-Y859 HydrophobicContact CG1-CE2 4.09Å; V847-Y859 HydrophobicContact CG2-CD2 4.21Å; V847-Y859 HydrophobicContact CG2-CE2 3.76Å; V847-Y859 PolarHBondContact N-O 2.92Å; V847-Y859 PolarHBondContact O-N 3.27Å; V847-Y861 HydrophobicContact CG2-CD2 3.89Å; V847-Y861 HydrophobicContact CG2-CE2 3.96Å; V847-I932 HydrophobicContact CG1-CG2 4.1Å; V847-I932 HydrophobicContact CG2-CD1 3.83Å; V847-D939 HydrophobicContact CG1-CB 4.01Å |
| 848 | H | 95.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 5% | 0.046 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 113.9 | 166.9 | -177 | -129.9 | 0 | 0 | 0 | 109.9 | K779 Y858 T940 | K779-H848 PolarHBondContact NZ-ND1 3.08Å; K779-H848 PolarHBondContact NZ-O 3.43Å; H848-Y858 HydrophobicContact CB-CD1 4.15Å; H848-Y858 HydrophobicContact CB-CE1 3.76Å; H848-Y858 AromaticContact CD2-CE1 3.75Å; H848-Y858 AromaticContact CD2-CE2 3.92Å; H848-Y858 AromaticContact CD2-CZ 3.64Å; H848-Y858 AromaticContact CG-CE1 3.96Å; H848-T940 PolarHBondContact N-O 3.22Å; H848-T940 PolarHBondContact O-N 3.45Å; H848-T940 PolarHBondContact O-OG1 2.92Å |
| 849 | S | 93.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 15% | 0.147 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.2 | 171.6 | -175.5 | 0 | 0 | 0 | 0 | 110 | G856 H857 D939 | S849-G856 CarbonylContact O-C 3.59Å; S849-G856 WeakPolarHBondContact O-CA 3.24Å; S849-H857 PolarHBondContact N-O 2.82Å; S849-H857 PolarHBondContact O-N 2.76Å; S849-D939 VanDerWaalsContact CB-CG 3.48Å; S849-D939 VanDerWaalsContact CB-OD1 3.23Å; S849-D939 WeakPolarHBondContact CB-OD1 3.36Å; S849-D939 WeakPolarHBondContact CB-OD2 3.41Å; S849-D939 VanDerWaalsContact OG-CG 3.28Å; S849-D939 PolarHBondContact OG-OD1 2.93Å; S849-D939 PolarHBondContact OG-OD2 3.09Å |
| 850 | G | 88.3 | Confident | 91.6 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | trans | 157.8 | 152.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K779 K938 | K779-G850 WeakPolarHBondContact CD-O 3.47Å; K779-G850 WeakPolarHBondContact CE-O 3.3Å; K779-G850 PolarHBondContact NZ-O 2.93Å; G850-K938 PolarHBondContact N-O 3.49Å | ||
| 851 | I | 84.1 | Confident | 91.7 | Very high | 108 Ų | 108 | 24.2 Ų | 24.2 | 55% | 0.554 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -79.7 | -37.5 | 179.3 | -53.4 | 170.5 | 0 | 0 | 0 | 111.1 | K938 | I851-K938 HydrophobicContact CD1-CD 4.39Å; I851-K938 HydrophobicContact CG1-CD 3.8Å; I851-K938 HydrophobicContact CG1-CG 3.96Å |
| 852 | S | 83.6 | Confident | 91.7 | Very high | 38 Ų | 38 | 23.6 Ų | 23.6 | 27% | 0.266 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -103.9 | 180 | -173.4 | 108 | 0 | 0 | 0 | 0 | 112.2 | K779 E854 | K779-S852 WeakPolarHBondContact CD-O 3.29Å; S852-E854 WeakPolarHBondContact CB-OE2 3.28Å; S852-E854 PolarHBondContact OG-N 2.97Å; S852-E854 VanDerWaalsContact OG-N 3.16Å; S852-E854 PolarHBondContact OG-OE2 3.39Å |
| 853 | S | 82.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 24 Ų | 24 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -105.2 | 11.7 | 178.7 | 40.3 | 0 | 0 | 0 | 0 | 113.7 | F768 R777 | F768-S853 VanDerWaalsContact CD1-CB 3.42Å; F768-S853 VanDerWaalsContact CE1-CB 3.48Å; R777-S853 VanDerWaalsContact C-OG 3.28Å; R777-S853 WeakPolarHBondContact CG-OG 3.49Å; R777-S853 PolarHBondContact NH1-O 3.46Å; R777-S853 PolarHBondContact O-OG 2.85Å |
| 854 | E | 79.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 27.1 Ų | 27.1 | 50% | 0.5 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -118 | -22.9 | -172.6 | -60.4 | 63.9 | -122.9 | 0 | 0 | 111.4 | S852 | S852-E854 WeakPolarHBondContact CB-OE2 3.28Å; S852-E854 PolarHBondContact OG-N 2.97Å; S852-E854 VanDerWaalsContact OG-N 3.16Å; S852-E854 PolarHBondContact OG-OE2 3.39Å |
| 855 | S | 85.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 27.7 Ų | 27.7 | 48% | 0.483 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -148.2 | 156.3 | 173.7 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 856 | G | 89.9 | Confident | 87.8 | Confident | 19 Ų | 19 | 30.1 Ų | 30.1 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | trans | 165.6 | -163.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q522 S849 | Q522-G856 PolarHBondContact NE2-O 3.07Å; Q522-G856 VanDerWaalsContact NE2-O 3.09Å; Q522-G856 PolarHBondContact OE1-O 3.09Å; S849-G856 CarbonylContact O-C 3.59Å; S849-G856 WeakPolarHBondContact O-CA 3.24Å | ||
| 857 | H | 94.3 | Very high | 85.3 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.7 | 177.1 | -175.8 | 52.6 | 0 | 0 | 0 | 111.1 | C454 S849 N917 D918 | C454-H857 WeakPolarHBondContact CB-CE1 3.22Å; C454-H857 WeakPolarHBondContact CB-ND1 3.25Å; C454-H857 PolarHBondContact SG-ND1 2.82Å; S849-H857 PolarHBondContact N-O 2.82Å; S849-H857 PolarHBondContact O-N 2.76Å; H857-N917 PolarHBondContact NE2-OD1 3.44Å; H857-D918 IonicContact CE1-OD2 2.64Å; H857-D918 PolarHBondContact CE1-OD2 3.14Å |
| 858 | Y | 95.9 | Very high | 82.4 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.9 | 178.1 | -69.4 | -84 | 0 | 0 | 0 | 111.1 | S458 Q523 C525 V846 V847 H848 Y942 | S458-Y858 PolarHBondContact OG-O 3Å; Q523-Y858 WeakPolarHBondContact O-CE2 3.38Å; C525-Y858 HydrophobicContact CB-CD1 4.02Å; C525-Y858 HydrophobicContact CB-CE1 3.81Å; C525-Y858 HydrophobicContact CB-CG 4.44Å; C525-Y858 WeakPolarHBondContact SG-CE1 3.34Å; V846-Y858 HydrophobicContact CG1-CD1 4.12Å; V847-Y858 WeakPolarHBondContact O-CA 3.46Å; H848-Y858 HydrophobicContact CB-CD1 4.15Å; H848-Y858 HydrophobicContact CB-CE1 3.76Å; H848-Y858 AromaticContact CD2-CE1 3.75Å; H848-Y858 AromaticContact CD2-CE2 3.92Å; H848-Y858 AromaticContact CD2-CZ 3.64Å; H848-Y858 AromaticContact CG-CE1 3.96Å; Y858-Y942 HydrophobicContact CE1-CD1 4.07Å |
| 859 | Y | 96.2 | Very high | 79.7 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 168.8 | 168.2 | 59.3 | -92.2 | 0 | 0 | 0 | 109.4 | S458 V847 Y861 L915 F916 D939 | S458-Y859 VanDerWaalsContact OG-CA 3.26Å; S458-Y859 WeakPolarHBondContact OG-CA 3.35Å; S458-Y859 PolarHBondContact OG-N 2.82Å; V847-Y859 HydrophobicContact CB-CD1 4.49Å; V847-Y859 HydrophobicContact CB-CD2 4.09Å; V847-Y859 HydrophobicContact CB-CE1 4.16Å; V847-Y859 HydrophobicContact CB-CE2 3.74Å; V847-Y859 HydrophobicContact CB-CG 4.47Å; V847-Y859 HydrophobicContact CG1-CE1 4.06Å; V847-Y859 HydrophobicContact CG1-CE2 4.09Å; V847-Y859 HydrophobicContact CG2-CD2 4.21Å; V847-Y859 HydrophobicContact CG2-CE2 3.76Å; V847-Y859 PolarHBondContact N-O 2.92Å; V847-Y859 PolarHBondContact O-N 3.27Å; Y859-Y861 HydrophobicContact CD2-CE2 4.27Å; Y859-Y861 HydrophobicContact CE2-CD2 4.34Å; Y859-Y861 AromaticContact CE2-CE2 3.61Å; Y859-Y861 HydrophobicContact CE2-CE2 3.61Å; Y859-Y861 AromaticContact CE2-CZ 3.99Å; Y859-L915 HydrophobicContact CD2-CD1 3.45Å; Y859-L915 VanDerWaalsContact CD2-CD1 3.45Å; Y859-L915 HydrophobicContact CE2-CD1 4.04Å; Y859-L915 HydrophobicContact CG-CD1 4.25Å; Y859-F916 WeakPolarHBondContact CB-O 3.5Å; Y859-D939 VanDerWaalsContact CE1-OD2 3.27Å; Y859-D939 WeakPolarHBondContact CE1-OD2 3.44Å; Y859-D939 PolarHBondContact OH-OD2 2.64Å |
| 860 | S | 95.9 | Very high | 76.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.8 | -179.8 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | S458 V845 F916 | S458-S860 PolarHBondContact O-OG 3.18Å; V845-S860 CarbonylContact O-C 3.54Å; V845-S860 VanDerWaalsContact O-CA 3.32Å; V845-S860 WeakPolarHBondContact O-CA 3.26Å; S860-F916 PolarHBondContact N-O 2.82Å; S860-F916 PolarHBondContact O-N 3.24Å |
| 861 | Y | 95.1 | Very high | 73.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.6 | 165.7 | -67.2 | -75.1 | 0 | 0 | 0 | 109.1 | S844 V845 V847 Y859 F914 L915 T924 V929 I932 | S844-Y861 CarbonylContact C-O 3.12Å; S844-Y861 WeakPolarHBondContact CA-O 3.3Å; S844-Y861 WeakPolarHBondContact CB-O 3.49Å; V845-Y861 PolarHBondContact N-O 3.43Å; V845-Y861 PolarHBondContact O-N 2.68Å; V847-Y861 HydrophobicContact CG2-CD2 3.89Å; V847-Y861 HydrophobicContact CG2-CE2 3.96Å; Y859-Y861 HydrophobicContact CD2-CE2 4.27Å; Y859-Y861 HydrophobicContact CE2-CD2 4.34Å; Y859-Y861 AromaticContact CE2-CE2 3.61Å; Y859-Y861 HydrophobicContact CE2-CE2 3.61Å; Y859-Y861 AromaticContact CE2-CZ 3.99Å; Y861-F914 WeakPolarHBondContact CA-O 3.36Å; Y861-L915 HydrophobicContact CD1-CB 4.09Å; Y861-L915 HydrophobicContact CD1-CD1 4.13Å; Y861-L915 HydrophobicContact CE1-CB 3.94Å; Y861-L915 HydrophobicContact CE1-CD1 3.84Å; Y861-L915 HydrophobicContact CE1-CD2 4.34Å; Y861-L915 HydrophobicContact CE1-CG 4.25Å; Y861-T924 HydrophobicContact CD1-CG2 3.66Å; Y861-T924 HydrophobicContact CE1-CG2 3.82Å; Y861-V929 HydrophobicContact CD1-CG2 3.82Å; Y861-V929 HydrophobicContact CD2-CG1 4.43Å; Y861-V929 HydrophobicContact CD2-CG2 4.12Å; Y861-V929 HydrophobicContact CE1-CG2 4.34Å; Y861-V929 HydrophobicContact CG-CG2 3.69Å; Y861-I932 HydrophobicContact CD2-CD1 3.8Å; Y861-I932 HydrophobicContact CE2-CD1 3.46Å; Y861-I932 VanDerWaalsContact CE2-CD1 3.46Å; Y861-I932 HydrophobicContact CE2-CG1 3.76Å |
| 862 | A | 93.2 | Very high | 71.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M465 S843 F914 F916 | M465-A862 HydrophobicContact CB-CB 3.71Å; M465-A862 HydrophobicContact CE-CB 4.29Å; M465-A862 HydrophobicContact CG-CB 3.82Å; S843-A862 WeakPolarHBondContact O-CA 3.25Å; A862-F914 PolarHBondContact N-O 2.99Å; A862-F914 PolarHBondContact O-N 2.72Å; A862-F916 HydrophobicContact CB-CE2 4.02Å |
| 863 | R | 89.6 | Confident | 68.5 | Low | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.038 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 162.6 | 171.1 | 59.9 | 165.5 | 169.5 | -172.8 | -8 | 111.6 | L842 S843 I865 E912 W913 | L842-R863 PolarHBondContact O-NE 2.98Å; L842-R863 PolarHBondContact O-NH2 3.12Å; S843-R863 PolarHBondContact O-N 3.04Å; R863-I865 HydrophobicContact CG-CG1 4.19Å; R863-E912 WeakPolarHBondContact CB-O 3.33Å; R863-W913 HydrophobicContact CB-CD2 3.96Å; R863-W913 HydrophobicContact CB-CE3 4.33Å; R863-W913 HydrophobicContact CB-CG 4.17Å; R863-W913 HydrophobicContact CG-CD2 4.19Å; R863-W913 HydrophobicContact CG-CE3 4.48Å; R863-W913 HydrophobicContact CG-CH2 4.28Å; R863-W913 HydrophobicContact CG-CZ2 3.95Å |
| 864 | N | 79.9 | Confident | 65.8 | Low | 65 Ų | 65 | 70.7 Ų | 70.7 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | trans | -93.5 | 111.3 | -178.2 | -167.9 | 41.5 | 0 | 0 | 0 | 110 | M465 T467 | M465-N864 HydrophobicContact CE-CB 4.29Å; T467-N864 WeakPolarHBondContact CG2-OD1 3.42Å | ||
| 865 | I | 70.9 | Confident | 63.3 | Low | 13 Ų | 13 | 74.9 Ų | 74.9 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | trans | -105.6 | 81.6 | -177.1 | -49.6 | -179.2 | 0 | 0 | 0 | 111.2 | T467 L841 R863 K947 | T467-I865 PolarHBondContact OG1-O 3.49Å; L841-I865 HydrophobicContact CD2-CD1 4.05Å; L841-I865 HydrophobicContact CD2-CG2 4Å; L841-I865 HydrophobicContact CG-CD1 4.13Å; R863-I865 HydrophobicContact CG-CG1 4.19Å; I865-K947 HydrophobicContact CB-CD 4.09Å; I865-K947 HydrophobicContact CD1-CB 4.24Å; I865-K947 HydrophobicContact CG2-CD 3.92Å; I865-K947 PolarHBondContact O-NZ 3.01Å | ||
| 866 | T | 57.3 | Low | 60.5 | Low | 52 Ų | 52 | 79.1 Ų | 79.1 | 32% | 0.319 | 42% | 0.416 | S | S | . | . | trans | -73.8 | 127.1 | 172.3 | 45.7 | 0 | 0 | 0 | 0 | 111.4 | T868 | T866-T868 PolarHBondContact O-N 3.32Š| ||
| 867 | G | 43.5 | Very low | 57.5 | Low | 71 Ų | 71 | 87.3 Ų | 87.3 | 73% | 0.732 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 36.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 868 | T | 35.3 | Very low | 54.4 | Low | 123 Ų | 123 | 90 Ų | 90 | 76% | 0.755 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.6 | 175.8 | -22.7 | 0 | 0 | 0 | 0 | 112.3 | T866 S870 | T866-T868 PolarHBondContact O-N 3.32Å; T868-S870 PolarHBondContact O-N 3.46Å; T868-S870 VanDerWaalsContact O-N 3.13Å |
| 869 | E | 38.5 | Very low | 51.1 | Low | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | trans | -76.1 | 95.4 | 179 | -62.3 | -168.2 | 159.9 | 0 | 0 | 111.2 | K911 | E869-K911 WeakPolarHBondContact OE1-CE 3.42Å; E869-K911 IonicContact OE1-NZ 2.64Å; E869-K911 PolarHBondContact OE1-NZ 2.73Å; E869-K911 IonicContact OE2-NZ 2.77Å; E869-K911 PolarHBondContact OE2-NZ 3.16Å | ||
| 870 | S | 29.6 | Very low | 47.8 | Very low | 91 Ų | 91 | 102.3 Ų | 102.3 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | trans | -142.3 | 145.1 | 167.4 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | T868 | T868-S870 PolarHBondContact O-N 3.46Å; T868-S870 VanDerWaalsContact O-N 3.13Å | ||
| 871 | S | 29.5 | Very low | 44.6 | Very low | 104 Ų | 104 | 111 Ų | 111 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | trans | 70.2 | 90.8 | -175.9 | -46.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 872 | Y | 27.1 | Very low | 41.4 | Very low | 228 Ų | 228 | 114.8 Ų | 114.8 | 89% | 0.894 | 63% | 0.63 | S | S | * | * | -143.4 | 164.4 | 114.9 | -90.4 | -67.9 | 0 | 0 | 0 | 108.7 | |||||
| 873 | Q | 28.3 | Very low | 38.3 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | trans | -76.1 | 129.2 | -157.9 | -66.2 | 150.7 | -61.7 | 0 | 0 | 113.7 | ||||
| 874 | I | 27.4 | Very low | 35.3 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 86% | 0.862 | 71% | 0.713 | S | S | * | * | trans | -110.6 | 113.7 | 154.8 | -60.2 | 177.5 | 0 | 0 | 0 | 106.2 | ||||
| 875 | Y | 26.8 | Very low | 32.8 | Very low | 196 Ų | 196 | 130 Ų | 130 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -101 | 151.9 | 170.3 | -111.7 | -89.1 | 0 | 0 | 0 | 109.8 | Q877 | Y875-Q877 PolarHBondContact O-N 2.89Š| ||
| 876 | H | 26.8 | Very low | 30.7 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -50.4 | 129.9 | -170.5 | -71.7 | -124.9 | 0 | 0 | 0 | 114.2 | ||||
| 877 | Q | 27.4 | Very low | 29.3 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -110.7 | 39.3 | 164.1 | -155.8 | 179.3 | 17.2 | 0 | 0 | 111.9 | Y875 | Y875-Q877 PolarHBondContact O-N 2.89Š|
| 878 | S | 27.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -150.3 | 56.2 | 175.5 | -77.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 879 | E | 26.9 | Very low | 27.9 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -163.9 | 54.3 | 160.9 | -120.8 | 169.5 | -167.2 | 0 | 0 | 112.9 | ||
| 880 | A | 27 | Very low | 27.4 | Very low | 102 Ų | 102 | 153.3 Ų | 153.3 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -140.4 | 13.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 881 | L | 28.1 | Very low | 27.3 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 96% | 0.963 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -121.1 | 13.3 | -176.8 | -80.7 | 170.9 | 0 | 0 | 0 | 114.6 | ||
| 882 | A | 28.1 | Very low | 27 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -132.2 | 33.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 883 | L | 28.2 | Very low | 26.9 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -159.1 | 43.5 | 170.3 | -115 | 168.4 | 0 | 0 | 0 | 114.8 | ||
| 884 | A | 27.8 | Very low | 26.7 | Very low | 103 Ų | 103 | 157 Ų | 157 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -137.2 | 26.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 885 | S | 26.8 | Very low | 26.5 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -112.4 | 46.8 | -172.3 | 49.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 886 | S | 26.7 | Very low | 26.5 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -160.2 | 131.4 | 167.1 | -86.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 887 | Q | 28.8 | Very low | 26.2 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | 63 | 121.9 | -177.9 | -47.1 | -178.2 | 8.5 | 0 | 0 | 113.5 | ||||
| 888 | R | 24.9 | Very low | 26.2 | Very low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | cis | -143.6 | 151.1 | 34.2 | -70 | 176.1 | 177.2 | 142.6 | 3.5 | 113.4 | ||||
| 889 | H | 24.2 | Very low | 26.1 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 82% | 0.819 | 84% | 0.837 | S | S | * | * | trans | -83.7 | 166.2 | 163.1 | -138.3 | -98.6 | 0 | 0 | 0 | 110.1 | ||||
| 890 | L | 27.1 | Very low | 26.1 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 78% | 0.78 | 84% | 0.837 | S | S | * | * | trans | 89.8 | 132.3 | 167 | -58.2 | 165 | 0 | 0 | 0 | 119 | ||||
| 891 | L | 27.2 | Very low | 26 | Very low | 179 Ų | 179 | 150 Ų | 150 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | 64.7 | 116 | 169.9 | -53.3 | -179 | 0 | 0 | 0 | 116.2 | ||||
| 892 | G | 24.2 | Very low | 26 | Very low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -122.6 | 165.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 893 | R | 25.3 | Very low | 25.9 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -153.5 | 163.2 | 163.1 | -148.8 | 175.6 | 178.7 | -153.2 | -4.4 | 109.7 | ||||
| 894 | E | 24.2 | Very low | 25.9 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -69.1 | 156.9 | -169 | -60.2 | 126.8 | 137 | 0 | 0 | 114.5 | ||||
| 895 | S | 22.5 | Very low | 26.1 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -129.7 | 125.4 | -172.5 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 896 | P | 26.1 | Very low | 26.2 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -88.7 | 143.1 | 157.7 | 34.2 | -29.4 | 0 | 0 | 0 | 110.4 | ||||
| 897 | S | 20.8 | Very low | 26.2 | Very low | 111 Ų | 111 | 156.5 Ų | 156.5 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -134.8 | 157.5 | -172.4 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 898 | A | 27.8 | Very low | 26.4 | Very low | 97 Ų | 97 | 154.8 Ų | 154.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 72 | 68.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 899 | V | 26.3 | Very low | 26.6 | Very low | 132 Ų | 132 | 152 Ų | 152 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -141.9 | 69.5 | 151.5 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 900 | F | 25.4 | Very low | 27.2 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -158.7 | 39.8 | 175.3 | -103.8 | -58.5 | 0 | 0 | 0 | 115.4 | ||||
| 901 | E | 25.8 | Very low | 28.5 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -126 | -12.7 | 173.1 | -81 | -174 | 145.2 | 0 | 0 | 115.7 | ||
| 902 | Q | 28.7 | Very low | 30.8 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -14.4 | -173.6 | -78.1 | -177.8 | -49.4 | 0 | 0 | 116.1 | L904 | Q902-L904 PolarHBondContact O-N 2.87Š|
| 903 | D | 26.3 | Very low | 33.8 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -2.2 | -169.6 | -78.4 | -40 | 0 | 0 | 0 | 115.8 | ||
| 904 | L | 27.5 | Very low | 36.9 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -22.7 | 176.3 | -90.4 | 85.6 | 0 | 0 | 0 | 115.1 | Q902 N906 | Q902-L904 PolarHBondContact O-N 2.87Å; L904-N906 VanDerWaalsContact C-N 3.29Å; L904-N906 PolarHBondContact O-N 2.74Å |
| 905 | E | 31 | Very low | 40.2 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -67.6 | -30 | 179.3 | -63.8 | -166.4 | 133.7 | 0 | 0 | 112.5 | K907 E908 | E905-K907 PolarHBondContact O-N 2.79Å; E905-E908 PolarHBondContact O-N 3.32Å |
| 906 | N | 28.6 | Very low | 43.6 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 69% | 0.69 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -69.3 | 18 | -175.7 | -73.4 | -43.6 | 0 | 0 | 0 | 115.6 | L904 | L904-N906 VanDerWaalsContact C-N 3.29Å; L904-N906 PolarHBondContact O-N 2.74Å |
| 907 | K | 27.4 | Very low | 46.8 | Very low | 194 Ų | 194 | 110.9 Ų | 110.9 | 84% | 0.843 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -113.4 | -3.2 | 173.7 | -85.4 | -177.7 | 176.7 | 172.9 | 0 | 115.5 | E905 M909 | E905-K907 PolarHBondContact O-N 2.79Å; K907-M909 PolarHBondContact O-N 3.26Å |
| 908 | E | 32.6 | Very low | 50.3 | Low | 145 Ų | 145 | 106.5 Ų | 106.5 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | trans | -75.7 | 34.5 | 174.7 | -73 | -140.9 | 117.1 | 0 | 0 | 114.7 | E905 S910 | E905-E908 PolarHBondContact O-N 3.32Å; E908-S910 PolarHBondContact O-N 2.82Å | ||
| 909 | M | 30.4 | Very low | 53.2 | Low | 172 Ų | 172 | 104.7 Ų | 104.7 | 85% | 0.847 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 82.9 | 174 | -76.3 | 179.1 | 57.6 | 0 | 0 | 112 | K907 | K907-M909 PolarHBondContact O-N 3.26Š|
| 910 | S | 36.8 | Very low | 56.1 | Low | 109 Ų | 109 | 103.8 Ų | 103.8 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 174.7 | 28.6 | 150.8 | 42.9 | 0 | 0 | 0 | 0 | 117 | E908 | E908-S910 PolarHBondContact O-N 2.82Š|
| 911 | K | 53.7 | Low | 59.1 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 37% | 0.365 | 47% | 0.469 | S | S | . | . | trans | -116.6 | 78.7 | 176 | -59.4 | -165.1 | -172.4 | -168.2 | 0 | 113 | E869 W913 | E869-K911 WeakPolarHBondContact OE1-CE 3.42Å; E869-K911 IonicContact OE1-NZ 2.64Å; E869-K911 PolarHBondContact OE1-NZ 2.73Å; E869-K911 IonicContact OE2-NZ 2.77Å; E869-K911 PolarHBondContact OE2-NZ 3.16Å; K911-W913 PolarHBondContact O-N 3.4Å | ||
| 912 | E | 74.8 | Confident | 61.9 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | trans | -57 | 119.9 | 179.2 | -61.5 | -179.1 | 152.4 | 0 | 0 | 112.3 | R863 F914 | R863-E912 WeakPolarHBondContact CB-O 3.33Å; E912-F914 HydrophobicContact CB-CE2 3.82Å; E912-F914 HydrophobicContact CB-CZ 3.82Å; E912-F914 WeakPolarHBondContact OE2-CZ 3.37Å | ||
| 913 | W | 87.9 | Confident | 64.6 | Low | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.015 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.1 | 164.4 | -77.2 | 80.4 | 0 | 0 | 0 | 109.9 | L788 L842 R863 K911 T924 F926 V929 | L788-W913 HydrophobicContact CD1-CZ2 4.37Å; L842-W913 HydrophobicContact CD2-CH2 3.89Å; L842-W913 HydrophobicContact CD2-CZ2 4.44Å; L842-W913 HydrophobicContact CG-CH2 4.04Å; R863-W913 HydrophobicContact CB-CD2 3.96Å; R863-W913 HydrophobicContact CB-CE3 4.33Å; R863-W913 HydrophobicContact CB-CG 4.17Å; R863-W913 HydrophobicContact CG-CD2 4.19Å; R863-W913 HydrophobicContact CG-CE3 4.48Å; R863-W913 HydrophobicContact CG-CH2 4.28Å; R863-W913 HydrophobicContact CG-CZ2 3.95Å; K911-W913 PolarHBondContact O-N 3.4Å; W913-T924 HydrophobicContact CB-CG2 3.76Å; W913-T924 PolarHBondContact O-N 3.4Å; W913-F926 HydrophobicContact CH2-CD2 4.4Å; W913-F926 AromaticContact CZ2-CD2 3.72Å; W913-F926 HydrophobicContact CZ2-CD2 3.72Å; W913-F926 HydrophobicContact CZ2-CE2 4.39Å; W913-V929 HydrophobicContact CD2-CG2 4.33Å; W913-V929 HydrophobicContact CE3-CG2 3.97Å; W913-V929 HydrophobicContact CZ3-CG2 4.18Å |
| 914 | F | 91.5 | Very high | 67.4 | Low | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.009 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.8 | 178.9 | -56.6 | -91 | 0 | 0 | 0 | 109.3 | T442 K444 M465 Y861 A862 E912 F916 V921 T922 F923 | T442-F914 HydrophobicContact CG2-CD1 4.17Å; T442-F914 HydrophobicContact CG2-CE1 4.49Å; K444-F914 HydrophobicContact CD-CE1 4.4Å; K444-F914 VanDerWaalsContact CE-CE1 3.48Å; K444-F914 HydrophobicContact CG-CD1 3.82Å; K444-F914 HydrophobicContact CG-CE1 3.94Å; K444-F914 HydrophobicContact CG-CG 4.38Å; M465-F914 HydrophobicContact CE-CD2 3.72Å; M465-F914 HydrophobicContact CE-CE2 4.18Å; Y861-F914 WeakPolarHBondContact CA-O 3.36Å; A862-F914 PolarHBondContact N-O 2.99Å; A862-F914 PolarHBondContact O-N 2.72Å; E912-F914 HydrophobicContact CB-CE2 3.82Å; E912-F914 HydrophobicContact CB-CZ 3.82Å; E912-F914 WeakPolarHBondContact OE2-CZ 3.37Å; F914-F916 HydrophobicContact CB-CD2 4.21Å; F914-F916 HydrophobicContact CB-CE2 3.51Å; F914-F916 HydrophobicContact CB-CZ 3.85Å; F914-F916 HydrophobicContact CG-CE2 4.49Å; F914-F916 HydrophobicContact CG-CZ 4.47Å; F914-V921 HydrophobicContact CB-CG1 4.24Å; F914-T922 WeakPolarHBondContact CA-O 3.46Å; F914-F923 HydrophobicContact CD1-CD1 4.26Å; F914-F923 HydrophobicContact CD1-CE1 4.37Å; F914-F923 AromaticContact CE1-CD1 3.89Å; F914-F923 HydrophobicContact CE1-CD1 3.89Å; F914-F923 AromaticContact CE1-CE1 3.59Å; F914-F923 HydrophobicContact CE1-CE1 3.59Å; F914-F923 HydrophobicContact CE1-CZ 4.44Å; F914-F923 HydrophobicContact CZ-CE1 4.18Å |
| 915 | L | 92.7 | Very high | 70.1 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.1 | 168.2 | 168.6 | 58 | 0 | 0 | 0 | 108.5 | Y859 Y861 V921 T922 T924 | Y859-L915 HydrophobicContact CD2-CD1 3.45Å; Y859-L915 VanDerWaalsContact CD2-CD1 3.45Å; Y859-L915 HydrophobicContact CE2-CD1 4.04Å; Y859-L915 HydrophobicContact CG-CD1 4.25Å; Y861-L915 HydrophobicContact CD1-CB 4.09Å; Y861-L915 HydrophobicContact CD1-CD1 4.13Å; Y861-L915 HydrophobicContact CE1-CB 3.94Å; Y861-L915 HydrophobicContact CE1-CD1 3.84Å; Y861-L915 HydrophobicContact CE1-CD2 4.34Å; Y861-L915 HydrophobicContact CE1-CG 4.25Å; L915-V921 VanDerWaalsContact O-CA 3.32Å; L915-V921 WeakPolarHBondContact O-CA 3.06Å; L915-T922 PolarHBondContact N-O 2.95Å; L915-T922 PolarHBondContact O-N 3.41Å; L915-T924 HydrophobicContact CB-CG2 4.14Å |
| 916 | F | 93.8 | Very high | 72.6 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 109.5 | 174.6 | -59.6 | -95.8 | 0 | 0 | 0 | 109.3 | K444 Q461 M465 Y859 S860 A862 F914 V921 | K444-F916 HydrophobicContact CB-CE1 4.21Å; K444-F916 HydrophobicContact CG-CE1 4.47Å; K444-F916 HydrophobicContact CG-CZ 4.46Å; Q461-F916 HydrophobicContact CB-CB 4.07Å; Q461-F916 HydrophobicContact CB-CD1 3.99Å; Q461-F916 HydrophobicContact CB-CD2 4.33Å; Q461-F916 HydrophobicContact CB-CG 3.89Å; Q461-F916 HydrophobicContact CG-CB 4Å; Q461-F916 HydrophobicContact CG-CD1 3.76Å; Q461-F916 HydrophobicContact CG-CE1 4.47Å; Q461-F916 HydrophobicContact CG-CG 4Å; M465-F916 HydrophobicContact CE-CE2 4.4Å; M465-F916 HydrophobicContact CE-CZ 4.26Å; M465-F916 HydrophobicContact CG-CE2 3.95Å; M465-F916 HydrophobicContact CG-CZ 3.79Å; M465-F916 HydrophobicContact SD-CE2 4.39Å; M465-F916 HydrophobicContact SD-CZ 3.84Å; Y859-F916 WeakPolarHBondContact CB-O 3.5Å; S860-F916 PolarHBondContact N-O 2.82Å; S860-F916 PolarHBondContact O-N 3.24Å; A862-F916 HydrophobicContact CB-CE2 4.02Å; F914-F916 HydrophobicContact CB-CD2 4.21Å; F914-F916 HydrophobicContact CB-CE2 3.51Å; F914-F916 HydrophobicContact CB-CZ 3.85Å; F914-F916 HydrophobicContact CG-CE2 4.49Å; F914-F916 HydrophobicContact CG-CZ 4.47Å; F916-V921 HydrophobicContact CD1-CB 4.27Å; F916-V921 HydrophobicContact CD1-CG1 3.65Å; F916-V921 HydrophobicContact CD1-CG2 3.57Å; F916-V921 HydrophobicContact CE1-CG1 3.64Å; F916-V921 HydrophobicContact CE1-CG2 4.01Å; F916-V921 HydrophobicContact CG-CG1 4.18Å; F916-V921 HydrophobicContact CG-CG2 4.46Å; F916-V921 HydrophobicContact CZ-CG1 4.14Å |
| 917 | N | 93.4 | Very high | 75.2 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 89.2 | 176.7 | -171.7 | 0.1 | 0 | 0 | 0 | 109 | H857 S919 R920 | H857-N917 PolarHBondContact NE2-OD1 3.44Å; N917-S919 PolarHBondContact O-N 3.21Å; N917-S919 VanDerWaalsContact O-N 3.13Å; N917-R920 PolarHBondContact N-O 3.32Å; N917-R920 PolarHBondContact O-N 2.9Å |
| 918 | D | 93.9 | Very high | 77.7 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | -113 | -170.1 | -72.3 | -39.8 | 0 | 0 | 0 | 112.6 | G446 L447 N449 N457 H857 R920 | G446-D918 CarbonylContact C-O 3.44Å; G446-D918 WeakPolarHBondContact CA-O 3.48Å; L447-D918 PolarHBondContact N-O 3.44Å; L447-D918 CarbonylContact O-C 3.5Å; L447-D918 WeakPolarHBondContact O-CA 3.5Å; L447-D918 WeakPolarHBondContact O-CB 3.03Å; N449-D918 HydrophobicContact CB-CB 4.23Å; N449-D918 WeakPolarHBondContact CB-OD2 3.42Å; N449-D918 PolarHBondContact ND2-OD2 3.4Å; N457-D918 WeakPolarHBondContact CB-OD1 3.13Å; N457-D918 PolarHBondContact ND2-OD1 3.24Å; H857-D918 IonicContact CE1-OD2 2.64Å; H857-D918 PolarHBondContact CE1-OD2 3.14Å; D918-R920 VanDerWaalsContact C-N 3.27Å; D918-R920 PolarHBondContact O-N 3.32Å |
| 919 | S | 89.4 | Confident | 80.1 | Confident | 59 Ų | 59 | 53 Ų | 53 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.3 | -176.5 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | L447 N917 | L447-S919 PolarHBondContact O-N 3.02Å; L447-S919 VanDerWaalsContact O-N 3.17Å; N917-S919 PolarHBondContact O-N 3.21Å; N917-S919 VanDerWaalsContact O-N 3.13Å |
| 920 | R | 86.4 | Confident | 82.6 | Confident | 112 Ų | 112 | 49.2 Ų | 49.2 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.7 | -177.9 | -67.5 | 175.7 | 169.1 | -127.3 | 2.8 | 110.3 | H387 S389 N917 D918 | H387-R920 PolarHBondContact O-NH1 2.94Å; H387-R920 PolarHBondContact O-NH2 3.06Å; S389-R920 PolarHBondContact OG-NH2 3.14Å; N917-R920 PolarHBondContact N-O 3.32Å; N917-R920 PolarHBondContact O-N 2.9Å; D918-R920 VanDerWaalsContact C-N 3.27Å; D918-R920 PolarHBondContact O-N 3.32Å |
| 921 | V | 88.8 | Confident | 84.7 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.2 | 168.9 | -166.3 | 0 | 0 | 0 | 0 | 108.9 | S440 T442 K444 F914 L915 F916 | S440-V921 PolarHBondContact OG-O 3.04Å; T442-V921 HydrophobicContact CG2-CG1 4.38Å; T442-V921 WeakPolarHBondContact CG2-O 3.45Å; K444-V921 HydrophobicContact CB-CB 4.27Å; K444-V921 HydrophobicContact CB-CG1 3.88Å; K444-V921 HydrophobicContact CB-CG2 4.38Å; K444-V921 HydrophobicContact CG-CG1 4.21Å; F914-V921 HydrophobicContact CB-CG1 4.24Å; L915-V921 VanDerWaalsContact O-CA 3.32Å; L915-V921 WeakPolarHBondContact O-CA 3.06Å; F916-V921 HydrophobicContact CD1-CB 4.27Å; F916-V921 HydrophobicContact CD1-CG1 3.65Å; F916-V921 HydrophobicContact CD1-CG2 3.57Å; F916-V921 HydrophobicContact CE1-CG1 3.64Å; F916-V921 HydrophobicContact CE1-CG2 4.01Å; F916-V921 HydrophobicContact CG-CG1 4.18Å; F916-V921 HydrophobicContact CG-CG2 4.46Å; F916-V921 HydrophobicContact CZ-CG1 4.14Å |
| 922 | T | 85.5 | Confident | 86.1 | Confident | 48 Ų | 48 | 44 Ų | 44 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.8 | -178.3 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | F914 L915 | F914-T922 WeakPolarHBondContact CA-O 3.46Å; L915-T922 PolarHBondContact N-O 2.95Å; L915-T922 PolarHBondContact O-N 3.41Å |
| 923 | F | 84.4 | Confident | 86.4 | Confident | 86 Ų | 86 | 39 Ų | 39 | 38% | 0.377 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 152.7 | 170.5 | -67.7 | -75.8 | 0 | 0 | 0 | 111.1 | T442 F914 | T442-F923 HydrophobicContact CG2-CD1 4.45Å; T442-F923 HydrophobicContact CG2-CD2 3.83Å; T442-F923 HydrophobicContact CG2-CE2 3.89Å; T442-F923 HydrophobicContact CG2-CG 4.14Å; T442-F923 HydrophobicContact CG2-CZ 4.25Å; F914-F923 HydrophobicContact CD1-CD1 4.26Å; F914-F923 HydrophobicContact CD1-CE1 4.37Å; F914-F923 AromaticContact CE1-CD1 3.89Å; F914-F923 HydrophobicContact CE1-CD1 3.89Å; F914-F923 AromaticContact CE1-CE1 3.59Å; F914-F923 HydrophobicContact CE1-CE1 3.59Å; F914-F923 HydrophobicContact CE1-CZ 4.44Å; F914-F923 HydrophobicContact CZ-CE1 4.18Å |
| 924 | T | 85 | Confident | 85.9 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | -178 | 176.7 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | Y861 W913 L915 | Y861-T924 HydrophobicContact CD1-CG2 3.66Å; Y861-T924 HydrophobicContact CE1-CG2 3.82Å; W913-T924 HydrophobicContact CB-CG2 3.76Å; W913-T924 PolarHBondContact O-N 3.4Å; L915-T924 HydrophobicContact CB-CG2 4.14Å |
| 925 | S | 84.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 34% | 0.343 | 24% | 0.24 | S | C | . | . | trans | -124.7 | 152.7 | -173.7 | 64.9 | 0 | 0 | 0 | 0 | 112 | Q927 S928 V929 | S925-Q927 PolarHBondContact O-N 3.2Å; S925-S928 VanDerWaalsContact O-CB 3.27Å; S925-S928 WeakPolarHBondContact O-CB 3.27Å; S925-S928 PolarHBondContact O-N 2.87Å; S925-S928 PolarHBondContact OG-N 3.05Å; S925-S928 PolarHBondContact OG-OG 2.98Å; S925-V929 PolarHBondContact O-N 2.91Å | ||
| 926 | F | 83.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 174.2 | -179.7 | -122.3 | 0 | 0 | 0 | 112.3 | L788 L842 W913 S928 V929 Q930 | L788-F926 HydrophobicContact CB-CE1 3.74Å; L788-F926 HydrophobicContact CB-CZ 3.72Å; L788-F926 HydrophobicContact CD1-CD1 3.88Å; L788-F926 HydrophobicContact CD1-CD2 3.77Å; L788-F926 HydrophobicContact CD1-CE1 3.76Å; L788-F926 HydrophobicContact CD1-CE2 3.68Å; L788-F926 HydrophobicContact CD1-CG 3.89Å; L788-F926 HydrophobicContact CD1-CZ 3.67Å; L788-F926 HydrophobicContact CD2-CD1 4.46Å; L788-F926 HydrophobicContact CD2-CE1 4.38Å; L788-F926 HydrophobicContact CG-CE1 4.17Å; L788-F926 HydrophobicContact CG-CZ 4.27Å; L842-F926 HydrophobicContact CD2-CE2 3.93Å; W913-F926 HydrophobicContact CH2-CD2 4.4Å; W913-F926 AromaticContact CZ2-CD2 3.72Å; W913-F926 HydrophobicContact CZ2-CD2 3.72Å; W913-F926 HydrophobicContact CZ2-CE2 4.39Å; F926-S928 PolarHBondContact O-N 3.47Å; F926-V929 HydrophobicContact CD2-CB 4.18Å; F926-V929 CarbonylContact O-C 3.47Å; F926-V929 WeakPolarHBondContact O-CA 3.16Å; F926-V929 WeakPolarHBondContact O-CB 3.48Å; F926-V929 PolarHBondContact O-N 3.44Å; F926-Q930 HydrophobicContact CD1-CG 4.11Å; F926-Q930 HydrophobicContact CD2-CG 4.36Å; F926-Q930 HydrophobicContact CE1-CG 3.58Å; F926-Q930 VanDerWaalsContact CE1-NE2 3.32Å; F926-Q930 HydrophobicContact CE2-CG 3.84Å; F926-Q930 HydrophobicContact CG-CG 4.48Å; F926-Q930 HydrophobicContact CZ-CG 3.41Å; F926-Q930 VanDerWaalsContact CZ-CG 3.41Å; F926-Q930 PolarHBondContact O-N 2.67Å |
| 927 | Q | 82 | Confident | 84.4 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -31.4 | 175.2 | -154.2 | -165 | 79.4 | 0 | 0 | 112.3 | S925 K931 | S925-Q927 PolarHBondContact O-N 3.2Å; Q927-K931 HydrophobicContact CG-CD 4.13Å; Q927-K931 VanDerWaalsContact O-CB 3.31Å; Q927-K931 WeakPolarHBondContact O-CB 3.43Å; Q927-K931 VanDerWaalsContact O-CG 3.3Å; Q927-K931 WeakPolarHBondContact O-CG 3.29Å; Q927-K931 PolarHBondContact O-N 2.88Å; Q927-K931 VanDerWaalsContact O-N 3.12Å |
| 928 | S | 81.1 | Confident | 84.1 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 171.4 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S925 F926 K931 I932 | S925-S928 VanDerWaalsContact O-CB 3.27Å; S925-S928 WeakPolarHBondContact O-CB 3.27Å; S925-S928 PolarHBondContact O-N 2.87Å; S925-S928 PolarHBondContact OG-N 3.05Å; S925-S928 PolarHBondContact OG-OG 2.98Å; F926-S928 PolarHBondContact O-N 3.47Å; S928-K931 PolarHBondContact O-N 3.26Å; S928-I932 WeakPolarHBondContact O-CG1 3.42Å; S928-I932 PolarHBondContact O-N 2.72Å |
| 929 | V | 83.1 | Confident | 84 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 112 | L786 V845 Y861 W913 S925 F926 I932 | L786-V929 HydrophobicContact CD1-CG1 4.31Å; V845-V929 HydrophobicContact CB-CG1 4.24Å; V845-V929 HydrophobicContact CG2-CG1 3.8Å; Y861-V929 HydrophobicContact CD1-CG2 3.82Å; Y861-V929 HydrophobicContact CD2-CG1 4.43Å; Y861-V929 HydrophobicContact CD2-CG2 4.12Å; Y861-V929 HydrophobicContact CE1-CG2 4.34Å; Y861-V929 HydrophobicContact CG-CG2 3.69Å; W913-V929 HydrophobicContact CD2-CG2 4.33Å; W913-V929 HydrophobicContact CE3-CG2 3.97Å; W913-V929 HydrophobicContact CZ3-CG2 4.18Å; S925-V929 PolarHBondContact O-N 2.91Å; F926-V929 HydrophobicContact CD2-CB 4.18Å; F926-V929 CarbonylContact O-C 3.47Å; F926-V929 WeakPolarHBondContact O-CA 3.16Å; F926-V929 WeakPolarHBondContact O-CB 3.48Å; F926-V929 PolarHBondContact O-N 3.44Å; V929-I932 HydrophobicContact CG1-CD1 4.17Å; V929-I932 WeakPolarHBondContact O-CD1 3.37Å; V929-I932 VanDerWaalsContact O-CG1 3.26Å; V929-I932 WeakPolarHBondContact O-CG1 3.33Å |
| 930 | Q | 83.2 | Confident | 84.2 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.6 | -34.6 | 174.2 | -68.4 | -178.4 | -57.6 | 0 | 0 | 112.6 | F926 | F926-Q930 HydrophobicContact CD1-CG 4.11Å; F926-Q930 HydrophobicContact CD2-CG 4.36Å; F926-Q930 HydrophobicContact CE1-CG 3.58Å; F926-Q930 VanDerWaalsContact CE1-NE2 3.32Å; F926-Q930 HydrophobicContact CE2-CG 3.84Å; F926-Q930 HydrophobicContact CG-CG 4.48Å; F926-Q930 HydrophobicContact CZ-CG 3.41Å; F926-Q930 VanDerWaalsContact CZ-CG 3.41Å; F926-Q930 PolarHBondContact O-N 2.67Å |
| 931 | K | 79.9 | Confident | 84.6 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -90.6 | 2.5 | -174.2 | -68.6 | 178.1 | -179.1 | 173.9 | 0 | 114.4 | Q927 S928 T933 S934 R935 | Q927-K931 HydrophobicContact CG-CD 4.13Å; Q927-K931 VanDerWaalsContact O-CB 3.31Å; Q927-K931 WeakPolarHBondContact O-CB 3.43Å; Q927-K931 VanDerWaalsContact O-CG 3.3Å; Q927-K931 WeakPolarHBondContact O-CG 3.29Å; Q927-K931 PolarHBondContact O-N 2.88Å; Q927-K931 VanDerWaalsContact O-N 3.12Å; S928-K931 PolarHBondContact O-N 3.26Å; K931-T933 PolarHBondContact O-N 2.92Å; K931-S934 WeakPolarHBondContact CA-OG 3.35Å; K931-S934 WeakPolarHBondContact CB-OG 3.41Å; K931-S934 PolarHBondContact O-N 3.25Å; K931-S934 VanDerWaalsContact O-N 3.09Å; K931-S934 PolarHBondContact O-OG 3.35Å; K931-R935 HydrophobicContact CB-CG 4.3Å; K931-R935 PolarHBondContact O-N 2.82Å |
| 932 | I | 83.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -45 | -66.5 | -175.5 | -60.9 | 160.4 | 0 | 0 | 0 | 111.9 | V847 Y861 S928 V929 S934 R935 F936 D939 | V847-I932 HydrophobicContact CG1-CG2 4.1Å; V847-I932 HydrophobicContact CG2-CD1 3.83Å; Y861-I932 HydrophobicContact CD2-CD1 3.8Å; Y861-I932 HydrophobicContact CE2-CD1 3.46Å; Y861-I932 VanDerWaalsContact CE2-CD1 3.46Å; Y861-I932 HydrophobicContact CE2-CG1 3.76Å; S928-I932 WeakPolarHBondContact O-CG1 3.42Å; S928-I932 PolarHBondContact O-N 2.72Å; V929-I932 HydrophobicContact CG1-CD1 4.17Å; V929-I932 WeakPolarHBondContact O-CD1 3.37Å; V929-I932 VanDerWaalsContact O-CG1 3.26Å; V929-I932 WeakPolarHBondContact O-CG1 3.33Å; I932-S934 PolarHBondContact O-N 3.01Å; I932-R935 PolarHBondContact O-N 3.37Å; I932-R935 VanDerWaalsContact O-N 3.15Å; I932-F936 PolarHBondContact O-N 3.06Å; I932-D939 HydrophobicContact CG2-CB 3.7Å |
| 933 | T | 79.9 | Confident | 85.4 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.7 | -19.8 | -173.6 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | L781 N783 K931 F936 P937 D939 T940 | L781-T933 WeakPolarHBondContact O-CG2 3.16Å; N783-T933 HydrophobicContact CB-CG2 4.3Å; K931-T933 PolarHBondContact O-N 2.92Å; T933-F936 CarbonylContact O-C 3.52Å; T933-P937 WeakPolarHBondContact O-CA 3.49Å; T933-D939 WeakPolarHBondContact CA-O 3.19Å; T933-D939 WeakPolarHBondContact CB-O 3.25Å; T933-D939 PolarHBondContact OG1-O 3.04Å; T933-T940 HydrophobicContact CG2-CG2 4.46Å |
| 934 | S | 76.9 | Confident | 86 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 53% | 0.531 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -78.5 | -31.5 | 172.4 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | K931 I932 | K931-S934 WeakPolarHBondContact CA-OG 3.35Å; K931-S934 WeakPolarHBondContact CB-OG 3.41Å; K931-S934 PolarHBondContact O-N 3.25Å; K931-S934 VanDerWaalsContact O-N 3.09Å; K931-S934 PolarHBondContact O-OG 3.35Å; I932-S934 PolarHBondContact O-N 3.01Å |
| 935 | R | 77.8 | Confident | 86.6 | Confident | 102 Ų | 102 | 39 Ų | 39 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -82.3 | -35.4 | 173 | -75.2 | 178.1 | 164.3 | -172.1 | -8.4 | 111.5 | E346 K931 I932 | E346-R935 IonicContact OE1-CZ 2.87Å; E346-R935 IonicContact OE1-NH1 2.78Å; E346-R935 PolarHBondContact OE1-NH1 2.98Å; E346-R935 IonicContact OE1-NH2 3.87Å; E346-R935 PolarHBondContact OE1-NH2 2.93Å; K931-R935 HydrophobicContact CB-CG 4.3Å; K931-R935 PolarHBondContact O-N 2.82Å; I932-R935 PolarHBondContact O-N 3.37Å; I932-R935 VanDerWaalsContact O-N 3.15Å |
| 936 | F | 84.7 | Confident | 87 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 23% | 0.228 | 18% | 0.184 | C | C | . | . | trans | -137 | 89.3 | -172.7 | -55.6 | -64.2 | 0 | 0 | 0 | 110.1 | L394 I932 T933 K938 D939 | L394-F936 HydrophobicContact CD1-CE1 4.42Å; L394-F936 HydrophobicContact CD2-CE1 4.17Å; I932-F936 PolarHBondContact O-N 3.06Å; T933-F936 CarbonylContact O-C 3.52Å; F936-K938 PolarHBondContact O-N 3.3Å; F936-D939 HydrophobicContact CB-CB 3.84Å; F936-D939 PolarHBondContact O-N 3.26Å | ||
| 937 | P | 85.1 | Confident | 87.5 | Confident | 88 Ų | 88 | 35.4 Ų | 35.4 | 57% | 0.571 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.5 | -175.5 | -27.3 | 36.5 | 0 | 0 | 0 | 116.2 | T933 | T933-P937 WeakPolarHBondContact O-CA 3.49Š|
| 938 | K | 87.2 | Confident | 88 | Confident | 65 Ų | 65 | 32.3 Ų | 32.3 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -17.5 | 173.2 | -58.7 | 178.7 | 179.7 | 176.6 | 0 | 112.8 | D393 K779 G850 I851 F936 | D393-K938 HydrophobicContact CB-CD 4.39Å; D393-K938 VanDerWaalsContact OD2-CD 3.31Å; D393-K938 WeakPolarHBondContact OD2-CD 3.5Å; D393-K938 WeakPolarHBondContact OD2-CE 3.1Å; D393-K938 IonicContact OD2-NZ 3.32Å; D393-K938 PolarHBondContact OD2-NZ 3.38Å; K779-K938 PolarHBondContact NZ-O 3.01Å; G850-K938 PolarHBondContact N-O 3.49Å; I851-K938 HydrophobicContact CD1-CD 4.39Å; I851-K938 HydrophobicContact CG1-CD 3.8Å; I851-K938 HydrophobicContact CG1-CG 3.96Å; F936-K938 PolarHBondContact O-N 3.3Å |
| 939 | D | 92 | Very high | 88.3 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.3 | -170 | -74.1 | 39.6 | 0 | 0 | 0 | 108.7 | V847 S849 Y859 I932 T933 F936 | V847-D939 HydrophobicContact CG1-CB 4.01Å; S849-D939 VanDerWaalsContact CB-CG 3.48Å; S849-D939 VanDerWaalsContact CB-OD1 3.23Å; S849-D939 WeakPolarHBondContact CB-OD1 3.36Å; S849-D939 WeakPolarHBondContact CB-OD2 3.41Å; S849-D939 VanDerWaalsContact OG-CG 3.28Å; S849-D939 PolarHBondContact OG-OD1 2.93Å; S849-D939 PolarHBondContact OG-OD2 3.09Å; Y859-D939 VanDerWaalsContact CE1-OD2 3.27Å; Y859-D939 WeakPolarHBondContact CE1-OD2 3.44Å; Y859-D939 PolarHBondContact OH-OD2 2.64Å; I932-D939 HydrophobicContact CG2-CB 3.7Å; T933-D939 WeakPolarHBondContact CA-O 3.19Å; T933-D939 WeakPolarHBondContact CB-O 3.25Å; T933-D939 PolarHBondContact OG1-O 3.04Å; F936-D939 HydrophobicContact CB-CB 3.84Å; F936-D939 PolarHBondContact O-N 3.26Å |
| 940 | T | 92.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.7 | -170.9 | 60 | 0 | 0 | 0 | 0 | 109.5 | K779 L781 H848 T933 Y942 | K779-T940 WeakPolarHBondContact CE-OG1 3.32Å; K779-T940 PolarHBondContact NZ-OG1 2.59Å; L781-T940 HydrophobicContact CD2-CG2 4.05Å; H848-T940 PolarHBondContact N-O 3.22Å; H848-T940 PolarHBondContact O-N 3.45Å; H848-T940 PolarHBondContact O-OG1 2.92Å; T933-T940 HydrophobicContact CG2-CG2 4.46Å; T940-Y942 PolarHBondContact O-N 3.28Å |
| 941 | A | 94.5 | Very high | 86.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 130 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R767 L786 V845 L944 | R767-A941 WeakPolarHBondContact CD-O 3.49Å; R767-A941 PolarHBondContact NE-O 3.08Å; L786-A941 HydrophobicContact CD1-CB 3.82Å; L786-A941 HydrophobicContact CD2-CB 4.22Å; V845-A941 HydrophobicContact CG1-CB 3.64Å; A941-L944 HydrophobicContact CB-CD2 4.12Å |
| 942 | Y | 95.4 | Very high | 84.4 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | -49.7 | -168.1 | 179.2 | -130.7 | 0 | 0 | 0 | 112.9 | D524 C525 S526 T764 L765 F768 V846 Y858 T940 | D524-Y942 PolarHBondContact OD1-OH 3.09Å; D524-Y942 VanDerWaalsContact OD1-OH 3.09Å; D524-Y942 PolarHBondContact OD2-OH 3.24Å; D524-Y942 VanDerWaalsContact OD2-OH 3.07Å; C525-Y942 VanDerWaalsContact SG-CD1 3.58Å; S526-Y942 PolarHBondContact OG-OH 3.42Å; T764-Y942 HydrophobicContact CG2-CE2 3.81Å; L765-Y942 PolarHBondContact N-O 3Å; L765-Y942 WeakPolarHBondContact O-CD2 3.35Å; L765-Y942 WeakPolarHBondContact O-CE2 3.19Å; F768-Y942 AromaticContact CE2-CE2 3.65Å; F768-Y942 HydrophobicContact CE2-CE2 3.65Å; F768-Y942 AromaticContact CE2-CZ 3.84Å; F768-Y942 HydrophobicContact CZ-CE2 4.21Å; V846-Y942 PolarHBondContact O-N 3.27Å; Y858-Y942 HydrophobicContact CE1-CD1 4.07Å; T940-Y942 PolarHBondContact O-N 3.28Å |
| 943 | V | 97.1 | Very high | 81.7 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.7 | 171.1 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | L529 I762 L763 T764 V846 | L529-V943 HydrophobicContact CD2-CG1 3.96Å; I762-V943 HydrophobicContact CG2-CG1 3.74Å; L763-V943 WeakPolarHBondContact O-CA 3.28Å; T764-V943 HydrophobicContact CG2-CG2 4.38Å; V846-V943 HydrophobicContact CB-CB 4.16Å; V846-V943 HydrophobicContact CG2-CB 4.42Å; V846-V943 PolarHBondContact N-O 3.14Å; V846-V943 PolarHBondContact O-N 2.69Å |
| 944 | L | 96.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.3 | 177.5 | -46.6 | 175.4 | 0 | 0 | 0 | 109 | V718 I762 L763 L765 L786 L842 V845 A941 Y946 | V718-L944 HydrophobicContact CB-CD1 4.42Å; V718-L944 HydrophobicContact CG1-CD1 3.93Å; V718-L944 HydrophobicContact CG2-CD1 3.53Å; I762-L944 WeakPolarHBondContact CA-O 3.45Å; L763-L944 HydrophobicContact CB-CB 4.27Å; L763-L944 PolarHBondContact N-O 2.93Å; L763-L944 PolarHBondContact O-N 3.3Å; L765-L944 HydrophobicContact CD1-CD1 4.48Å; L765-L944 HydrophobicContact CD2-CD1 4.45Å; L786-L944 HydrophobicContact CD1-CD2 4.3Å; L786-L944 HydrophobicContact CD2-CD1 3.93Å; L786-L944 HydrophobicContact CD2-CD2 3.9Å; L842-L944 HydrophobicContact CD1-CB 4.44Å; V845-L944 HydrophobicContact CB-CD2 4.35Å; V845-L944 HydrophobicContact CG1-CD2 3.9Å; V845-L944 HydrophobicContact CG2-CD2 3.96Å; A941-L944 HydrophobicContact CB-CD2 4.12Å; L944-Y946 HydrophobicContact CB-CD2 4.28Å; L944-Y946 HydrophobicContact CB-CE2 3.8Å; L944-Y946 HydrophobicContact CD1-CE2 4.07Å |
| 945 | L | 96.3 | Very high | 77 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.3 | 174.5 | -170.7 | 68.7 | 0 | 0 | 0 | 108.9 | A466 F590 Y760 I762 S843 S844 | A466-L945 HydrophobicContact CB-CD2 4.16Å; F590-L945 HydrophobicContact CE1-CD1 4.25Å; Y760-L945 HydrophobicContact CD1-CD1 4.45Å; Y760-L945 HydrophobicContact CD1-CD2 4.28Å; Y760-L945 HydrophobicContact CD1-CG 4.17Å; I762-L945 HydrophobicContact CB-CD1 4.48Å; I762-L945 HydrophobicContact CD1-CD1 4.5Å; I762-L945 HydrophobicContact CG1-CD1 3.73Å; S843-L945 WeakPolarHBondContact CA-O 3.22Å; S843-L945 WeakPolarHBondContact CB-O 3.32Å; S843-L945 PolarHBondContact N-O 3.07Å; S844-L945 PolarHBondContact N-O 2.69Å; S844-L945 VanDerWaalsContact N-O 3.09Å; S844-L945 PolarHBondContact O-N 3.01Å; S844-L945 VanDerWaalsContact OG-CB 3.32Å; S844-L945 WeakPolarHBondContact OG-CB 3.35Å |
| 946 | Y | 95 | Very high | 74.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 149.4 | 173.2 | -64.8 | -109.5 | 0 | 0 | 0 | 110.6 | Y760 L761 L763 P787 L790 L841 L842 L944 | Y760-Y946 CarbonylContact C-O 3.59Å; Y760-Y946 VanDerWaalsContact CA-O 3.24Å; Y760-Y946 WeakPolarHBondContact CA-O 3.27Å; L761-Y946 PolarHBondContact N-O 3.33Å; L761-Y946 PolarHBondContact O-N 3.14Å; L763-Y946 HydrophobicContact CD1-CD2 4.2Å; L763-Y946 HydrophobicContact CD1-CE2 3.86Å; P787-Y946 PolarHBondContact O-OH 2.92Å; L790-Y946 HydrophobicContact CB-CD1 3.88Å; L790-Y946 HydrophobicContact CB-CE1 3.55Å; L790-Y946 HydrophobicContact CD2-CD2 4.36Å; L790-Y946 HydrophobicContact CD2-CE1 4.28Å; L790-Y946 HydrophobicContact CD2-CE2 4.11Å; L841-Y946 CarbonylContact O-C 3.53Å; L841-Y946 WeakPolarHBondContact O-CA 3.3Å; L842-Y946 VanDerWaalsContact CA-CD1 3.48Å; L842-Y946 HydrophobicContact CB-CD1 3.84Å; L842-Y946 HydrophobicContact CB-CE1 3.7Å; L842-Y946 HydrophobicContact CD1-CD1 4.14Å; L842-Y946 HydrophobicContact CD1-CD2 3.97Å; L842-Y946 HydrophobicContact CD1-CE1 3.84Å; L842-Y946 HydrophobicContact CD1-CE2 3.67Å; L842-Y946 HydrophobicContact CD1-CG 4.18Å; L842-Y946 HydrophobicContact CG-CE1 4.33Å; L944-Y946 HydrophobicContact CB-CD2 4.28Å; L944-Y946 HydrophobicContact CB-CE2 3.8Å; L944-Y946 HydrophobicContact CD1-CE2 4.07Å |
| 947 | K | 93.8 | Very high | 71.8 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.6 | 174.4 | -170.3 | -173.4 | -173.7 | -175.8 | 0 | 110.5 | D468 Y760 Y840 L841 I865 | D468-K947 VanDerWaalsContact OD2-CE 3.24Å; D468-K947 WeakPolarHBondContact OD2-CE 3.24Å; D468-K947 IonicContact OD2-NZ 3.69Å; D468-K947 PolarHBondContact OD2-NZ 3.05Å; Y760-K947 HydrophobicContact CD1-CB 3.97Å; Y760-K947 HydrophobicContact CD1-CG 4.13Å; Y760-K947 HydrophobicContact CE1-CB 3.71Å; Y760-K947 HydrophobicContact CE1-CD 4.02Å; Y760-K947 HydrophobicContact CE1-CG 3.66Å; Y760-K947 HydrophobicContact CE2-CG 4.47Å; Y840-K947 CarbonylContact C-O 3.55Å; Y840-K947 WeakPolarHBondContact CA-O 3.16Å; L841-K947 PolarHBondContact N-O 3.43Å; L841-K947 PolarHBondContact O-N 3.25Å; I865-K947 HydrophobicContact CB-CD 4.09Å; I865-K947 HydrophobicContact CD1-CB 4.24Å; I865-K947 HydrophobicContact CG2-CD 3.92Å; I865-K947 PolarHBondContact O-NZ 3.01Å |
| 948 | K | 92 | Very high | 69 | Low | 35 Ų | 35 | 64.6 Ų | 64.6 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 142.1 | 175.4 | -167.1 | 175.8 | -171.9 | 169.5 | 0 | 111.8 | E757 E759 V838 Y840 | E757-K948 PolarHBondContact O-NZ 3.27Å; E757-K948 VanDerWaalsContact OE1-CE 3.25Å; E757-K948 WeakPolarHBondContact OE1-CE 3.46Å; E757-K948 IonicContact OE1-NZ 2.7Å; E757-K948 PolarHBondContact OE1-NZ 3.42Å; E759-K948 WeakPolarHBondContact O-CB 3.48Å; E759-K948 PolarHBondContact O-N 2.9Å; E759-K948 WeakPolarHBondContact OE2-CD 3.48Å; V838-K948 HydrophobicContact CG1-CG 4.2Å; Y840-K948 HydrophobicContact CD1-CB 4.18Å; Y840-K948 HydrophobicContact CE1-CB 3.66Å; Y840-K948 HydrophobicContact CE1-CG 4.18Å |
| 949 | Q | 87.6 | Confident | 66.1 | Low | 80 Ų | 80 | 69.4 Ų | 69.4 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 131.3 | 167.4 | -68.9 | -174.5 | -14.4 | 0 | 0 | 110.5 | P839 L841 | P839-Q949 HydrophobicContact CB-CB 4.44Å; P839-Q949 HydrophobicContact CG-CB 4.15Å; P839-Q949 PolarHBondContact O-N 3.29Å; L841-Q949 HydrophobicContact CB-CG 4.13Å |
| 950 | H | 78.4 | Confident | 63.2 | Low | 126 Ų | 126 | 73.8 Ų | 73.8 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 122.2 | -179.3 | -65.7 | -79 | 0 | 0 | 0 | 111.3 | E759 T952 | E759-H950 VanDerWaalsContact CD-NE2 3.27Å; E759-H950 IonicContact OE1-CD2 3.62Å; E759-H950 IonicContact OE1-CE1 2.67Å; E759-H950 IonicContact OE1-NE2 2.63Å; E759-H950 PolarHBondContact OE1-NE2 2.97Å; E759-H950 IonicContact OE2-CE1 2.83Å; E759-H950 PolarHBondContact OE2-CE1 2.8Å; E759-H950 IonicContact OE2-NE2 3.91Å; E759-H950 PolarHBondContact OE2-NE2 3.22Å; H950-T952 PolarHBondContact O-N 3.08Å |
| 951 | S | 47.7 | Very low | 60.2 | Low | 93 Ų | 93 | 80.1 Ų | 80.1 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | trans | -77.6 | 109.5 | 172.9 | -31.8 | 0 | 0 | 0 | 0 | 109.6 | N953 | S951-N953 PolarHBondContact O-N 2.86Å; S951-N953 VanDerWaalsContact O-N 3.12Å | ||
| 952 | T | 36.8 | Very low | 57.1 | Low | 120 Ų | 120 | 86 Ų | 86 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | trans | -69.7 | 106.6 | -178.6 | 51 | 0 | 0 | 0 | 0 | 111.7 | H950 | H950-T952 PolarHBondContact O-N 3.08Š| ||
| 953 | N | 28.4 | Very low | 53.9 | Low | 162 Ų | 162 | 87.8 Ų | 87.8 | 87% | 0.866 | 54% | 0.537 | S | S | * | . | trans | -139.9 | 57.5 | 168.3 | -138.1 | 14.6 | 0 | 0 | 0 | 110.9 | S951 | S951-N953 PolarHBondContact O-N 2.86Å; S951-N953 VanDerWaalsContact O-N 3.12Å | ||
| 954 | S | 27.1 | Very low | 50.7 | Low | 109 Ų | 109 | 95.9 Ų | 95.9 | 76% | 0.762 | 58% | 0.579 | S | S | * | * | trans | -152.6 | 113.4 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 955 | L | 31.7 | Very low | 47.8 | Very low | 168 Ų | 168 | 104 Ų | 104 | 88% | 0.88 | 61% | 0.61 | S | S | * | * | trans | -83.1 | 144.6 | 173.1 | -77.7 | 82.3 | 0 | 0 | 0 | 111 | ||||
| 956 | S | 29.1 | Very low | 44.9 | Very low | 121 Ų | 121 | 109.3 Ų | 109.3 | 85% | 0.846 | 64% | 0.637 | S | S | * | * | trans | 64.4 | 116.6 | 160.6 | -158.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 957 | G | 23.7 | Very low | 42.5 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -158.9 | 114.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N959 | G957-N959 PolarHBondContact O-N 3.44Š| ||
| 958 | N | 25.6 | Very low | 40.4 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 83% | 0.834 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 123.4 | -167.5 | -65.4 | -37.8 | 0 | 0 | 0 | 113.6 | P960 | N958-P960 WeakPolarHBondContact O-CD 3.33Š|
| 959 | N | 26.6 | Very low | 39.1 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 89% | 0.888 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 116.9 | 166.2 | -92.8 | -23 | 0 | 0 | 0 | 110.8 | G957 | G957-N959 PolarHBondContact O-N 3.44Š|
| 960 | P | 31.1 | Very low | 38 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 148.9 | 170.4 | 32.9 | -33.3 | 0 | 0 | 0 | 112.4 | N958 | N958-P960 WeakPolarHBondContact O-CD 3.33Š|
| 961 | T | 28.8 | Very low | 37.5 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | trans | 51.4 | 97.5 | 160.8 | 52.9 | 0 | 0 | 0 | 0 | 118.1 | G963 | T961-G963 PolarHBondContact O-N 3.3Š| ||
| 962 | S | 30.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 88% | 0.881 | 65% | 0.653 | S | S | * | * | trans | -77.3 | 111.3 | 164.5 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 963 | G | 27.8 | Very low | 40.7 | Very low | 45 Ų | 45 | 105.3 Ų | 105.3 | 46% | 0.464 | 63% | 0.626 | S | S | . | * | trans | -113 | 159 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T961 W965 | T961-G963 PolarHBondContact O-N 3.3Å; G963-W965 PolarHBondContact O-N 3.26Å; G963-W965 VanDerWaalsContact O-N 3.13Å | ||
| 964 | L | 30.3 | Very low | 43 | Very low | 176 Ų | 176 | 105.1 Ų | 105.1 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | trans | -59.9 | 114.8 | -170.6 | -83.3 | 69.9 | 0 | 0 | 0 | 113.3 | ||||
| 965 | W | 36.4 | Very low | 45.5 | Very low | 171 Ų | 171 | 105.7 Ų | 105.7 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | trans | -89.3 | 115.8 | 167 | -62.7 | 65.8 | 0 | 0 | 0 | 109.1 | G963 | G963-W965 PolarHBondContact O-N 3.26Å; G963-W965 VanDerWaalsContact O-N 3.13Å | ||
| 966 | I | 34.9 | Very low | 47.9 | Very low | 122 Ų | 122 | 98 Ų | 98 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -87.7 | 124.4 | 169.3 | -62 | 175.7 | 0 | 0 | 0 | 107.7 | G968 | I966-G968 PolarHBondContact O-N 3.49Š|
| 967 | N | 44.5 | Very low | 50.4 | Low | 134 Ų | 134 | 96.5 Ų | 96.5 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 8.4 | -178.8 | -62.5 | -5.5 | 0 | 0 | 0 | 116.9 | ||
| 968 | G | 50.2 | Low | 53.2 | Low | 22 Ų | 22 | 97.6 Ų | 97.6 | 23% | 0.227 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 18.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R471 I966 | R471-G968 PolarHBondContact NE-O 3.2Å; R471-G968 PolarHBondContact NH2-O 3.38Å; I966-G968 PolarHBondContact O-N 3.49Å |
| 969 | D | 64.1 | Low | 55.8 | Low | 15 Ų | 15 | 91.8 Ų | 91.8 | 8% | 0.08 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -102.6 | 154.9 | 167.8 | -74.2 | -51.5 | 0 | 0 | 0 | 110.2 | R470 L474 | R470-D969 IonicContact CZ-OD1 3.41Å; R470-D969 IonicContact CZ-OD2 2.99Å; R470-D969 IonicContact NE-OD1 3.33Å; R470-D969 PolarHBondContact NE-OD1 2.99Å; R470-D969 IonicContact NE-OD2 2.79Å; R470-D969 PolarHBondContact NE-OD2 3.02Å; R470-D969 VanDerWaalsContact NH2-CG 3.33Å; R470-D969 IonicContact NH2-OD1 3.09Å; R470-D969 PolarHBondContact NH2-OD1 3.06Å; R470-D969 IonicContact NH2-OD2 3.46Å; R470-D969 PolarHBondContact NH2-OD2 3.45Å; L474-D969 HydrophobicContact CD1-CB 4.44Å |
| 970 | P | 65.3 | Low | 58.6 | Low | 26 Ų | 26 | 84.1 Ų | 84.1 | 17% | 0.169 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 153.9 | -179.5 | 28.7 | -35.9 | 0 | 0 | 0 | 112.4 | L474 L972 | L474-P970 HydrophobicContact CB-CG 4.16Å; P970-L972 PolarHBondContact O-N 2.87Å |
| 971 | P | 67.3 | Low | 61 | Low | 130 Ų | 130 | 83.2 Ų | 83.2 | 84% | 0.844 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 122.5 | 176.7 | 26.3 | -34.2 | 0 | 0 | 0 | 111 | ||
| 972 | L | 75.1 | Confident | 63.6 | Low | 20 Ų | 20 | 83.8 Ų | 83.8 | 11% | 0.105 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 151.1 | -177.8 | -65.1 | -176.6 | 0 | 0 | 0 | 113 | L474 A493 H497 P970 M977 I980 | L474-L972 HydrophobicContact CB-CD2 4.35Å; L474-L972 HydrophobicContact CD1-CD2 4.38Å; L474-L972 HydrophobicContact CD2-CD2 3.92Å; L474-L972 HydrophobicContact CG-CD2 4.45Å; A493-L972 HydrophobicContact CB-CD1 3.92Å; A493-L972 HydrophobicContact CB-CD2 4.25Å; H497-L972 VanDerWaalsContact CD2-CD1 3.48Å; H497-L972 WeakPolarHBondContact CD2-CD1 3.32Å; P970-L972 PolarHBondContact O-N 2.87Å; L972-M977 HydrophobicContact CB-CE 4.35Å; L972-M977 HydrophobicContact CD1-CE 4.49Å; L972-I980 HydrophobicContact CD1-CD1 3.93Å |
| 973 | Q | 76.9 | Confident | 66.2 | Low | 34 Ų | 34 | 79.1 Ų | 79.1 | 16% | 0.159 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 141.5 | 166.2 | -66.1 | -166.4 | -30 | 0 | 0 | 111.4 | N477 N479 E975 L976 M977 | N477-Q973 PolarHBondContact OD1-NE2 3.28Å; N479-Q973 PolarHBondContact OD1-NE2 3.44Å; Q973-E975 VanDerWaalsContact C-N 3.3Å; Q973-E975 PolarHBondContact O-N 3.15Å; Q973-L976 PolarHBondContact O-N 3.13Å; Q973-M977 PolarHBondContact O-N 3.04Å; Q973-M977 VanDerWaalsContact O-N 3.17Å |
| 974 | K | 77.3 | Confident | 68.9 | Low | 157 Ų | 157 | 78 Ų | 78 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -54.4 | -41.8 | -177.7 | -174.9 | 179.2 | 174.8 | -175.4 | 0 | 113.3 | L976 M977 D978 | K974-L976 VanDerWaalsContact C-N 3.29Å; K974-L976 PolarHBondContact O-N 3.09Å; K974-M977 PolarHBondContact O-N 2.93Å; K974-M977 VanDerWaalsContact O-N 3.17Å; K974-D978 VanDerWaalsContact CE-OD2 3.24Å; K974-D978 WeakPolarHBondContact CE-OD2 3.48Å; K974-D978 WeakPolarHBondContact CG-OD2 3.42Å; K974-D978 WeakPolarHBondContact O-CB 3.47Å; K974-D978 PolarHBondContact O-N 3.47Å |
| 975 | E | 78.9 | Confident | 71.2 | Confident | 121 Ų | 121 | 76 Ų | 76 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -55.6 | -41.7 | 177.9 | -65.5 | -177.4 | -177.4 | 0 | 0 | 112.7 | K486 Q973 A979 | K486-E975 IonicContact NZ-OE2 2.71Å; Q973-E975 VanDerWaalsContact C-N 3.3Å; Q973-E975 PolarHBondContact O-N 3.15Å; E975-A979 WeakPolarHBondContact O-CB 3.4Å; E975-A979 PolarHBondContact O-N 3.34Å; E975-A979 VanDerWaalsContact O-N 3.12Å |
| 976 | L | 81.3 | Confident | 73.4 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 178.4 | -65.3 | 174 | 0 | 0 | 0 | 110.9 | Q489 H490 A493 Q973 K974 A979 I980 | Q489-L976 HydrophobicContact CG-CD1 4.02Å; H490-L976 HydrophobicContact CB-CD2 4.39Å; A493-L976 HydrophobicContact CB-CD1 4.27Å; Q973-L976 PolarHBondContact O-N 3.13Å; K974-L976 VanDerWaalsContact C-N 3.29Å; K974-L976 PolarHBondContact O-N 3.09Å; L976-A979 PolarHBondContact O-N 2.9Å; L976-I980 WeakPolarHBondContact O-CB 3.28Å; L976-I980 WeakPolarHBondContact O-CD1 3.36Å; L976-I980 VanDerWaalsContact O-CG1 3.25Å; L976-I980 WeakPolarHBondContact O-CG1 3.5Å; L976-I980 PolarHBondContact O-N 3.38Å |
| 977 | M | 81.6 | Confident | 75.5 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 179.6 | -171.6 | 155.2 | -77.3 | 0 | 0 | 112.5 | L972 Q973 K974 T981 | L972-M977 HydrophobicContact CB-CE 4.35Å; L972-M977 HydrophobicContact CD1-CE 4.49Å; Q973-M977 PolarHBondContact O-N 3.04Å; Q973-M977 VanDerWaalsContact O-N 3.17Å; K974-M977 PolarHBondContact O-N 2.93Å; K974-M977 VanDerWaalsContact O-N 3.17Å; M977-T981 VanDerWaalsContact O-CB 3.26Å; M977-T981 WeakPolarHBondContact O-CB 3.45Å; M977-T981 PolarHBondContact O-N 3.48Å; M977-T981 PolarHBondContact O-OG1 3.34Å |
| 978 | D | 82 | Confident | 77.1 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 173 | -74.1 | -20.6 | 0 | 0 | 0 | 110.9 | K974 K982 | K974-D978 VanDerWaalsContact CE-OD2 3.24Å; K974-D978 WeakPolarHBondContact CE-OD2 3.48Å; K974-D978 WeakPolarHBondContact CG-OD2 3.42Å; K974-D978 WeakPolarHBondContact O-CB 3.47Å; K974-D978 PolarHBondContact O-N 3.47Å; D978-K982 WeakPolarHBondContact O-CB 3.45Å; D978-K982 PolarHBondContact O-N 2.89Å |
| 979 | A | 81.4 | Confident | 78.4 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | E975 L976 K982 D983 | E975-A979 WeakPolarHBondContact O-CB 3.4Å; E975-A979 PolarHBondContact O-N 3.34Å; E975-A979 VanDerWaalsContact O-N 3.12Å; L976-A979 PolarHBondContact O-N 2.9Å; A979-K982 WeakPolarHBondContact O-CB 3.38Å; A979-K982 PolarHBondContact O-N 3.26Å; A979-D983 PolarHBondContact O-N 3.43Å |
| 980 | I | 84.3 | Confident | 79.2 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 176.8 | -69.8 | 159.3 | 0 | 0 | 0 | 110.7 | A493 F494 H497 L972 L976 K982 D983 N984 | A493-I980 HydrophobicContact CB-CD1 3.83Å; A493-I980 WeakPolarHBondContact O-CD1 3.4Å; F494-I980 HydrophobicContact CD1-CG1 4.39Å; F494-I980 HydrophobicContact CD2-CD1 4.43Å; F494-I980 HydrophobicContact CD2-CG1 3.8Å; F494-I980 HydrophobicContact CE1-CG1 4.25Å; F494-I980 HydrophobicContact CE2-CG1 3.62Å; F494-I980 HydrophobicContact CG-CG1 4.2Å; F494-I980 HydrophobicContact CZ-CG1 3.86Å; H497-I980 HydrophobicContact CB-CD1 4.3Å; H497-I980 HydrophobicContact CB-CG2 3.88Å; H497-I980 WeakPolarHBondContact O-CG2 3.49Å; L972-I980 HydrophobicContact CD1-CD1 3.93Å; L976-I980 WeakPolarHBondContact O-CB 3.28Å; L976-I980 WeakPolarHBondContact O-CD1 3.36Å; L976-I980 VanDerWaalsContact O-CG1 3.25Å; L976-I980 WeakPolarHBondContact O-CG1 3.5Å; L976-I980 PolarHBondContact O-N 3.38Å; I980-K982 VanDerWaalsContact C-N 3.28Å; I980-K982 PolarHBondContact O-N 3.5Å; I980-D983 PolarHBondContact O-N 3.31Å; I980-N984 WeakPolarHBondContact CG2-ND2 3.48Å; I980-N984 WeakPolarHBondContact O-CB 3.34Å; I980-N984 PolarHBondContact O-N 2.89Å; I980-N984 PolarHBondContact O-ND2 2.73Å |
| 981 | T | 82.6 | Confident | 79.7 | Confident | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | M977 K985 | M977-T981 VanDerWaalsContact O-CB 3.26Å; M977-T981 WeakPolarHBondContact O-CB 3.45Å; M977-T981 PolarHBondContact O-N 3.48Å; M977-T981 PolarHBondContact O-OG1 3.34Å; T981-K985 WeakPolarHBondContact O-CB 3.38Å; T981-K985 PolarHBondContact O-N 2.85Å |
| 982 | K | 84 | Confident | 79.9 | Confident | 147 Ų | 147 | 72.2 Ų | 72.2 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 174 | -177.4 | 179.2 | 176.3 | -176.7 | 0 | 112.4 | D978 A979 I980 K985 L986 | D978-K982 WeakPolarHBondContact O-CB 3.45Å; D978-K982 PolarHBondContact O-N 2.89Å; A979-K982 WeakPolarHBondContact O-CB 3.38Å; A979-K982 PolarHBondContact O-N 3.26Å; I980-K982 VanDerWaalsContact C-N 3.28Å; I980-K982 PolarHBondContact O-N 3.5Å; K982-K985 PolarHBondContact O-N 2.89Å; K982-L986 HydrophobicContact CG-CD1 4.35Å; K982-L986 WeakPolarHBondContact O-CG 3.5Å; K982-L986 PolarHBondContact O-N 2.84Å |
| 983 | D | 83.3 | Confident | 79.9 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 15% | 0.15 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.9 | -176.1 | 57.2 | 0 | 0 | 0 | 112.3 | F494 R500 A979 I980 K985 L986 Y987 | F494-D983 HydrophobicContact CE1-CB 3.63Å; F494-D983 HydrophobicContact CZ-CB 4.04Å; R500-D983 IonicContact CZ-OD1 3.76Å; R500-D983 IonicContact CZ-OD2 2.74Å; R500-D983 IonicContact NE-OD1 2.82Å; R500-D983 PolarHBondContact NE-OD1 3.46Å; R500-D983 IonicContact NE-OD2 3.19Å; R500-D983 PolarHBondContact NE-OD2 3.16Å; R500-D983 IonicContact NH2-OD1 2.73Å; R500-D983 PolarHBondContact NH2-OD1 3.33Å; R500-D983 IonicContact NH2-OD2 3.04Å; A979-D983 PolarHBondContact O-N 3.43Å; I980-D983 PolarHBondContact O-N 3.31Å; D983-K985 PolarHBondContact O-N 3.37Å; D983-L986 CarbonylContact O-C 3.39Å; D983-L986 PolarHBondContact O-N 3.2Å; D983-Y987 WeakPolarHBondContact O-CB 3.36Å; D983-Y987 PolarHBondContact O-N 2.94Å |
| 984 | N | 84.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 175.8 | -71.3 | -20 | 0 | 0 | 0 | 111.5 | H497 T498 Q499 I980 L988 | H497-N984 PolarHBondContact O-ND2 3.23Å; H497-N984 VanDerWaalsContact O-ND2 3.11Å; T498-N984 WeakPolarHBondContact CA-OD1 3.34Å; Q499-N984 HydrophobicContact CG-CB 4.27Å; Q499-N984 PolarHBondContact N-OD1 3.33Å; I980-N984 WeakPolarHBondContact CG2-ND2 3.48Å; I980-N984 WeakPolarHBondContact O-CB 3.34Å; I980-N984 PolarHBondContact O-N 2.89Å; I980-N984 PolarHBondContact O-ND2 2.73Å; N984-L988 WeakPolarHBondContact O-CG 3.32Å; N984-L988 PolarHBondContact O-N 2.87Å; N984-L988 VanDerWaalsContact O-N 3.08Å |
| 985 | K | 79.9 | Confident | 79.3 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | 172.7 | -176.3 | 175.6 | 179.5 | 177.2 | 0 | 112.7 | T981 K982 D983 L988 Q989 | T981-K985 WeakPolarHBondContact O-CB 3.38Å; T981-K985 PolarHBondContact O-N 2.85Å; K982-K985 PolarHBondContact O-N 2.89Å; D983-K985 PolarHBondContact O-N 3.37Å; K985-L988 PolarHBondContact O-N 2.97Å; K985-Q989 WeakPolarHBondContact O-CG 3.47Å; K985-Q989 PolarHBondContact O-N 2.85Å; K985-Q989 VanDerWaalsContact O-N 3.13Å |
| 986 | L | 81.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.1 | -72.5 | 168.3 | 0 | 0 | 0 | 111.5 | K982 D983 Q989 E990 | K982-L986 HydrophobicContact CG-CD1 4.35Å; K982-L986 WeakPolarHBondContact O-CG 3.5Å; K982-L986 PolarHBondContact O-N 2.84Å; D983-L986 CarbonylContact O-C 3.39Å; D983-L986 PolarHBondContact O-N 3.2Å; L986-Q989 PolarHBondContact O-N 3.43Å; L986-E990 WeakPolarHBondContact O-CB 3.14Å; L986-E990 PolarHBondContact O-N 2.98Å |
| 987 | Y | 79.8 | Confident | 78.2 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 13% | 0.125 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.7 | 175.8 | -117.1 | 0 | 0 | 0 | 112.6 | Q499 R500 D983 Q989 E990 Q991 | Q499-Y987 HydrophobicContact CB-CD1 4.41Å; Q499-Y987 WeakPolarHBondContact O-CE1 3.07Å; R500-Y987 HydrophobicContact CG-CD1 4.1Å; R500-Y987 HydrophobicContact CG-CD2 3.76Å; R500-Y987 HydrophobicContact CG-CE1 4.48Å; R500-Y987 HydrophobicContact CG-CE2 4.15Å; R500-Y987 HydrophobicContact CG-CG 3.72Å; D983-Y987 WeakPolarHBondContact O-CB 3.36Å; D983-Y987 PolarHBondContact O-N 2.94Å; Y987-Q989 VanDerWaalsContact C-N 3.34Å; Y987-Q989 PolarHBondContact O-N 2.94Å; Y987-E990 WeakPolarHBondContact O-CB 3.42Å; Y987-E990 PolarHBondContact O-N 3.4Å; Y987-Q991 WeakPolarHBondContact O-CB 3.49Å; Y987-Q991 PolarHBondContact O-N 3.41Å |
| 988 | L | 77.8 | Confident | 77.6 | Confident | 88 Ų | 88 | 79.6 Ų | 79.6 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 173 | -73.6 | 166.7 | 0 | 0 | 0 | 111.9 | N984 K985 Q991 E992 | N984-L988 WeakPolarHBondContact O-CG 3.32Å; N984-L988 PolarHBondContact O-N 2.87Å; N984-L988 VanDerWaalsContact O-N 3.08Å; K985-L988 PolarHBondContact O-N 2.97Å; L988-Q991 PolarHBondContact O-N 3.31Å; L988-E992 VanDerWaalsContact O-CB 3.32Å; L988-E992 WeakPolarHBondContact O-CB 3.33Å; L988-E992 PolarHBondContact O-N 3.15Å |
| 989 | Q | 78.3 | Confident | 76.5 | Confident | 99 Ų | 99 | 78.2 Ų | 78.2 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 174.5 | -69.8 | 177.9 | -38.3 | 0 | 0 | 112.4 | K985 L986 Y987 E992 L993 | K985-Q989 WeakPolarHBondContact O-CG 3.47Å; K985-Q989 PolarHBondContact O-N 2.85Å; K985-Q989 VanDerWaalsContact O-N 3.13Å; L986-Q989 PolarHBondContact O-N 3.43Å; Y987-Q989 VanDerWaalsContact C-N 3.34Å; Y987-Q989 PolarHBondContact O-N 2.94Å; Q989-E992 PolarHBondContact O-N 3.13Å; Q989-L993 VanDerWaalsContact O-CB 3.3Å; Q989-L993 WeakPolarHBondContact O-CB 3.45Å; Q989-L993 PolarHBondContact O-N 3.06Å |
| 990 | E | 80.7 | Confident | 75.6 | Confident | 91 Ų | 91 | 82.7 Ų | 82.7 | 43% | 0.425 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 172.9 | -179.1 | 178.9 | -168.6 | 0 | 0 | 111.1 | R500 L986 Y987 N994 | R500-E990 IonicContact CZ-OE2 2.65Å; R500-E990 IonicContact NH1-OE2 2.7Å; R500-E990 PolarHBondContact NH1-OE2 3.06Å; R500-E990 IonicContact NH2-OE2 3.18Å; L986-E990 WeakPolarHBondContact O-CB 3.14Å; L986-E990 PolarHBondContact O-N 2.98Å; Y987-E990 WeakPolarHBondContact O-CB 3.42Å; Y987-E990 PolarHBondContact O-N 3.4Å; E990-N994 VanDerWaalsContact O-CB 3.27Å; E990-N994 WeakPolarHBondContact O-CB 3.46Å; E990-N994 VanDerWaalsContact O-CG 3.26Å; E990-N994 PolarHBondContact O-N 3.4Å; E990-N994 PolarHBondContact O-ND2 3.46Å |
| 991 | Q | 74.5 | Confident | 74.3 | Confident | 50 Ų | 50 | 88.3 Ų | 88.3 | 23% | 0.234 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 176 | -165.7 | -176.1 | 46.2 | 0 | 0 | 112 | Y987 L988 N994 A995 | Y987-Q991 WeakPolarHBondContact O-CB 3.49Å; Y987-Q991 PolarHBondContact O-N 3.41Å; L988-Q991 PolarHBondContact O-N 3.31Å; Q991-N994 PolarHBondContact O-N 3.2Å; Q991-A995 WeakPolarHBondContact O-CB 3.39Å; Q991-A995 PolarHBondContact O-N 2.68Å |
| 992 | E | 72.1 | Confident | 72.8 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.2 | -169.8 | -170.1 | 164.3 | 0 | 0 | 111.8 | L988 Q989 A995 R996 | L988-E992 VanDerWaalsContact O-CB 3.32Å; L988-E992 WeakPolarHBondContact O-CB 3.33Å; L988-E992 PolarHBondContact O-N 3.15Å; Q989-E992 PolarHBondContact O-N 3.13Å; E992-A995 PolarHBondContact O-N 3.39Å; E992-R996 VanDerWaalsContact CD-NH1 3.29Å; E992-R996 PolarHBondContact O-N 2.9Å; E992-R996 IonicContact OE1-CZ 3.9Å; E992-R996 IonicContact OE1-NH1 2.63Å; E992-R996 PolarHBondContact OE1-NH1 3.19Å; E992-R996 IonicContact OE1-NH2 2.7Å; E992-R996 PolarHBondContact OE1-NH2 3.1Å |
| 993 | L | 74.8 | Confident | 71 | Confident | 114 Ų | 114 | 83 Ų | 83 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 176 | -172.2 | 150 | 0 | 0 | 0 | 111.3 | Q989 A995 R996 A997 | Q989-L993 VanDerWaalsContact O-CB 3.3Å; Q989-L993 WeakPolarHBondContact O-CB 3.45Å; Q989-L993 PolarHBondContact O-N 3.06Å; L993-A995 VanDerWaalsContact C-N 3.26Å; L993-A995 PolarHBondContact O-N 3.4Å; L993-R996 PolarHBondContact O-N 3.36Å; L993-A997 WeakPolarHBondContact O-CB 3.47Å; L993-A997 PolarHBondContact O-N 2.7Å |
| 994 | N | 73.6 | Confident | 69.2 | Low | 76 Ų | 76 | 85.8 Ų | 85.8 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -23.2 | 175.2 | -75.9 | -36.8 | 0 | 0 | 0 | 113.3 | E990 Q991 R998 | E990-N994 VanDerWaalsContact O-CB 3.27Å; E990-N994 WeakPolarHBondContact O-CB 3.46Å; E990-N994 VanDerWaalsContact O-CG 3.26Å; E990-N994 PolarHBondContact O-N 3.4Å; E990-N994 PolarHBondContact O-ND2 3.46Å; Q991-N994 PolarHBondContact O-N 3.2Å; N994-R998 WeakPolarHBondContact O-CG 3.11Å; N994-R998 PolarHBondContact O-N 3.21Å; N994-R998 PolarHBondContact O-NE 3.03Å |
| 995 | A | 67.6 | Low | 67.1 | Low | 49 Ų | 49 | 88.4 Ų | 88.4 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.2 | -45.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q991 E992 L993 A997 R998 A999 | Q991-A995 WeakPolarHBondContact O-CB 3.39Å; Q991-A995 PolarHBondContact O-N 2.68Å; E992-A995 PolarHBondContact O-N 3.39Å; L993-A995 VanDerWaalsContact C-N 3.26Å; L993-A995 PolarHBondContact O-N 3.4Å; A995-A997 PolarHBondContact O-N 2.76Å; A995-R998 PolarHBondContact O-N 3.37Å; A995-A999 WeakPolarHBondContact O-CB 3.45Å; A995-A999 PolarHBondContact O-N 3.23Å |
| 996 | R | 68.7 | Low | 65.2 | Low | 149 Ų | 149 | 86.9 Ų | 86.9 | 56% | 0.562 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.9 | -44.2 | 174.4 | -74.4 | -173.2 | 177.2 | 107.8 | 11.4 | 112.4 | E992 L993 R998 A999 L1000 | E992-R996 VanDerWaalsContact CD-NH1 3.29Å; E992-R996 PolarHBondContact O-N 2.9Å; E992-R996 IonicContact OE1-CZ 3.9Å; E992-R996 IonicContact OE1-NH1 2.63Å; E992-R996 PolarHBondContact OE1-NH1 3.19Å; E992-R996 IonicContact OE1-NH2 2.7Å; E992-R996 PolarHBondContact OE1-NH2 3.1Å; L993-R996 PolarHBondContact O-N 3.36Å; R996-R998 PolarHBondContact O-N 3.1Å; R996-A999 PolarHBondContact O-N 3.41Å; R996-L1000 WeakPolarHBondContact O-CG 3.36Å; R996-L1000 PolarHBondContact O-N 3.34Å |
| 997 | A | 69.9 | Low | 63.1 | Low | 38 Ų | 38 | 87.7 Ų | 87.7 | 31% | 0.314 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L993 A995 A999 L1000 Q1001 | L993-A997 WeakPolarHBondContact O-CB 3.47Å; L993-A997 PolarHBondContact O-N 2.7Å; A995-A997 PolarHBondContact O-N 2.76Å; A997-A999 PolarHBondContact O-N 3.27Å; A997-L1000 PolarHBondContact O-N 3.22Å; A997-Q1001 WeakPolarHBondContact O-CG 3.44Å; A997-Q1001 PolarHBondContact O-N 3.17Å |
| 998 | R | 68.8 | Low | 60.7 | Low | 157 Ų | 157 | 91 Ų | 91 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -37.2 | 176 | -77.2 | -180 | -72.3 | 169.7 | -4.4 | 113 | N994 A995 R996 Q1001 A1002 | N994-R998 WeakPolarHBondContact O-CG 3.11Å; N994-R998 PolarHBondContact O-N 3.21Å; N994-R998 PolarHBondContact O-NE 3.03Å; A995-R998 PolarHBondContact O-N 3.37Å; R996-R998 PolarHBondContact O-N 3.1Å; R998-Q1001 PolarHBondContact O-N 2.88Å; R998-A1002 WeakPolarHBondContact O-CB 3.34Å; R998-A1002 PolarHBondContact O-N 3.41Å |
| 999 | A | 58.5 | Low | 58.5 | Low | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A995 R996 A997 A1002 A1003 | A995-A999 WeakPolarHBondContact O-CB 3.45Å; A995-A999 PolarHBondContact O-N 3.23Å; R996-A999 PolarHBondContact O-N 3.41Å; A997-A999 PolarHBondContact O-N 3.27Å; A999-A1002 PolarHBondContact O-N 2.84Å; A999-A1003 PolarHBondContact O-N 3.04Å |
| 1000 | L | 62.6 | Low | 56.2 | Low | 127 Ų | 127 | 103 Ų | 103 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -40.7 | 174.9 | -69.5 | 167.8 | 0 | 0 | 0 | 112 | R996 A997 A1003 S1004 | R996-L1000 WeakPolarHBondContact O-CG 3.36Å; R996-L1000 PolarHBondContact O-N 3.34Å; A997-L1000 PolarHBondContact O-N 3.22Å; L1000-A1003 PolarHBondContact O-N 3.37Å; L1000-S1004 PolarHBondContact O-N 3.13Å; L1000-S1004 VanDerWaalsContact O-N 3.08Å |
| 1001 | Q | 56.6 | Low | 54.1 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.2 | -47.5 | 174.2 | -73.5 | 172.2 | -34.4 | 0 | 0 | 111.7 | A997 R998 A1003 S1004 A1005 | A997-Q1001 WeakPolarHBondContact O-CG 3.44Å; A997-Q1001 PolarHBondContact O-N 3.17Å; R998-Q1001 PolarHBondContact O-N 2.88Å; Q1001-A1003 VanDerWaalsContact C-N 3.31Å; Q1001-A1003 PolarHBondContact O-N 3.31Å; Q1001-S1004 PolarHBondContact O-N 3.07Å; Q1001-S1004 VanDerWaalsContact O-N 3.11Å; Q1001-S1004 PolarHBondContact O-OG 3.32Å; Q1001-A1005 PolarHBondContact O-N 3.23Å |
| 1002 | A | 51.8 | Low | 52.1 | Low | 61 Ų | 61 | 109.5 Ų | 109.5 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.7 | -37 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R998 A999 A1005 S1006 | R998-A1002 WeakPolarHBondContact O-CB 3.34Å; R998-A1002 PolarHBondContact O-N 3.41Å; A999-A1002 PolarHBondContact O-N 2.84Å; A1002-A1005 PolarHBondContact O-N 3.42Å; A1002-S1006 PolarHBondContact O-OG 2.73Å |
| 1003 | A | 46.5 | Very low | 50.1 | Low | 60 Ų | 60 | 108.6 Ų | 108.6 | 50% | 0.496 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.9 | -45.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A999 L1000 Q1001 A1005 S1006 | A999-A1003 PolarHBondContact O-N 3.04Å; L1000-A1003 PolarHBondContact O-N 3.37Å; Q1001-A1003 VanDerWaalsContact C-N 3.31Å; Q1001-A1003 PolarHBondContact O-N 3.31Å; A1003-A1005 VanDerWaalsContact C-N 3.35Å; A1003-A1005 PolarHBondContact O-N 3.16Å; A1003-S1006 PolarHBondContact O-N 3.5Å |
| 1004 | S | 43.8 | Very low | 48.1 | Very low | 87 Ų | 87 | 112.2 Ų | 112.2 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.6 | -31.5 | 178.5 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | L1000 Q1001 S1006 | L1000-S1004 PolarHBondContact O-N 3.13Å; L1000-S1004 VanDerWaalsContact O-N 3.08Å; Q1001-S1004 PolarHBondContact O-N 3.07Å; Q1001-S1004 VanDerWaalsContact O-N 3.11Å; Q1001-S1004 PolarHBondContact O-OG 3.32Å; S1004-S1006 PolarHBondContact O-N 3.35Å |
| 1005 | A | 41.7 | Very low | 46.4 | Very low | 77 Ų | 77 | 115.6 Ų | 115.6 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70 | -15.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1001 A1002 A1003 C1007 | Q1001-A1005 PolarHBondContact O-N 3.23Å; A1002-A1005 PolarHBondContact O-N 3.42Å; A1003-A1005 VanDerWaalsContact C-N 3.35Å; A1003-A1005 PolarHBondContact O-N 3.16Å; A1005-C1007 VanDerWaalsContact C-N 3.26Å; A1005-C1007 PolarHBondContact O-N 3.2Å |
| 1006 | S | 40 | Very low | 45 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 5.3 | -178 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | A1002 A1003 S1004 | A1002-S1006 PolarHBondContact O-OG 2.73Å; A1003-S1006 PolarHBondContact O-N 3.5Å; S1004-S1006 PolarHBondContact O-N 3.35Å |
| 1007 | C | 36.5 | Very low | 43.4 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | trans | -118.6 | 47.5 | -168.2 | -64.6 | 0 | 0 | 0 | 0 | 114.3 | A1005 | A1005-C1007 VanDerWaalsContact C-N 3.26Å; A1005-C1007 PolarHBondContact O-N 3.2Å | ||
| 1008 | S | 30.8 | Very low | 41.6 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -109.7 | 104.7 | 173.3 | 65.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1009 | F | 30.6 | Very low | 41.2 | Very low | 205 Ų | 205 | 122.8 Ų | 122.8 | 90% | 0.899 | 71% | 0.712 | S | S | * | * | trans | 1 | 123.9 | 162 | -74.7 | -99.1 | 0 | 0 | 0 | 119.1 | ||||
| 1010 | R | 30.1 | Very low | 40.9 | Very low | 234 Ų | 234 | 125.6 Ų | 125.6 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 132.8 | 146.3 | -73.3 | -173.6 | 174.7 | -165.7 | -1.3 | 109.1 | ||
| 1011 | P | 37 | Very low | 39.3 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 161.5 | 169.6 | 32.3 | -33.5 | 0 | 0 | 0 | 111.9 | ||
| 1012 | N | 33.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 148.9 | -166.4 | -62.2 | -11.2 | 0 | 0 | 0 | 115 | ||
| 1013 | G | 29.9 | Very low | 37.3 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -125.6 | 139.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1014 | F | 33 | Very low | 36.5 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -76.8 | 143.2 | -177.7 | -79.6 | -118.4 | 0 | 0 | 0 | 111.3 | ||||
| 1015 | D | 35.8 | Very low | 37.1 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | -168.5 | 129.7 | 100.8 | -107.5 | -3.8 | 0 | 0 | 0 | 114.5 | |||||
| 1016 | D | 38.7 | Very low | 36.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 62.6 | 130.6 | 134.8 | -109 | 30.9 | 0 | 0 | 0 | 126.3 | ||||
| 1017 | N | 35.5 | Very low | 36.4 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 81.3 | 101.7 | 153.5 | -60.6 | -61.9 | 0 | 0 | 0 | 122.4 | ||||
| 1018 | D | 31.7 | Very low | 36.1 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -90.9 | 171.3 | 162.3 | -97.9 | -41.6 | 0 | 0 | 0 | 112.4 | ||||
| 1019 | P | 61.4 | Low | 36.1 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | cis | -123.8 | -89.1 | -40.9 | 32.1 | -11.7 | 0 | 0 | 0 | 109.2 | ||||
| 1020 | P | 50.8 | Low | 36.1 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | cis | -102.5 | 168.3 | -44.4 | 40.9 | -30.5 | 0 | 0 | 0 | 113.6 | ||||
| 1021 | G | 30.1 | Very low | 36.1 | Very low | 79 Ų | 79 | 116.7 Ų | 116.7 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 165.4 | 64.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1022 | S | 31.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -55.7 | 140.1 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1023 | C | 34.8 | Very low | 35.6 | Very low | 133 Ų | 133 | 110.9 Ų | 110.9 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -149 | 134.4 | 142.2 | -135.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1024 | G | 29.9 | Very low | 35.7 | Very low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | -104.9 | -158 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1025 | P | 56.1 | Low | 35.6 | Very low | 121 Ų | 121 | 114.7 Ų | 114.7 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -121.9 | 172.4 | -139.7 | 42.4 | -32.9 | 0 | 0 | 0 | 115.2 | ||||
| 1026 | T | 32.9 | Very low | 35.4 | Very low | 156 Ų | 156 | 114 Ų | 114 | 96% | 0.957 | 82% | 0.819 | S | S | * | * | trans | -179.7 | 162.2 | 137.5 | 20.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1027 | G | 33 | Very low | 35.1 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | 120.9 | 89.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1028 | G | 31 | Very low | 34.9 | Very low | 86 Ų | 86 | 110.8 Ų | 110.8 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -109.2 | 168.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1029 | G | 31.1 | Very low | 35 | Very low | 83 Ų | 83 | 114.9 Ų | 114.9 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 175.9 | 70.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1030 | G | 30.1 | Very low | 33.5 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 74.9 | 104.9 | 133.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1031 | G | 30.5 | Very low | 32.5 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | 82.1 | 146 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1032 | G | 29.9 | Very low | 32.5 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | cis | 141.6 | 112.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1033 | G | 30 | Very low | 32.6 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 73% | 0.732 | 84% | 0.843 | S | S | * | * | trans | 172.6 | 101.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1034 | F | 31.6 | Very low | 32.5 | Very low | 201 Ų | 201 | 126 Ų | 126 | 88% | 0.882 | 84% | 0.84 | S | S | * | * | trans | 20.9 | 110.6 | 153.3 | -67.1 | -86.6 | 0 | 0 | 0 | 121.5 | ||||
| 1035 | N | 32.1 | Very low | 32.6 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 85% | 0.85 | S | S | * | * | 28.6 | 142 | 118.6 | -79.9 | -2.4 | 0 | 0 | 0 | 122.2 | |||||
| 1036 | T | 31.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | trans | 65.3 | 102.4 | 148.6 | 50.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1037 | V | 31.4 | Very low | 31.1 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 92% | 0.915 | 85% | 0.848 | S | S | * | * | trans | -118 | 127.8 | 138.3 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1038 | G | 31.7 | Very low | 31 | Very low | 59 Ų | 59 | 131.4 Ų | 131.4 | 61% | 0.608 | 85% | 0.848 | S | S | * | * | trans | -97.4 | 144.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1040 | G1038-L1040 PolarHBondContact O-N 2.66Š| ||
| 1039 | R | 34.1 | Very low | 31 | Very low | 243 Ų | 243 | 134.6 Ų | 134.6 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | trans | 19.3 | 90.3 | 141.2 | -166.9 | -175 | -161.3 | 174.7 | 6 | 115.9 | ||||
| 1040 | L | 29.3 | Very low | 31 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -96.5 | 141.3 | 158.3 | -106 | 164.4 | 0 | 0 | 0 | 109.6 | G1038 | G1038-L1040 PolarHBondContact O-N 2.66Š| ||
| 1041 | V | 29.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 64% | 0.642 | 84% | 0.843 | S | S | * | * | trans | -104.1 | 134.7 | -177.8 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1042 | F | 31.3 | Very low | 31.1 | Very low | 275 Ų | 275 | 148.4 Ų | 148.4 | 100% | 1.206 | 84% | 0.838 | S | S | * | * | trans | -147.2 | 0 | 147.1 | -89.2 | -68.2 | 0 | 0 | 0 | 108.6 |
Retrieved 1,042 of 1,042 residues in 1160.1 ms
(Link to these results)